USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1005 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 87 LYS NZ :NH3+ -149:sc= 1.82 (180deg=1.19) USER MOD Set 1.2: A 136 THR OG1 : rot 78:sc= 1.5 USER MOD Set 2.1: A 46 THR OG1 : rot 99:sc= 2.28 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.357 X(o=4.4,f=4.3) USER MOD Set 2.3: A 77 SER OG : rot 180:sc= 0.771 USER MOD Set 2.4: A 80 LYS NZ :NH3+ -143:sc= 1.5 (180deg=0) USER MOD Set 2.5: A 81 TYR OH : rot 11:sc= 0.203 USER MOD Set 3.1: A 70 TYR OH : rot 180:sc= 0.138 USER MOD Set 3.2: A 105 GLN : amide:sc= 0.191 X(o=0.33,f=0.076) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 5 HIS : no HE2:sc= 1.2 K(o=1.2,f=-3.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 74:sc= 1.19 USER MOD Single : A 13 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 102:sc= 1.32 USER MOD Single : A 23 HIS : no HD1:sc= -0.0942 X(o=-0.094,f=-0.18) USER MOD Single : A 28 GLN : amide:sc= 0.967 K(o=0.97,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= 3.25 (180deg=2.33) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 1.05 (180deg=1.02) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0577 F(o=-1,f=-0.058) USER MOD Single : A 42 SER OG : rot 65:sc= 1.27 USER MOD Single : A 44 SER OG : rot 67:sc= 0.515 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.16) USER MOD Single : A 54 SER OG : rot -130:sc= 0.0127 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 64 ASN : amide:sc= 0.818 K(o=0.82,f=0) USER MOD Single : A 67 SER OG : rot 160:sc= 0.0459 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.04) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 1.27 K(o=1.3,f=-4!) USER MOD Single : A 85 SER OG : rot -74:sc= 0.887 USER MOD Single : A 89 SER OG : rot 66:sc= 1.23 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -0.181 USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= 1.24 (180deg=0.948) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.21) USER MOD Single : A 107 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.6) USER MOD Single : A 131 SER OG : rot 67:sc= 1.21 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASN A 4 4.888 7.964 6.241 1.00 0.00 N ATOM 53 CA ASN A 4 5.471 9.252 6.620 1.00 0.00 C ATOM 54 C ASN A 4 6.703 9.126 7.513 1.00 0.00 C ATOM 55 O ASN A 4 7.706 9.777 7.234 1.00 0.00 O ATOM 56 CB ASN A 4 4.421 10.137 7.308 1.00 0.00 C ATOM 57 CG ASN A 4 5.037 11.456 7.773 1.00 0.00 C ATOM 58 OD1 ASN A 4 5.366 11.620 8.945 1.00 0.00 O ATOM 59 ND2 ASN A 4 5.216 12.414 6.879 1.00 0.00 N ATOM 0 HA ASN A 4 5.801 9.716 5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.601 10.338 6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.997 9.608 8.162 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.632 13.302 7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.938 12.265 5.909 1.00 0.00 H new ATOM 66 N HIS A 5 6.653 8.287 8.554 1.00 0.00 N ATOM 67 CA HIS A 5 7.736 8.206 9.532 1.00 0.00 C ATOM 68 C HIS A 5 9.044 7.740 8.886 1.00 0.00 C ATOM 69 O HIS A 5 10.104 8.294 9.172 1.00 0.00 O ATOM 70 CB HIS A 5 7.342 7.264 10.680 1.00 0.00 C ATOM 71 CG HIS A 5 8.381 7.188 11.773 1.00 0.00 C ATOM 72 ND1 HIS A 5 9.449 6.316 11.840 1.00 0.00 N ATOM 73 CD2 HIS A 5 8.457 7.999 12.875 1.00 0.00 C ATOM 74 CE1 HIS A 5 10.148 6.598 12.950 1.00 0.00 C ATOM 75 NE2 HIS A 5 9.581 7.617 13.624 1.00 0.00 N ATOM 0 H HIS A 5 5.873 7.656 8.738 1.00 0.00 H new ATOM 0 HA HIS A 5 7.902 9.207 9.931 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.398 7.600 11.109 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.173 6.265 10.279 1.00 0.00 H new ATOM 0 HD1 HIS A 5 9.669 5.585 11.164 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.771 8.795 13.124 1.00 0.00 H new ATOM 0 HE1 HIS A 5 11.043 6.079 13.261 1.00 0.00 H new ATOM 83 N GLU A 6 8.984 6.741 8.001 1.00 0.00 N ATOM 84 CA GLU A 6 10.203 6.176 7.429 1.00 0.00 C ATOM 85 C GLU A 6 10.745 7.110 6.349 1.00 0.00 C ATOM 86 O GLU A 6 11.954 7.282 6.219 1.00 0.00 O ATOM 87 CB GLU A 6 9.971 4.767 6.868 1.00 0.00 C ATOM 88 CG GLU A 6 9.574 3.736 7.936 1.00 0.00 C ATOM 89 CD GLU A 6 10.585 3.641 9.092 1.00 0.00 C ATOM 90 OE1 GLU A 6 11.591 2.907 8.968 1.00 0.00 O ATOM 91 OE2 GLU A 6 10.361 4.292 10.137 1.00 0.00 O ATOM 0 H GLU A 6 8.118 6.314 7.671 1.00 0.00 H new ATOM 0 HA GLU A 6 10.941 6.082 8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.189 4.811 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.880 4.430 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.595 3.998 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.475 2.757 7.467 1.00 0.00 H new ATOM 98 N ILE A 7 9.859 7.763 5.602 1.00 0.00 N ATOM 99 CA ILE A 7 10.266 8.731 4.601 1.00 0.00 C ATOM 100 C ILE A 7 10.932 9.931 5.296 1.00 0.00 C ATOM 101 O ILE A 7 12.002 10.369 4.872 1.00 0.00 O ATOM 102 CB ILE A 7 9.012 9.080 3.762 1.00 0.00 C ATOM 103 CG1 ILE A 7 8.498 7.877 2.929 1.00 0.00 C ATOM 104 CG2 ILE A 7 9.192 10.301 2.849 1.00 0.00 C ATOM 105 CD1 ILE A 7 9.445 7.333 1.848 1.00 0.00 C ATOM 0 H ILE A 7 8.850 7.635 5.676 1.00 0.00 H new ATOM 0 HA ILE A 7 11.019 8.344 3.914 1.00 0.00 H new ATOM 0 HB ILE A 7 8.260 9.340 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.262 7.064 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.565 8.170 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.270 10.480 2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.428 11.176 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.006 10.115 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.971 6.495 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.665 8.120 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.372 6.997 2.312 1.00 0.00 H new ATOM 117 N ASP A 8 10.345 10.438 6.384 1.00 0.00 N ATOM 118 CA ASP A 8 10.854 11.607 7.102 1.00 0.00 C ATOM 119 C ASP A 8 12.169 11.316 7.823 1.00 0.00 C ATOM 120 O ASP A 8 13.072 12.158 7.818 1.00 0.00 O ATOM 121 CB ASP A 8 9.812 12.078 8.123 1.00 0.00 C ATOM 122 CG ASP A 8 10.340 13.257 8.955 1.00 0.00 C ATOM 123 OD1 ASP A 8 10.368 14.398 8.441 1.00 0.00 O ATOM 124 OD2 ASP A 8 10.683 13.058 10.142 1.00 0.00 O ATOM 0 H ASP A 8 9.497 10.045 6.793 1.00 0.00 H new ATOM 0 HA ASP A 8 11.044 12.386 6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.900 12.375 7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.548 11.253 8.784 1.00 0.00 H new ATOM 129 N THR A 9 12.309 10.126 8.417 1.00 0.00 N ATOM 130 CA THR A 9 13.534 9.760 9.116 1.00 0.00 C ATOM 131 C THR A 9 14.667 9.582 8.095 1.00 0.00 C ATOM 132 O THR A 9 15.794 10.011 8.361 1.00 0.00 O ATOM 133 CB THR A 9 13.282 8.538 10.031 1.00 0.00 C ATOM 134 OG1 THR A 9 14.170 8.532 11.132 1.00 0.00 O ATOM 135 CG2 THR A 9 13.392 7.185 9.325 1.00 0.00 C ATOM 0 H THR A 9 11.588 9.405 8.425 1.00 0.00 H new ATOM 0 HA THR A 9 13.857 10.555 9.788 1.00 0.00 H new ATOM 0 HB THR A 9 12.249 8.656 10.360 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.988 7.751 11.695 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.201 6.385 10.040 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.660 7.134 8.519 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.394 7.071 8.912 1.00 0.00 H new ATOM 143 N ILE A 10 14.381 9.030 6.906 1.00 0.00 N ATOM 144 CA ILE A 10 15.361 8.939 5.831 1.00 0.00 C ATOM 145 C ILE A 10 15.766 10.347 5.414 1.00 0.00 C ATOM 146 O ILE A 10 16.961 10.630 5.401 1.00 0.00 O ATOM 147 CB ILE A 10 14.819 8.089 4.656 1.00 0.00 C ATOM 148 CG1 ILE A 10 14.867 6.600 5.064 1.00 0.00 C ATOM 149 CG2 ILE A 10 15.618 8.327 3.358 1.00 0.00 C ATOM 150 CD1 ILE A 10 14.113 5.691 4.091 1.00 0.00 C ATOM 0 H ILE A 10 13.469 8.639 6.671 1.00 0.00 H new ATOM 0 HA ILE A 10 16.255 8.422 6.180 1.00 0.00 H new ATOM 0 HB ILE A 10 13.791 8.387 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.907 6.278 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.442 6.488 6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.205 7.712 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.552 9.378 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.662 8.060 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.182 4.658 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.066 5.990 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.553 5.777 3.098 1.00 0.00 H new ATOM 162 N LEU A 11 14.815 11.240 5.112 1.00 0.00 N ATOM 163 CA LEU A 11 15.159 12.563 4.592 1.00 0.00 C ATOM 164 C LEU A 11 16.033 13.330 5.581 1.00 0.00 C ATOM 165 O LEU A 11 17.005 13.972 5.190 1.00 0.00 O ATOM 166 CB LEU A 11 13.900 13.385 4.257 1.00 0.00 C ATOM 167 CG LEU A 11 13.875 13.961 2.830 1.00 0.00 C ATOM 168 CD1 LEU A 11 15.169 14.669 2.392 1.00 0.00 C ATOM 169 CD2 LEU A 11 13.512 12.866 1.820 1.00 0.00 C ATOM 0 H LEU A 11 13.815 11.071 5.218 1.00 0.00 H new ATOM 0 HA LEU A 11 15.721 12.409 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.022 12.754 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.818 14.207 4.968 1.00 0.00 H new ATOM 0 HG LEU A 11 13.109 14.736 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.054 15.040 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.371 15.504 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.000 13.964 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.498 13.288 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.252 12.067 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.527 12.463 2.058 1.00 0.00 H new ATOM 181 N SER A 12 15.696 13.240 6.866 1.00 0.00 N ATOM 182 CA SER A 12 16.472 13.844 7.931 1.00 0.00 C ATOM 183 C SER A 12 17.841 13.200 8.021 1.00 0.00 C ATOM 184 O SER A 12 18.824 13.928 7.991 1.00 0.00 O ATOM 185 CB SER A 12 15.703 13.743 9.256 1.00 0.00 C ATOM 186 OG SER A 12 14.374 14.219 9.111 1.00 0.00 O ATOM 0 H SER A 12 14.869 12.740 7.193 1.00 0.00 H new ATOM 0 HA SER A 12 16.627 14.901 7.712 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.687 12.707 9.593 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.218 14.320 10.024 1.00 0.00 H new ATOM 0 HG SER A 12 13.844 13.563 8.611 1.00 0.00 H new ATOM 192 N THR A 13 17.954 11.875 8.063 1.00 0.00 N ATOM 193 CA THR A 13 19.259 11.247 8.193 1.00 0.00 C ATOM 194 C THR A 13 20.148 11.594 6.995 1.00 0.00 C ATOM 195 O THR A 13 21.311 11.938 7.186 1.00 0.00 O ATOM 196 CB THR A 13 19.117 9.732 8.377 1.00 0.00 C ATOM 197 OG1 THR A 13 18.257 9.438 9.461 1.00 0.00 O ATOM 198 CG2 THR A 13 20.505 9.156 8.655 1.00 0.00 C ATOM 0 H THR A 13 17.169 11.226 8.010 1.00 0.00 H new ATOM 0 HA THR A 13 19.746 11.639 9.086 1.00 0.00 H new ATOM 0 HB THR A 13 18.689 9.293 7.476 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.328 9.605 9.196 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.431 8.077 8.790 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.164 9.372 7.814 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.912 9.608 9.560 1.00 0.00 H new ATOM 206 N LEU A 14 19.597 11.567 5.781 1.00 0.00 N ATOM 207 CA LEU A 14 20.296 11.993 4.576 1.00 0.00 C ATOM 208 C LEU A 14 20.817 13.411 4.769 1.00 0.00 C ATOM 209 O LEU A 14 22.017 13.614 4.643 1.00 0.00 O ATOM 210 CB LEU A 14 19.369 11.915 3.350 1.00 0.00 C ATOM 211 CG LEU A 14 19.046 10.479 2.899 1.00 0.00 C ATOM 212 CD1 LEU A 14 17.873 10.502 1.924 1.00 0.00 C ATOM 213 CD2 LEU A 14 20.229 9.802 2.202 1.00 0.00 C ATOM 0 H LEU A 14 18.644 11.245 5.609 1.00 0.00 H new ATOM 0 HA LEU A 14 21.138 11.324 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.437 12.431 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.834 12.449 2.521 1.00 0.00 H new ATOM 0 HG LEU A 14 18.806 9.912 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.645 9.485 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.000 10.933 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.135 11.105 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.947 8.792 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.508 10.376 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.076 9.755 2.886 1.00 0.00 H new ATOM 225 N ARG A 15 19.959 14.368 5.144 1.00 0.00 N ATOM 226 CA ARG A 15 20.381 15.751 5.390 1.00 0.00 C ATOM 227 C ARG A 15 21.487 15.815 6.446 1.00 0.00 C ATOM 228 O ARG A 15 22.473 16.520 6.241 1.00 0.00 O ATOM 229 CB ARG A 15 19.190 16.620 5.826 1.00 0.00 C ATOM 230 CG ARG A 15 18.221 17.022 4.701 1.00 0.00 C ATOM 231 CD ARG A 15 16.946 17.572 5.356 1.00 0.00 C ATOM 232 NE ARG A 15 16.050 18.262 4.411 1.00 0.00 N ATOM 233 CZ ARG A 15 14.730 18.083 4.293 1.00 0.00 C ATOM 234 NH1 ARG A 15 14.099 17.097 4.925 1.00 0.00 N ATOM 235 NH2 ARG A 15 14.032 18.912 3.536 1.00 0.00 N ATOM 0 H ARG A 15 18.962 14.207 5.284 1.00 0.00 H new ATOM 0 HA ARG A 15 20.776 16.142 4.452 1.00 0.00 H new ATOM 0 HB2 ARG A 15 18.630 16.082 6.590 1.00 0.00 H new ATOM 0 HB3 ARG A 15 19.575 17.527 6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 15 18.675 17.775 4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 15 17.988 16.163 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 15 16.404 16.750 5.824 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.225 18.264 6.151 1.00 0.00 H new ATOM 0 HE ARG A 15 16.479 18.943 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.623 16.454 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.091 16.984 4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.501 19.677 3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.025 18.787 3.437 1.00 0.00 H new ATOM 249 N MET A 16 21.347 15.100 7.566 1.00 0.00 N ATOM 250 CA MET A 16 22.367 15.127 8.624 1.00 0.00 C ATOM 251 C MET A 16 23.723 14.598 8.157 1.00 0.00 C ATOM 252 O MET A 16 24.762 15.164 8.498 1.00 0.00 O ATOM 253 CB MET A 16 21.926 14.334 9.858 1.00 0.00 C ATOM 254 CG MET A 16 20.694 14.991 10.466 1.00 0.00 C ATOM 255 SD MET A 16 20.236 14.437 12.132 1.00 0.00 S ATOM 256 CE MET A 16 19.743 12.730 11.771 1.00 0.00 C ATOM 0 H MET A 16 20.546 14.500 7.765 1.00 0.00 H new ATOM 0 HA MET A 16 22.480 16.179 8.886 1.00 0.00 H new ATOM 0 HB2 MET A 16 21.703 13.303 9.581 1.00 0.00 H new ATOM 0 HB3 MET A 16 22.733 14.300 10.590 1.00 0.00 H new ATOM 0 HG2 MET A 16 20.859 16.068 10.495 1.00 0.00 H new ATOM 0 HG3 MET A 16 19.848 14.816 9.801 1.00 0.00 H new ATOM 0 HE1 MET A 16 19.430 12.239 12.692 1.00 0.00 H new ATOM 0 HE2 MET A 16 18.915 12.733 11.062 1.00 0.00 H new ATOM 0 HE3 MET A 16 20.587 12.191 11.341 1.00 0.00 H new ATOM 266 N GLU A 17 23.716 13.502 7.404 1.00 0.00 N ATOM 267 CA GLU A 17 24.926 12.813 6.968 1.00 0.00 C ATOM 268 C GLU A 17 25.574 13.549 5.787 1.00 0.00 C ATOM 269 O GLU A 17 26.788 13.468 5.585 1.00 0.00 O ATOM 270 CB GLU A 17 24.543 11.388 6.544 1.00 0.00 C ATOM 271 CG GLU A 17 24.047 10.495 7.684 1.00 0.00 C ATOM 272 CD GLU A 17 25.175 9.765 8.430 1.00 0.00 C ATOM 273 OE1 GLU A 17 25.995 10.417 9.115 1.00 0.00 O ATOM 274 OE2 GLU A 17 25.227 8.516 8.341 1.00 0.00 O ATOM 0 H GLU A 17 22.857 13.061 7.075 1.00 0.00 H new ATOM 0 HA GLU A 17 25.646 12.787 7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.766 11.446 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.409 10.916 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.488 11.104 8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.353 9.758 7.281 1.00 0.00 H new ATOM 281 N ALA A 18 24.758 14.251 5.000 1.00 0.00 N ATOM 282 CA ALA A 18 25.134 14.919 3.780 1.00 0.00 C ATOM 283 C ALA A 18 26.031 16.127 4.029 1.00 0.00 C ATOM 284 O ALA A 18 25.907 16.840 5.028 1.00 0.00 O ATOM 285 CB ALA A 18 23.833 15.378 3.117 1.00 0.00 C ATOM 0 H ALA A 18 23.769 14.367 5.219 1.00 0.00 H new ATOM 0 HA ALA A 18 25.704 14.234 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 18 24.062 15.893 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 18 23.205 14.512 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 18 23.304 16.057 3.785 1.00 0.00 H new ATOM 291 N ASP A 19 26.917 16.361 3.067 1.00 0.00 N ATOM 292 CA ASP A 19 27.699 17.592 2.985 1.00 0.00 C ATOM 293 C ASP A 19 26.712 18.738 2.696 1.00 0.00 C ATOM 294 O ASP A 19 25.803 18.540 1.881 1.00 0.00 O ATOM 295 CB ASP A 19 28.724 17.476 1.851 1.00 0.00 C ATOM 296 CG ASP A 19 29.559 18.756 1.708 1.00 0.00 C ATOM 297 OD1 ASP A 19 29.061 19.735 1.112 1.00 0.00 O ATOM 298 OD2 ASP A 19 30.713 18.778 2.192 1.00 0.00 O ATOM 0 H ASP A 19 27.115 15.699 2.317 1.00 0.00 H new ATOM 0 HA ASP A 19 28.240 17.778 3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 19 29.384 16.630 2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 19 28.208 17.272 0.913 1.00 0.00 H new ATOM 303 N PRO A 20 26.840 19.928 3.311 1.00 0.00 N ATOM 304 CA PRO A 20 25.846 20.989 3.168 1.00 0.00 C ATOM 305 C PRO A 20 25.663 21.484 1.727 1.00 0.00 C ATOM 306 O PRO A 20 24.594 22.006 1.402 1.00 0.00 O ATOM 307 CB PRO A 20 26.272 22.106 4.127 1.00 0.00 C ATOM 308 CG PRO A 20 27.757 21.840 4.368 1.00 0.00 C ATOM 309 CD PRO A 20 27.857 20.320 4.274 1.00 0.00 C ATOM 0 HA PRO A 20 24.858 20.606 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 20 26.109 23.091 3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 20 25.704 22.072 5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 20 28.381 22.332 3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 20 28.079 22.205 5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 20 28.849 20.011 3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 20 27.682 19.853 5.243 1.00 0.00 H new ATOM 317 N SER A 21 26.643 21.283 0.840 1.00 0.00 N ATOM 318 CA SER A 21 26.524 21.625 -0.577 1.00 0.00 C ATOM 319 C SER A 21 25.384 20.852 -1.259 1.00 0.00 C ATOM 320 O SER A 21 24.865 21.295 -2.284 1.00 0.00 O ATOM 321 CB SER A 21 27.848 21.335 -1.302 1.00 0.00 C ATOM 322 OG SER A 21 28.972 21.712 -0.529 1.00 0.00 O ATOM 0 H SER A 21 27.545 20.876 1.088 1.00 0.00 H new ATOM 0 HA SER A 21 26.293 22.688 -0.638 1.00 0.00 H new ATOM 0 HB2 SER A 21 27.908 20.272 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 21 27.866 21.870 -2.252 1.00 0.00 H new ATOM 0 HG SER A 21 29.369 20.915 -0.119 1.00 0.00 H new ATOM 328 N LEU A 22 24.996 19.694 -0.709 1.00 0.00 N ATOM 329 CA LEU A 22 23.996 18.806 -1.294 1.00 0.00 C ATOM 330 C LEU A 22 22.570 19.233 -0.949 1.00 0.00 C ATOM 331 O LEU A 22 21.634 18.759 -1.593 1.00 0.00 O ATOM 332 CB LEU A 22 24.196 17.378 -0.765 1.00 0.00 C ATOM 333 CG LEU A 22 25.582 16.774 -1.039 1.00 0.00 C ATOM 334 CD1 LEU A 22 25.671 15.409 -0.370 1.00 0.00 C ATOM 335 CD2 LEU A 22 25.876 16.613 -2.533 1.00 0.00 C ATOM 0 H LEU A 22 25.378 19.346 0.171 1.00 0.00 H new ATOM 0 HA LEU A 22 24.127 18.853 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 22 24.022 17.377 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 22 23.440 16.732 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 22 26.321 17.464 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.652 14.974 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 22 25.525 15.520 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 22 24.899 14.754 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 22 26.869 16.182 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 22 25.132 15.954 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 22 25.837 17.588 -3.019 1.00 0.00 H new ATOM 347 N HIS A 23 22.382 20.082 0.070 1.00 0.00 N ATOM 348 CA HIS A 23 21.057 20.374 0.610 1.00 0.00 C ATOM 349 C HIS A 23 20.040 20.815 -0.456 1.00 0.00 C ATOM 350 O HIS A 23 18.954 20.240 -0.450 1.00 0.00 O ATOM 351 CB HIS A 23 21.130 21.369 1.780 1.00 0.00 C ATOM 352 CG HIS A 23 21.797 20.860 3.039 1.00 0.00 C ATOM 353 ND1 HIS A 23 22.126 21.634 4.132 1.00 0.00 N ATOM 354 CD2 HIS A 23 22.126 19.565 3.357 1.00 0.00 C ATOM 355 CE1 HIS A 23 22.632 20.830 5.081 1.00 0.00 C ATOM 356 NE2 HIS A 23 22.655 19.555 4.654 1.00 0.00 N ATOM 0 H HIS A 23 23.140 20.580 0.537 1.00 0.00 H new ATOM 0 HA HIS A 23 20.679 19.429 0.999 1.00 0.00 H new ATOM 0 HB2 HIS A 23 21.664 22.258 1.443 1.00 0.00 H new ATOM 0 HB3 HIS A 23 20.116 21.681 2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 23 21.999 18.704 2.718 1.00 0.00 H new ATOM 0 HE1 HIS A 23 22.973 21.161 6.051 1.00 0.00 H new ATOM 0 HE2 HIS A 23 22.991 18.743 5.171 1.00 0.00 H new ATOM 364 N PRO A 24 20.329 21.742 -1.395 1.00 0.00 N ATOM 365 CA PRO A 24 19.353 22.155 -2.407 1.00 0.00 C ATOM 366 C PRO A 24 18.764 20.987 -3.205 1.00 0.00 C ATOM 367 O PRO A 24 17.576 21.006 -3.539 1.00 0.00 O ATOM 368 CB PRO A 24 20.091 23.133 -3.326 1.00 0.00 C ATOM 369 CG PRO A 24 21.180 23.710 -2.427 1.00 0.00 C ATOM 370 CD PRO A 24 21.550 22.524 -1.541 1.00 0.00 C ATOM 0 HA PRO A 24 18.491 22.613 -1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 24 20.513 22.627 -4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 24 19.426 23.911 -3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 24 22.034 24.066 -3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 24 20.816 24.554 -1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.343 21.930 -1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 24 21.918 22.860 -0.571 1.00 0.00 H new ATOM 378 N LEU A 25 19.571 19.964 -3.512 1.00 0.00 N ATOM 379 CA LEU A 25 19.088 18.789 -4.232 1.00 0.00 C ATOM 380 C LEU A 25 18.067 18.059 -3.370 1.00 0.00 C ATOM 381 O LEU A 25 17.017 17.670 -3.879 1.00 0.00 O ATOM 382 CB LEU A 25 20.214 17.818 -4.642 1.00 0.00 C ATOM 383 CG LEU A 25 21.255 18.317 -5.665 1.00 0.00 C ATOM 384 CD1 LEU A 25 20.632 19.133 -6.805 1.00 0.00 C ATOM 385 CD2 LEU A 25 22.380 19.127 -5.013 1.00 0.00 C ATOM 0 H LEU A 25 20.562 19.930 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 25 18.633 19.144 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.747 17.522 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.750 16.919 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 25 21.682 17.409 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.415 19.456 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.910 18.517 -7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.128 20.007 -6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 25 23.084 19.453 -5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.958 19.999 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 25 22.899 18.506 -4.283 1.00 0.00 H new ATOM 397 N PHE A 26 18.338 17.898 -2.071 1.00 0.00 N ATOM 398 CA PHE A 26 17.440 17.158 -1.201 1.00 0.00 C ATOM 399 C PHE A 26 16.203 17.955 -0.781 1.00 0.00 C ATOM 400 O PHE A 26 15.163 17.342 -0.541 1.00 0.00 O ATOM 401 CB PHE A 26 18.178 16.513 -0.019 1.00 0.00 C ATOM 402 CG PHE A 26 18.800 15.179 -0.400 1.00 0.00 C ATOM 403 CD1 PHE A 26 17.974 14.138 -0.875 1.00 0.00 C ATOM 404 CD2 PHE A 26 20.194 14.984 -0.334 1.00 0.00 C ATOM 405 CE1 PHE A 26 18.533 12.924 -1.306 1.00 0.00 C ATOM 406 CE2 PHE A 26 20.752 13.757 -0.739 1.00 0.00 C ATOM 407 CZ PHE A 26 19.923 12.730 -1.228 1.00 0.00 C ATOM 0 H PHE A 26 19.167 18.270 -1.608 1.00 0.00 H new ATOM 0 HA PHE A 26 17.049 16.336 -1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.956 17.189 0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.482 16.367 0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 26 16.903 14.276 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 26 20.834 15.776 0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.898 12.143 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 26 21.819 13.603 -0.674 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.355 11.792 -1.544 1.00 0.00 H new ATOM 417 N GLU A 27 16.256 19.290 -0.757 1.00 0.00 N ATOM 418 CA GLU A 27 15.055 20.096 -0.550 1.00 0.00 C ATOM 419 C GLU A 27 14.081 19.882 -1.715 1.00 0.00 C ATOM 420 O GLU A 27 12.892 19.641 -1.492 1.00 0.00 O ATOM 421 CB GLU A 27 15.398 21.589 -0.390 1.00 0.00 C ATOM 422 CG GLU A 27 16.266 21.939 0.833 1.00 0.00 C ATOM 423 CD GLU A 27 15.812 21.232 2.117 1.00 0.00 C ATOM 424 OE1 GLU A 27 14.660 21.439 2.556 1.00 0.00 O ATOM 425 OE2 GLU A 27 16.571 20.422 2.692 1.00 0.00 O ATOM 0 H GLU A 27 17.113 19.830 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 27 14.579 19.773 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.915 21.924 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.468 22.154 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 27 17.302 21.671 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.242 23.017 0.991 1.00 0.00 H new ATOM 432 N GLN A 28 14.588 19.907 -2.955 1.00 0.00 N ATOM 433 CA GLN A 28 13.779 19.622 -4.138 1.00 0.00 C ATOM 434 C GLN A 28 13.257 18.184 -4.076 1.00 0.00 C ATOM 435 O GLN A 28 12.062 17.957 -4.253 1.00 0.00 O ATOM 436 CB GLN A 28 14.606 19.843 -5.414 1.00 0.00 C ATOM 437 CG GLN A 28 14.901 21.327 -5.672 1.00 0.00 C ATOM 438 CD GLN A 28 15.976 21.489 -6.746 1.00 0.00 C ATOM 439 OE1 GLN A 28 15.690 21.713 -7.920 1.00 0.00 O ATOM 440 NE2 GLN A 28 17.235 21.364 -6.361 1.00 0.00 N ATOM 0 H GLN A 28 15.563 20.124 -3.161 1.00 0.00 H new ATOM 0 HA GLN A 28 12.928 20.302 -4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.546 19.297 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.069 19.429 -6.267 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.989 21.834 -5.985 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.229 21.803 -4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.453 21.178 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.988 21.453 -7.043 1.00 0.00 H new ATOM 449 N PHE A 29 14.145 17.232 -3.782 1.00 0.00 N ATOM 450 CA PHE A 29 13.824 15.812 -3.750 1.00 0.00 C ATOM 451 C PHE A 29 12.670 15.542 -2.781 1.00 0.00 C ATOM 452 O PHE A 29 11.714 14.865 -3.154 1.00 0.00 O ATOM 453 CB PHE A 29 15.090 15.062 -3.329 1.00 0.00 C ATOM 454 CG PHE A 29 14.957 13.571 -3.150 1.00 0.00 C ATOM 455 CD1 PHE A 29 14.573 13.054 -1.900 1.00 0.00 C ATOM 456 CD2 PHE A 29 15.257 12.699 -4.209 1.00 0.00 C ATOM 457 CE1 PHE A 29 14.451 11.670 -1.716 1.00 0.00 C ATOM 458 CE2 PHE A 29 15.114 11.313 -4.031 1.00 0.00 C ATOM 459 CZ PHE A 29 14.701 10.802 -2.790 1.00 0.00 C ATOM 0 H PHE A 29 15.119 17.433 -3.557 1.00 0.00 H new ATOM 0 HA PHE A 29 13.498 15.470 -4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 29 15.862 15.249 -4.075 1.00 0.00 H new ATOM 0 HB3 PHE A 29 15.444 15.489 -2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 29 14.371 13.726 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 29 15.596 13.092 -5.156 1.00 0.00 H new ATOM 0 HE1 PHE A 29 14.166 11.274 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 29 15.322 10.640 -4.849 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.575 9.737 -2.662 1.00 0.00 H new ATOM 469 N GLU A 30 12.719 16.107 -1.568 1.00 0.00 N ATOM 470 CA GLU A 30 11.669 15.922 -0.573 1.00 0.00 C ATOM 471 C GLU A 30 10.330 16.395 -1.130 1.00 0.00 C ATOM 472 O GLU A 30 9.355 15.638 -1.133 1.00 0.00 O ATOM 473 CB GLU A 30 12.018 16.688 0.714 1.00 0.00 C ATOM 474 CG GLU A 30 10.884 16.595 1.748 1.00 0.00 C ATOM 475 CD GLU A 30 11.264 17.264 3.073 1.00 0.00 C ATOM 476 OE1 GLU A 30 11.334 18.511 3.128 1.00 0.00 O ATOM 477 OE2 GLU A 30 11.537 16.559 4.068 1.00 0.00 O ATOM 0 H GLU A 30 13.486 16.702 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 30 11.591 14.861 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.936 16.285 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.210 17.734 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.987 17.067 1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.640 15.548 1.927 1.00 0.00 H new ATOM 484 N LYS A 31 10.266 17.646 -1.601 1.00 0.00 N ATOM 485 CA LYS A 31 8.990 18.215 -2.012 1.00 0.00 C ATOM 486 C LYS A 31 8.462 17.502 -3.251 1.00 0.00 C ATOM 487 O LYS A 31 7.257 17.286 -3.344 1.00 0.00 O ATOM 488 CB LYS A 31 9.058 19.754 -2.067 1.00 0.00 C ATOM 489 CG LYS A 31 8.681 20.464 -3.370 1.00 0.00 C ATOM 490 CD LYS A 31 9.825 20.483 -4.390 1.00 0.00 C ATOM 491 CE LYS A 31 9.544 21.543 -5.458 1.00 0.00 C ATOM 492 NZ LYS A 31 8.502 21.122 -6.423 1.00 0.00 N ATOM 0 H LYS A 31 11.068 18.268 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 31 8.226 18.029 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.410 20.141 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.076 20.048 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.816 19.969 -3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.383 21.488 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.769 20.699 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.928 19.502 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.231 22.468 -4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.465 21.762 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.110 21.960 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.921 20.487 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.742 20.624 -5.918 1.00 0.00 H new ATOM 506 N PHE A 32 9.328 17.062 -4.167 1.00 0.00 N ATOM 507 CA PHE A 32 8.877 16.319 -5.329 1.00 0.00 C ATOM 508 C PHE A 32 8.383 14.924 -4.942 1.00 0.00 C ATOM 509 O PHE A 32 7.405 14.475 -5.535 1.00 0.00 O ATOM 510 CB PHE A 32 9.953 16.296 -6.422 1.00 0.00 C ATOM 511 CG PHE A 32 10.008 17.578 -7.238 1.00 0.00 C ATOM 512 CD1 PHE A 32 8.877 17.980 -7.973 1.00 0.00 C ATOM 513 CD2 PHE A 32 11.175 18.358 -7.306 1.00 0.00 C ATOM 514 CE1 PHE A 32 8.906 19.113 -8.796 1.00 0.00 C ATOM 515 CE2 PHE A 32 11.192 19.535 -8.076 1.00 0.00 C ATOM 516 CZ PHE A 32 10.066 19.906 -8.838 1.00 0.00 C ATOM 0 H PHE A 32 10.336 17.210 -4.121 1.00 0.00 H new ATOM 0 HA PHE A 32 8.017 16.837 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.926 16.125 -5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.765 15.456 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.967 17.402 -7.901 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.060 18.053 -6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.045 19.375 -9.393 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.074 20.159 -8.083 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.094 20.795 -9.451 1.00 0.00 H new ATOM 526 N TYR A 33 8.955 14.251 -3.937 1.00 0.00 N ATOM 527 CA TYR A 33 8.361 13.013 -3.434 1.00 0.00 C ATOM 528 C TYR A 33 6.974 13.308 -2.850 1.00 0.00 C ATOM 529 O TYR A 33 6.017 12.598 -3.156 1.00 0.00 O ATOM 530 CB TYR A 33 9.266 12.332 -2.393 1.00 0.00 C ATOM 531 CG TYR A 33 8.659 11.077 -1.795 1.00 0.00 C ATOM 532 CD1 TYR A 33 7.854 11.167 -0.642 1.00 0.00 C ATOM 533 CD2 TYR A 33 8.847 9.830 -2.420 1.00 0.00 C ATOM 534 CE1 TYR A 33 7.213 10.024 -0.139 1.00 0.00 C ATOM 535 CE2 TYR A 33 8.213 8.681 -1.915 1.00 0.00 C ATOM 536 CZ TYR A 33 7.386 8.773 -0.774 1.00 0.00 C ATOM 537 OH TYR A 33 6.742 7.674 -0.290 1.00 0.00 O ATOM 0 H TYR A 33 9.813 14.538 -3.465 1.00 0.00 H new ATOM 0 HA TYR A 33 8.256 12.317 -4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.218 12.079 -2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.482 13.039 -1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.730 12.117 -0.144 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.481 9.755 -3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.585 10.101 0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.359 7.727 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 33 6.966 6.895 -0.840 1.00 0.00 H new ATOM 547 N GLU A 34 6.846 14.369 -2.044 1.00 0.00 N ATOM 548 CA GLU A 34 5.590 14.727 -1.390 1.00 0.00 C ATOM 549 C GLU A 34 4.497 15.050 -2.423 1.00 0.00 C ATOM 550 O GLU A 34 3.345 14.650 -2.251 1.00 0.00 O ATOM 551 CB GLU A 34 5.843 15.895 -0.422 1.00 0.00 C ATOM 552 CG GLU A 34 4.622 16.200 0.454 1.00 0.00 C ATOM 553 CD GLU A 34 4.930 17.293 1.495 1.00 0.00 C ATOM 554 OE1 GLU A 34 4.747 18.495 1.196 1.00 0.00 O ATOM 555 OE2 GLU A 34 5.330 16.961 2.634 1.00 0.00 O ATOM 0 H GLU A 34 7.616 15.003 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 34 5.222 13.877 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.695 15.658 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.110 16.785 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.792 16.520 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.303 15.291 0.964 1.00 0.00 H new ATOM 562 N GLU A 35 4.857 15.714 -3.526 1.00 0.00 N ATOM 563 CA GLU A 35 3.957 16.031 -4.636 1.00 0.00 C ATOM 564 C GLU A 35 3.642 14.808 -5.518 1.00 0.00 C ATOM 565 O GLU A 35 2.880 14.935 -6.478 1.00 0.00 O ATOM 566 CB GLU A 35 4.552 17.175 -5.479 1.00 0.00 C ATOM 567 CG GLU A 35 4.468 18.522 -4.751 1.00 0.00 C ATOM 568 CD GLU A 35 4.954 19.678 -5.641 1.00 0.00 C ATOM 569 OE1 GLU A 35 6.179 19.813 -5.859 1.00 0.00 O ATOM 570 OE2 GLU A 35 4.110 20.477 -6.111 1.00 0.00 O ATOM 0 H GLU A 35 5.807 16.054 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 35 3.008 16.350 -4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.593 16.952 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.021 17.241 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.439 18.707 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.070 18.484 -3.843 1.00 0.00 H new ATOM 577 N LYS A 36 4.192 13.626 -5.207 1.00 0.00 N ATOM 578 CA LYS A 36 4.099 12.411 -6.024 1.00 0.00 C ATOM 579 C LYS A 36 4.655 12.656 -7.434 1.00 0.00 C ATOM 580 O LYS A 36 4.056 12.263 -8.440 1.00 0.00 O ATOM 581 CB LYS A 36 2.664 11.854 -6.004 1.00 0.00 C ATOM 582 CG LYS A 36 2.626 10.393 -6.483 1.00 0.00 C ATOM 583 CD LYS A 36 1.265 9.955 -7.038 1.00 0.00 C ATOM 584 CE LYS A 36 0.773 10.761 -8.256 1.00 0.00 C ATOM 585 NZ LYS A 36 1.758 10.812 -9.369 1.00 0.00 N ATOM 0 H LYS A 36 4.731 13.486 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 36 4.728 11.633 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.260 11.918 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.025 12.465 -6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.383 10.254 -7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.895 9.741 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.324 8.903 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.522 10.034 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.155 10.322 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.541 11.778 -7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.328 11.280 -10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.597 11.347 -9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.039 9.845 -9.628 1.00 0.00 H new ATOM 599 N LEU A 37 5.804 13.323 -7.512 1.00 0.00 N ATOM 600 CA LEU A 37 6.481 13.709 -8.741 1.00 0.00 C ATOM 601 C LEU A 37 7.806 12.990 -8.808 1.00 0.00 C ATOM 602 O LEU A 37 8.888 13.573 -8.760 1.00 0.00 O ATOM 603 CB LEU A 37 6.572 15.236 -8.842 1.00 0.00 C ATOM 604 CG LEU A 37 5.208 15.888 -9.119 1.00 0.00 C ATOM 605 CD1 LEU A 37 5.363 17.405 -9.247 1.00 0.00 C ATOM 606 CD2 LEU A 37 4.595 15.309 -10.395 1.00 0.00 C ATOM 0 H LEU A 37 6.310 13.622 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 37 5.915 13.404 -9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.980 15.635 -7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.268 15.504 -9.637 1.00 0.00 H new ATOM 0 HG LEU A 37 4.542 15.674 -8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.390 17.855 -9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.769 17.809 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.041 17.633 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.629 15.779 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.259 15.501 -11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.459 14.234 -10.278 1.00 0.00 H new ATOM 618 N TRP A 38 7.660 11.676 -8.929 1.00 0.00 N ATOM 619 CA TRP A 38 8.767 10.730 -9.006 1.00 0.00 C ATOM 620 C TRP A 38 9.756 11.110 -10.115 1.00 0.00 C ATOM 621 O TRP A 38 10.966 10.984 -9.931 1.00 0.00 O ATOM 622 CB TRP A 38 8.256 9.307 -9.272 1.00 0.00 C ATOM 623 CG TRP A 38 6.995 8.823 -8.619 1.00 0.00 C ATOM 624 CD1 TRP A 38 6.036 8.120 -9.262 1.00 0.00 C ATOM 625 CD2 TRP A 38 6.558 8.890 -7.224 1.00 0.00 C ATOM 626 NE1 TRP A 38 5.077 7.700 -8.369 1.00 0.00 N ATOM 627 CE2 TRP A 38 5.379 8.094 -7.086 1.00 0.00 C ATOM 628 CE3 TRP A 38 7.032 9.530 -6.059 1.00 0.00 C ATOM 629 CZ2 TRP A 38 4.760 7.866 -5.849 1.00 0.00 C ATOM 630 CZ3 TRP A 38 6.373 9.367 -4.824 1.00 0.00 C ATOM 631 CH2 TRP A 38 5.261 8.516 -4.709 1.00 0.00 C ATOM 0 H TRP A 38 6.745 11.227 -8.978 1.00 0.00 H new ATOM 0 HA TRP A 38 9.277 10.765 -8.043 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.120 9.209 -10.349 1.00 0.00 H new ATOM 0 HB3 TRP A 38 9.052 8.619 -8.987 1.00 0.00 H new ATOM 0 HD1 TRP A 38 6.024 7.917 -10.323 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.248 7.165 -8.626 1.00 0.00 H new ATOM 0 HE3 TRP A 38 7.912 10.153 -6.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.912 7.202 -5.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.727 9.903 -3.956 1.00 0.00 H new ATOM 0 HH2 TRP A 38 4.793 8.362 -3.748 1.00 0.00 H new ATOM 642 N PHE A 39 9.257 11.567 -11.268 1.00 0.00 N ATOM 643 CA PHE A 39 10.096 11.865 -12.424 1.00 0.00 C ATOM 644 C PHE A 39 10.991 13.069 -12.126 1.00 0.00 C ATOM 645 O PHE A 39 12.202 13.000 -12.313 1.00 0.00 O ATOM 646 CB PHE A 39 9.221 12.120 -13.663 1.00 0.00 C ATOM 647 CG PHE A 39 8.116 11.099 -13.876 1.00 0.00 C ATOM 648 CD1 PHE A 39 8.432 9.761 -14.186 1.00 0.00 C ATOM 649 CD2 PHE A 39 6.767 11.484 -13.736 1.00 0.00 C ATOM 650 CE1 PHE A 39 7.402 8.820 -14.367 1.00 0.00 C ATOM 651 CE2 PHE A 39 5.740 10.538 -13.910 1.00 0.00 C ATOM 652 CZ PHE A 39 6.058 9.206 -14.227 1.00 0.00 C ATOM 0 H PHE A 39 8.263 11.739 -11.422 1.00 0.00 H new ATOM 0 HA PHE A 39 10.736 11.007 -12.632 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.772 13.110 -13.578 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.860 12.135 -14.546 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.464 9.458 -14.285 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.521 12.508 -13.495 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.645 7.797 -14.614 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.708 10.835 -13.800 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.270 8.480 -14.363 1.00 0.00 H new ATOM 662 N GLN A 40 10.409 14.148 -11.594 1.00 0.00 N ATOM 663 CA GLN A 40 11.132 15.341 -11.163 1.00 0.00 C ATOM 664 C GLN A 40 12.157 15.002 -10.081 1.00 0.00 C ATOM 665 O GLN A 40 13.310 15.437 -10.129 1.00 0.00 O ATOM 666 CB GLN A 40 10.101 16.316 -10.584 1.00 0.00 C ATOM 667 CG GLN A 40 9.350 17.120 -11.657 1.00 0.00 C ATOM 668 CD GLN A 40 10.245 18.172 -12.319 1.00 0.00 C ATOM 669 OE1 GLN A 40 11.128 18.787 -11.546 1.00 0.00 O flip ATOM 670 NE2 GLN A 40 10.148 18.438 -13.514 1.00 0.00 N flip ATOM 0 H GLN A 40 9.402 14.215 -11.449 1.00 0.00 H new ATOM 0 HA GLN A 40 11.665 15.773 -12.010 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.379 15.758 -9.988 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.605 17.008 -9.909 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.967 16.440 -12.418 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.488 17.610 -11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.461 17.952 -14.091 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.754 19.145 -13.930 1.00 0.00 H new ATOM 679 N LEU A 41 11.730 14.208 -9.104 1.00 0.00 N ATOM 680 CA LEU A 41 12.599 13.696 -8.062 1.00 0.00 C ATOM 681 C LEU A 41 13.765 12.905 -8.658 1.00 0.00 C ATOM 682 O LEU A 41 14.875 13.008 -8.142 1.00 0.00 O ATOM 683 CB LEU A 41 11.731 12.900 -7.080 1.00 0.00 C ATOM 684 CG LEU A 41 12.498 11.867 -6.233 1.00 0.00 C ATOM 685 CD1 LEU A 41 11.825 11.703 -4.878 1.00 0.00 C ATOM 686 CD2 LEU A 41 12.557 10.485 -6.893 1.00 0.00 C ATOM 0 H LEU A 41 10.761 13.902 -9.017 1.00 0.00 H new ATOM 0 HA LEU A 41 13.076 14.505 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.230 13.599 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.952 12.383 -7.641 1.00 0.00 H new ATOM 0 HG LEU A 41 13.514 12.249 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.374 10.971 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.819 12.660 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.800 11.360 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.109 9.799 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.545 10.109 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.059 10.563 -7.857 1.00 0.00 H new ATOM 698 N SER A 42 13.555 12.162 -9.744 1.00 0.00 N ATOM 699 CA SER A 42 14.620 11.398 -10.378 1.00 0.00 C ATOM 700 C SER A 42 15.633 12.338 -11.025 1.00 0.00 C ATOM 701 O SER A 42 16.827 12.049 -10.983 1.00 0.00 O ATOM 702 CB SER A 42 14.049 10.411 -11.399 1.00 0.00 C ATOM 703 OG SER A 42 13.104 9.560 -10.784 1.00 0.00 O ATOM 0 H SER A 42 12.648 12.075 -10.203 1.00 0.00 H new ATOM 0 HA SER A 42 15.135 10.818 -9.612 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.579 10.956 -12.218 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.855 9.818 -11.832 1.00 0.00 H new ATOM 0 HG SER A 42 12.337 10.089 -10.479 1.00 0.00 H new ATOM 709 N GLU A 43 15.213 13.488 -11.558 1.00 0.00 N ATOM 710 CA GLU A 43 16.163 14.498 -12.023 1.00 0.00 C ATOM 711 C GLU A 43 16.933 15.046 -10.825 1.00 0.00 C ATOM 712 O GLU A 43 18.147 15.212 -10.899 1.00 0.00 O ATOM 713 CB GLU A 43 15.492 15.666 -12.764 1.00 0.00 C ATOM 714 CG GLU A 43 14.380 15.219 -13.712 1.00 0.00 C ATOM 715 CD GLU A 43 14.022 16.303 -14.742 1.00 0.00 C ATOM 716 OE1 GLU A 43 13.469 17.360 -14.362 1.00 0.00 O ATOM 717 OE2 GLU A 43 14.286 16.106 -15.951 1.00 0.00 O ATOM 0 H GLU A 43 14.232 13.740 -11.677 1.00 0.00 H new ATOM 0 HA GLU A 43 16.828 14.008 -12.734 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.080 16.362 -12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.247 16.210 -13.331 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.692 14.314 -14.233 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.493 14.964 -13.133 1.00 0.00 H new ATOM 724 N SER A 44 16.240 15.285 -9.710 1.00 0.00 N ATOM 725 CA SER A 44 16.854 15.879 -8.520 1.00 0.00 C ATOM 726 C SER A 44 17.936 14.942 -7.958 1.00 0.00 C ATOM 727 O SER A 44 19.051 15.364 -7.643 1.00 0.00 O ATOM 728 CB SER A 44 15.774 16.190 -7.471 1.00 0.00 C ATOM 729 OG SER A 44 14.726 16.984 -8.014 1.00 0.00 O ATOM 0 H SER A 44 15.247 15.075 -9.606 1.00 0.00 H new ATOM 0 HA SER A 44 17.337 16.818 -8.792 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.362 15.257 -7.086 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.226 16.711 -6.627 1.00 0.00 H new ATOM 0 HG SER A 44 14.229 16.461 -8.678 1.00 0.00 H new ATOM 735 N LEU A 45 17.623 13.647 -7.901 1.00 0.00 N ATOM 736 CA LEU A 45 18.546 12.610 -7.469 1.00 0.00 C ATOM 737 C LEU A 45 19.653 12.385 -8.505 1.00 0.00 C ATOM 738 O LEU A 45 20.791 12.124 -8.126 1.00 0.00 O ATOM 739 CB LEU A 45 17.744 11.333 -7.178 1.00 0.00 C ATOM 740 CG LEU A 45 18.563 10.183 -6.565 1.00 0.00 C ATOM 741 CD1 LEU A 45 19.359 10.582 -5.318 1.00 0.00 C ATOM 742 CD2 LEU A 45 17.601 9.056 -6.186 1.00 0.00 C ATOM 0 H LEU A 45 16.704 13.288 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 45 19.053 12.919 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.927 11.580 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.293 10.984 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 45 19.290 9.876 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.909 9.718 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 45 20.060 11.376 -5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.674 10.936 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.162 8.230 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.876 9.425 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 45 17.079 8.708 -7.077 1.00 0.00 H new ATOM 754 N THR A 46 19.375 12.546 -9.801 1.00 0.00 N ATOM 755 CA THR A 46 20.404 12.503 -10.837 1.00 0.00 C ATOM 756 C THR A 46 21.369 13.692 -10.707 1.00 0.00 C ATOM 757 O THR A 46 22.576 13.516 -10.868 1.00 0.00 O ATOM 758 CB THR A 46 19.752 12.395 -12.223 1.00 0.00 C ATOM 759 OG1 THR A 46 18.996 11.196 -12.264 1.00 0.00 O ATOM 760 CG2 THR A 46 20.766 12.328 -13.364 1.00 0.00 C ATOM 0 H THR A 46 18.434 12.709 -10.158 1.00 0.00 H new ATOM 0 HA THR A 46 21.015 11.610 -10.704 1.00 0.00 H new ATOM 0 HB THR A 46 19.145 13.290 -12.362 1.00 0.00 H new ATOM 0 HG1 THR A 46 18.051 11.400 -12.104 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.239 12.253 -14.315 1.00 0.00 H new ATOM 0 HG22 THR A 46 21.379 13.229 -13.359 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.404 11.454 -13.233 1.00 0.00 H new ATOM 768 N LYS A 47 20.892 14.890 -10.347 1.00 0.00 N ATOM 769 CA LYS A 47 21.774 16.029 -10.090 1.00 0.00 C ATOM 770 C LYS A 47 22.674 15.752 -8.885 1.00 0.00 C ATOM 771 O LYS A 47 23.840 16.140 -8.917 1.00 0.00 O ATOM 772 CB LYS A 47 20.962 17.317 -9.894 1.00 0.00 C ATOM 773 CG LYS A 47 20.352 17.831 -11.208 1.00 0.00 C ATOM 774 CD LYS A 47 19.456 19.050 -10.957 1.00 0.00 C ATOM 775 CE LYS A 47 18.860 19.544 -12.282 1.00 0.00 C ATOM 776 NZ LYS A 47 18.001 20.741 -12.103 1.00 0.00 N ATOM 0 H LYS A 47 19.900 15.093 -10.228 1.00 0.00 H new ATOM 0 HA LYS A 47 22.413 16.171 -10.961 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.165 17.135 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.605 18.088 -9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.148 18.097 -11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 47 19.770 17.038 -11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 18.656 18.788 -10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 47 20.034 19.847 -10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.667 19.780 -12.975 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.274 18.744 -12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.622 21.037 -13.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.214 20.511 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.564 21.515 -11.696 1.00 0.00 H new ATOM 790 N PHE A 48 22.185 15.053 -7.854 1.00 0.00 N ATOM 791 CA PHE A 48 23.054 14.576 -6.781 1.00 0.00 C ATOM 792 C PHE A 48 24.050 13.537 -7.323 1.00 0.00 C ATOM 793 O PHE A 48 25.233 13.637 -7.019 1.00 0.00 O ATOM 794 CB PHE A 48 22.228 14.041 -5.596 1.00 0.00 C ATOM 795 CG PHE A 48 23.015 13.407 -4.454 1.00 0.00 C ATOM 796 CD1 PHE A 48 24.315 13.838 -4.118 1.00 0.00 C ATOM 797 CD2 PHE A 48 22.430 12.367 -3.706 1.00 0.00 C ATOM 798 CE1 PHE A 48 25.030 13.211 -3.084 1.00 0.00 C ATOM 799 CE2 PHE A 48 23.139 11.751 -2.661 1.00 0.00 C ATOM 800 CZ PHE A 48 24.445 12.164 -2.356 1.00 0.00 C ATOM 0 H PHE A 48 21.201 14.809 -7.743 1.00 0.00 H new ATOM 0 HA PHE A 48 23.636 15.414 -6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 48 21.640 14.864 -5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 48 21.523 13.302 -5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 48 24.765 14.657 -4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 48 21.427 12.040 -3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 48 26.033 13.536 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.678 10.958 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 48 24.997 11.678 -1.565 1.00 0.00 H new ATOM 810 N PHE A 49 23.614 12.571 -8.141 1.00 0.00 N ATOM 811 CA PHE A 49 24.495 11.568 -8.753 1.00 0.00 C ATOM 812 C PHE A 49 25.623 12.194 -9.586 1.00 0.00 C ATOM 813 O PHE A 49 26.718 11.632 -9.650 1.00 0.00 O ATOM 814 CB PHE A 49 23.667 10.553 -9.558 1.00 0.00 C ATOM 815 CG PHE A 49 24.447 9.740 -10.576 1.00 0.00 C ATOM 816 CD1 PHE A 49 25.062 8.523 -10.219 1.00 0.00 C ATOM 817 CD2 PHE A 49 24.583 10.235 -11.890 1.00 0.00 C ATOM 818 CE1 PHE A 49 25.814 7.814 -11.178 1.00 0.00 C ATOM 819 CE2 PHE A 49 25.343 9.529 -12.838 1.00 0.00 C ATOM 820 CZ PHE A 49 25.959 8.319 -12.482 1.00 0.00 C ATOM 0 H PHE A 49 22.633 12.463 -8.399 1.00 0.00 H new ATOM 0 HA PHE A 49 24.997 11.033 -7.946 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.187 9.867 -8.861 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.872 11.088 -10.077 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.958 8.136 -9.216 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.101 11.160 -12.169 1.00 0.00 H new ATOM 0 HE1 PHE A 49 26.281 6.878 -10.909 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.453 9.917 -13.840 1.00 0.00 H new ATOM 0 HZ PHE A 49 26.544 7.776 -13.210 1.00 0.00 H new ATOM 830 N ASP A 50 25.389 13.363 -10.190 1.00 0.00 N ATOM 831 CA ASP A 50 26.402 14.112 -10.939 1.00 0.00 C ATOM 832 C ASP A 50 27.508 14.691 -10.031 1.00 0.00 C ATOM 833 O ASP A 50 28.459 15.301 -10.522 1.00 0.00 O ATOM 834 CB ASP A 50 25.714 15.215 -11.758 1.00 0.00 C ATOM 835 CG ASP A 50 26.678 15.915 -12.733 1.00 0.00 C ATOM 836 OD1 ASP A 50 27.248 15.240 -13.621 1.00 0.00 O ATOM 837 OD2 ASP A 50 26.823 17.157 -12.663 1.00 0.00 O ATOM 0 H ASP A 50 24.478 13.822 -10.172 1.00 0.00 H new ATOM 0 HA ASP A 50 26.905 13.419 -11.613 1.00 0.00 H new ATOM 0 HB2 ASP A 50 24.885 14.783 -12.319 1.00 0.00 H new ATOM 0 HB3 ASP A 50 25.288 15.954 -11.080 1.00 0.00 H new ATOM 842 N ASP A 51 27.423 14.490 -8.712 1.00 0.00 N ATOM 843 CA ASP A 51 28.389 14.929 -7.710 1.00 0.00 C ATOM 844 C ASP A 51 28.717 13.749 -6.781 1.00 0.00 C ATOM 845 O ASP A 51 28.009 12.734 -6.753 1.00 0.00 O ATOM 846 CB ASP A 51 27.830 16.144 -6.944 1.00 0.00 C ATOM 847 CG ASP A 51 28.927 17.062 -6.381 1.00 0.00 C ATOM 848 OD1 ASP A 51 29.977 16.564 -5.918 1.00 0.00 O ATOM 849 OD2 ASP A 51 28.742 18.300 -6.398 1.00 0.00 O ATOM 0 H ASP A 51 26.636 13.990 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 51 29.317 15.249 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 51 27.189 16.721 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 51 27.204 15.792 -6.124 1.00 0.00 H new ATOM 854 N ALA A 52 29.798 13.863 -6.012 1.00 0.00 N ATOM 855 CA ALA A 52 30.387 12.781 -5.236 1.00 0.00 C ATOM 856 C ALA A 52 30.716 13.202 -3.793 1.00 0.00 C ATOM 857 O ALA A 52 31.535 12.556 -3.136 1.00 0.00 O ATOM 858 CB ALA A 52 31.621 12.257 -5.986 1.00 0.00 C ATOM 0 H ALA A 52 30.303 14.743 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 52 29.658 11.977 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 52 32.075 11.445 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.321 11.890 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 52 32.344 13.064 -6.106 1.00 0.00 H new ATOM 864 N LYS A 53 30.099 14.282 -3.283 1.00 0.00 N ATOM 865 CA LYS A 53 30.318 14.738 -1.902 1.00 0.00 C ATOM 866 C LYS A 53 30.031 13.632 -0.879 1.00 0.00 C ATOM 867 O LYS A 53 30.752 13.524 0.115 1.00 0.00 O ATOM 868 CB LYS A 53 29.446 15.949 -1.539 1.00 0.00 C ATOM 869 CG LYS A 53 29.426 17.183 -2.456 1.00 0.00 C ATOM 870 CD LYS A 53 30.625 18.125 -2.300 1.00 0.00 C ATOM 871 CE LYS A 53 31.922 17.655 -2.976 1.00 0.00 C ATOM 872 NZ LYS A 53 31.909 17.852 -4.448 1.00 0.00 N ATOM 0 H LYS A 53 29.442 14.857 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 53 31.370 15.020 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 53 28.419 15.594 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.754 16.285 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.380 16.847 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.513 17.746 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 53 30.355 19.100 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 53 30.819 18.266 -1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 53 32.766 18.197 -2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 53 32.078 16.599 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 32.718 17.354 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 31.024 17.473 -4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 31.976 18.867 -4.663 1.00 0.00 H new ATOM 886 N SER A 54 29.000 12.820 -1.133 1.00 0.00 N ATOM 887 CA SER A 54 28.450 11.873 -0.169 1.00 0.00 C ATOM 888 C SER A 54 27.869 10.635 -0.876 1.00 0.00 C ATOM 889 O SER A 54 26.786 10.174 -0.521 1.00 0.00 O ATOM 890 CB SER A 54 27.384 12.622 0.655 1.00 0.00 C ATOM 891 OG SER A 54 27.898 13.771 1.319 1.00 0.00 O ATOM 0 H SER A 54 28.518 12.805 -2.032 1.00 0.00 H new ATOM 0 HA SER A 54 29.232 11.499 0.492 1.00 0.00 H new ATOM 0 HB2 SER A 54 26.570 12.924 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 54 26.960 11.942 1.394 1.00 0.00 H new ATOM 0 HG SER A 54 27.635 13.749 2.263 1.00 0.00 H new ATOM 897 N THR A 55 28.540 10.119 -1.911 1.00 0.00 N ATOM 898 CA THR A 55 28.054 9.035 -2.772 1.00 0.00 C ATOM 899 C THR A 55 27.362 7.865 -2.032 1.00 0.00 C ATOM 900 O THR A 55 26.272 7.484 -2.462 1.00 0.00 O ATOM 901 CB THR A 55 29.211 8.595 -3.688 1.00 0.00 C ATOM 902 OG1 THR A 55 29.680 9.725 -4.388 1.00 0.00 O ATOM 903 CG2 THR A 55 28.827 7.509 -4.692 1.00 0.00 C ATOM 0 H THR A 55 29.465 10.454 -2.181 1.00 0.00 H new ATOM 0 HA THR A 55 27.236 9.425 -3.377 1.00 0.00 H new ATOM 0 HB THR A 55 29.979 8.163 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.419 9.462 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 55 29.694 7.253 -5.300 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.485 6.623 -4.157 1.00 0.00 H new ATOM 0 HG23 THR A 55 28.027 7.875 -5.336 1.00 0.00 H new ATOM 911 N PRO A 56 27.893 7.297 -0.929 1.00 0.00 N ATOM 912 CA PRO A 56 27.219 6.273 -0.127 1.00 0.00 C ATOM 913 C PRO A 56 25.773 6.556 0.298 1.00 0.00 C ATOM 914 O PRO A 56 25.026 5.604 0.530 1.00 0.00 O ATOM 915 CB PRO A 56 28.113 6.065 1.096 1.00 0.00 C ATOM 916 CG PRO A 56 29.505 6.294 0.521 1.00 0.00 C ATOM 917 CD PRO A 56 29.282 7.398 -0.508 1.00 0.00 C ATOM 0 HA PRO A 56 27.099 5.389 -0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 56 27.881 6.770 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 56 28.005 5.064 1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 56 30.213 6.599 1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 56 29.904 5.390 0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 56 29.486 8.378 -0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 56 29.954 7.278 -1.357 1.00 0.00 H new ATOM 925 N LEU A 57 25.332 7.820 0.384 1.00 0.00 N ATOM 926 CA LEU A 57 23.933 8.133 0.687 1.00 0.00 C ATOM 927 C LEU A 57 23.000 7.507 -0.354 1.00 0.00 C ATOM 928 O LEU A 57 21.897 7.076 -0.016 1.00 0.00 O ATOM 929 CB LEU A 57 23.683 9.651 0.709 1.00 0.00 C ATOM 930 CG LEU A 57 24.402 10.474 1.791 1.00 0.00 C ATOM 931 CD1 LEU A 57 23.928 11.927 1.735 1.00 0.00 C ATOM 932 CD2 LEU A 57 24.193 10.020 3.233 1.00 0.00 C ATOM 0 H LEU A 57 25.925 8.639 0.248 1.00 0.00 H new ATOM 0 HA LEU A 57 23.726 7.721 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 57 23.968 10.053 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 57 22.611 9.814 0.820 1.00 0.00 H new ATOM 0 HG LEU A 57 25.457 10.338 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.440 12.507 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.153 12.346 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.852 11.966 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 57 24.748 10.675 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 57 23.132 10.064 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 57 24.550 8.996 3.348 1.00 0.00 H new ATOM 944 N ARG A 58 23.431 7.427 -1.618 1.00 0.00 N ATOM 945 CA ARG A 58 22.605 6.900 -2.702 1.00 0.00 C ATOM 946 C ARG A 58 22.330 5.398 -2.534 1.00 0.00 C ATOM 947 O ARG A 58 21.326 4.912 -3.057 1.00 0.00 O ATOM 948 CB ARG A 58 23.223 7.261 -4.068 1.00 0.00 C ATOM 949 CG ARG A 58 23.287 8.786 -4.269 1.00 0.00 C ATOM 950 CD ARG A 58 23.743 9.194 -5.673 1.00 0.00 C ATOM 951 NE ARG A 58 25.203 9.060 -5.878 1.00 0.00 N ATOM 952 CZ ARG A 58 26.068 10.086 -5.937 1.00 0.00 C ATOM 953 NH1 ARG A 58 25.759 11.271 -5.431 1.00 0.00 N ATOM 954 NH2 ARG A 58 27.234 9.971 -6.555 1.00 0.00 N ATOM 0 H ARG A 58 24.360 7.726 -1.914 1.00 0.00 H new ATOM 0 HA ARG A 58 21.626 7.377 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 58 24.226 6.841 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.633 6.811 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 58 22.303 9.212 -4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 58 23.969 9.214 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 58 23.222 8.581 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 58 23.451 10.228 -5.856 1.00 0.00 H new ATOM 0 HE ARG A 58 25.580 8.118 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 58 24.852 11.415 -4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 58 26.428 12.039 -5.485 1.00 0.00 H new ATOM 0 HH21 ARG A 58 27.491 9.089 -6.999 1.00 0.00 H new ATOM 0 HH22 ARG A 58 27.875 10.764 -6.587 1.00 0.00 H new ATOM 968 N LEU A 59 23.136 4.678 -1.746 1.00 0.00 N ATOM 969 CA LEU A 59 22.889 3.280 -1.394 1.00 0.00 C ATOM 970 C LEU A 59 21.639 3.208 -0.520 1.00 0.00 C ATOM 971 O LEU A 59 20.725 2.434 -0.799 1.00 0.00 O ATOM 972 CB LEU A 59 24.108 2.708 -0.635 1.00 0.00 C ATOM 973 CG LEU A 59 24.471 1.262 -1.015 1.00 0.00 C ATOM 974 CD1 LEU A 59 25.800 0.896 -0.346 1.00 0.00 C ATOM 975 CD2 LEU A 59 23.390 0.254 -0.610 1.00 0.00 C ATOM 0 H LEU A 59 23.988 5.056 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 59 22.737 2.689 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 59 24.970 3.348 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 59 23.907 2.750 0.435 1.00 0.00 H new ATOM 0 HG LEU A 59 24.556 1.212 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 59 26.069 -0.127 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 59 26.580 1.575 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 59 25.698 0.979 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 59 23.700 -0.749 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 59 23.246 0.289 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 59 22.454 0.505 -1.109 1.00 0.00 H new ATOM 987 N ARG A 60 21.586 4.062 0.511 1.00 0.00 N ATOM 988 CA ARG A 60 20.449 4.146 1.431 1.00 0.00 C ATOM 989 C ARG A 60 19.207 4.535 0.647 1.00 0.00 C ATOM 990 O ARG A 60 18.137 3.966 0.870 1.00 0.00 O ATOM 991 CB ARG A 60 20.676 5.197 2.537 1.00 0.00 C ATOM 992 CG ARG A 60 22.064 5.145 3.190 1.00 0.00 C ATOM 993 CD ARG A 60 22.224 6.282 4.202 1.00 0.00 C ATOM 994 NE ARG A 60 23.639 6.428 4.595 1.00 0.00 N ATOM 995 CZ ARG A 60 24.091 6.908 5.760 1.00 0.00 C ATOM 996 NH1 ARG A 60 23.270 7.190 6.764 1.00 0.00 N ATOM 997 NH2 ARG A 60 25.385 7.130 5.946 1.00 0.00 N ATOM 0 H ARG A 60 22.337 4.717 0.730 1.00 0.00 H new ATOM 0 HA ARG A 60 20.332 3.171 1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 60 20.525 6.190 2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 60 19.920 5.062 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.202 4.185 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 60 22.836 5.221 2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 60 21.862 7.215 3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 60 21.614 6.081 5.083 1.00 0.00 H new ATOM 0 HE ARG A 60 24.339 6.135 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 60 22.266 7.042 6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 60 23.643 7.555 7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 60 26.049 6.935 5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 60 25.717 7.496 6.838 1.00 0.00 H new ATOM 1011 N LEU A 61 19.375 5.503 -0.258 1.00 0.00 N ATOM 1012 CA LEU A 61 18.320 6.033 -1.099 1.00 0.00 C ATOM 1013 C LEU A 61 17.694 4.896 -1.901 1.00 0.00 C ATOM 1014 O LEU A 61 16.476 4.723 -1.847 1.00 0.00 O ATOM 1015 CB LEU A 61 18.898 7.150 -1.990 1.00 0.00 C ATOM 1016 CG LEU A 61 17.900 8.235 -2.424 1.00 0.00 C ATOM 1017 CD1 LEU A 61 16.710 7.662 -3.186 1.00 0.00 C ATOM 1018 CD2 LEU A 61 17.427 9.064 -1.228 1.00 0.00 C ATOM 0 H LEU A 61 20.278 5.947 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 61 17.526 6.476 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.718 7.629 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.323 6.694 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 61 18.435 8.892 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.036 8.470 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.063 7.153 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.179 6.952 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.722 9.823 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.938 8.412 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.284 9.548 -0.759 1.00 0.00 H new ATOM 1030 N TYR A 62 18.496 4.080 -2.595 1.00 0.00 N ATOM 1031 CA TYR A 62 17.936 2.955 -3.321 1.00 0.00 C ATOM 1032 C TYR A 62 17.261 1.973 -2.358 1.00 0.00 C ATOM 1033 O TYR A 62 16.069 1.697 -2.496 1.00 0.00 O ATOM 1034 CB TYR A 62 18.962 2.222 -4.204 1.00 0.00 C ATOM 1035 CG TYR A 62 18.288 1.006 -4.817 1.00 0.00 C ATOM 1036 CD1 TYR A 62 17.317 1.196 -5.820 1.00 0.00 C ATOM 1037 CD2 TYR A 62 18.417 -0.252 -4.197 1.00 0.00 C ATOM 1038 CE1 TYR A 62 16.414 0.164 -6.132 1.00 0.00 C ATOM 1039 CE2 TYR A 62 17.518 -1.288 -4.503 1.00 0.00 C ATOM 1040 CZ TYR A 62 16.483 -1.066 -5.441 1.00 0.00 C ATOM 1041 OH TYR A 62 15.521 -2.007 -5.648 1.00 0.00 O ATOM 0 H TYR A 62 19.509 4.180 -2.664 1.00 0.00 H new ATOM 0 HA TYR A 62 17.190 3.372 -3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.331 2.885 -4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 62 19.824 1.918 -3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.266 2.136 -6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 62 19.210 -0.421 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.668 0.312 -6.899 1.00 0.00 H new ATOM 0 HE2 TYR A 62 17.617 -2.251 -4.023 1.00 0.00 H new ATOM 0 HH TYR A 62 15.712 -2.796 -5.100 1.00 0.00 H new ATOM 1051 N ASP A 63 18.014 1.482 -1.372 1.00 0.00 N ATOM 1052 CA ASP A 63 17.594 0.366 -0.531 1.00 0.00 C ATOM 1053 C ASP A 63 16.343 0.625 0.310 1.00 0.00 C ATOM 1054 O ASP A 63 15.609 -0.323 0.598 1.00 0.00 O ATOM 1055 CB ASP A 63 18.763 -0.063 0.361 1.00 0.00 C ATOM 1056 CG ASP A 63 18.415 -1.308 1.195 1.00 0.00 C ATOM 1057 OD1 ASP A 63 18.232 -2.399 0.611 1.00 0.00 O ATOM 1058 OD2 ASP A 63 18.381 -1.216 2.442 1.00 0.00 O ATOM 0 H ASP A 63 18.935 1.850 -1.136 1.00 0.00 H new ATOM 0 HA ASP A 63 17.308 -0.436 -1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.636 -0.272 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.033 0.757 1.026 1.00 0.00 H new ATOM 1063 N ASN A 64 16.046 1.880 0.671 1.00 0.00 N ATOM 1064 CA ASN A 64 14.997 2.180 1.655 1.00 0.00 C ATOM 1065 C ASN A 64 13.952 3.175 1.160 1.00 0.00 C ATOM 1066 O ASN A 64 12.958 3.378 1.861 1.00 0.00 O ATOM 1067 CB ASN A 64 15.597 2.746 2.953 1.00 0.00 C ATOM 1068 CG ASN A 64 16.711 1.911 3.556 1.00 0.00 C ATOM 1069 OD1 ASN A 64 16.484 1.037 4.388 1.00 0.00 O ATOM 1070 ND2 ASN A 64 17.935 2.198 3.153 1.00 0.00 N ATOM 0 H ASN A 64 16.517 2.704 0.297 1.00 0.00 H new ATOM 0 HA ASN A 64 14.506 1.223 1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.980 3.747 2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.800 2.850 3.690 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.731 1.687 3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 64 18.085 2.931 2.460 1.00 0.00 H new ATOM 1077 N PHE A 65 14.149 3.816 0.005 1.00 0.00 N ATOM 1078 CA PHE A 65 13.311 4.933 -0.417 1.00 0.00 C ATOM 1079 C PHE A 65 12.857 4.710 -1.862 1.00 0.00 C ATOM 1080 O PHE A 65 11.666 4.502 -2.073 1.00 0.00 O ATOM 1081 CB PHE A 65 14.093 6.229 -0.171 1.00 0.00 C ATOM 1082 CG PHE A 65 13.260 7.493 -0.150 1.00 0.00 C ATOM 1083 CD1 PHE A 65 12.822 8.078 -1.352 1.00 0.00 C ATOM 1084 CD2 PHE A 65 12.964 8.121 1.074 1.00 0.00 C ATOM 1085 CE1 PHE A 65 12.090 9.279 -1.325 1.00 0.00 C ATOM 1086 CE2 PHE A 65 12.287 9.349 1.097 1.00 0.00 C ATOM 1087 CZ PHE A 65 11.832 9.922 -0.103 1.00 0.00 C ATOM 0 H PHE A 65 14.888 3.576 -0.656 1.00 0.00 H new ATOM 0 HA PHE A 65 12.390 5.010 0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.617 6.143 0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.854 6.328 -0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.048 7.605 -2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.260 7.654 2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.725 9.708 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.115 9.854 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.286 10.854 -0.086 1.00 0.00 H new ATOM 1097 N VAL A 66 13.763 4.632 -2.845 1.00 0.00 N ATOM 1098 CA VAL A 66 13.395 4.271 -4.222 1.00 0.00 C ATOM 1099 C VAL A 66 12.839 2.842 -4.272 1.00 0.00 C ATOM 1100 O VAL A 66 11.979 2.568 -5.106 1.00 0.00 O ATOM 1101 CB VAL A 66 14.574 4.523 -5.190 1.00 0.00 C ATOM 1102 CG1 VAL A 66 14.504 3.797 -6.547 1.00 0.00 C ATOM 1103 CG2 VAL A 66 14.698 6.026 -5.478 1.00 0.00 C ATOM 0 H VAL A 66 14.758 4.814 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 66 12.589 4.919 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 66 15.437 4.114 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.383 4.049 -7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.474 2.720 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.605 4.107 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.530 6.198 -6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.775 6.387 -5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.877 6.562 -4.546 1.00 0.00 H new ATOM 1113 N SER A 67 13.213 1.948 -3.352 1.00 0.00 N ATOM 1114 CA SER A 67 12.607 0.627 -3.223 1.00 0.00 C ATOM 1115 C SER A 67 11.077 0.678 -3.048 1.00 0.00 C ATOM 1116 O SER A 67 10.394 -0.295 -3.374 1.00 0.00 O ATOM 1117 CB SER A 67 13.286 -0.112 -2.065 1.00 0.00 C ATOM 1118 OG SER A 67 13.348 0.695 -0.902 1.00 0.00 O ATOM 0 H SER A 67 13.952 2.126 -2.672 1.00 0.00 H new ATOM 0 HA SER A 67 12.767 0.083 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.738 -1.028 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.293 -0.406 -2.360 1.00 0.00 H new ATOM 0 HG SER A 67 13.479 0.126 -0.115 1.00 0.00 H new ATOM 1124 N LYS A 68 10.514 1.799 -2.578 1.00 0.00 N ATOM 1125 CA LYS A 68 9.071 1.975 -2.408 1.00 0.00 C ATOM 1126 C LYS A 68 8.370 2.404 -3.703 1.00 0.00 C ATOM 1127 O LYS A 68 7.139 2.465 -3.707 1.00 0.00 O ATOM 1128 CB LYS A 68 8.812 2.984 -1.274 1.00 0.00 C ATOM 1129 CG LYS A 68 9.253 2.445 0.098 1.00 0.00 C ATOM 1130 CD LYS A 68 9.152 3.529 1.181 1.00 0.00 C ATOM 1131 CE LYS A 68 9.301 2.977 2.610 1.00 0.00 C ATOM 1132 NZ LYS A 68 10.585 2.265 2.836 1.00 0.00 N ATOM 0 H LYS A 68 11.057 2.617 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 68 8.643 1.008 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.345 3.911 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.750 3.227 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.631 1.593 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.280 2.084 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.923 4.280 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.190 4.033 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.221 3.800 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.475 2.296 2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.707 2.083 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.576 1.362 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.372 2.852 2.493 1.00 0.00 H new ATOM 1146 N PHE A 69 9.097 2.713 -4.785 1.00 0.00 N ATOM 1147 CA PHE A 69 8.524 3.164 -6.056 1.00 0.00 C ATOM 1148 C PHE A 69 9.406 2.782 -7.259 1.00 0.00 C ATOM 1149 O PHE A 69 9.392 3.465 -8.285 1.00 0.00 O ATOM 1150 CB PHE A 69 8.209 4.676 -5.998 1.00 0.00 C ATOM 1151 CG PHE A 69 9.350 5.603 -5.609 1.00 0.00 C ATOM 1152 CD1 PHE A 69 9.547 5.926 -4.253 1.00 0.00 C ATOM 1153 CD2 PHE A 69 10.175 6.192 -6.588 1.00 0.00 C ATOM 1154 CE1 PHE A 69 10.549 6.836 -3.879 1.00 0.00 C ATOM 1155 CE2 PHE A 69 11.182 7.101 -6.211 1.00 0.00 C ATOM 1156 CZ PHE A 69 11.364 7.428 -4.856 1.00 0.00 C ATOM 0 H PHE A 69 10.115 2.655 -4.800 1.00 0.00 H new ATOM 0 HA PHE A 69 7.581 2.640 -6.209 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.841 4.983 -6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.394 4.826 -5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.924 5.472 -3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.034 5.946 -7.630 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.693 7.081 -2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.815 7.547 -6.964 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.129 8.133 -4.568 1.00 0.00 H new ATOM 1166 N TYR A 70 10.190 1.702 -7.170 1.00 0.00 N ATOM 1167 CA TYR A 70 10.964 1.233 -8.316 1.00 0.00 C ATOM 1168 C TYR A 70 10.018 0.820 -9.456 1.00 0.00 C ATOM 1169 O TYR A 70 8.841 0.526 -9.231 1.00 0.00 O ATOM 1170 CB TYR A 70 11.992 0.166 -7.919 1.00 0.00 C ATOM 1171 CG TYR A 70 11.463 -1.244 -7.792 1.00 0.00 C ATOM 1172 CD1 TYR A 70 10.959 -1.709 -6.566 1.00 0.00 C ATOM 1173 CD2 TYR A 70 11.505 -2.104 -8.904 1.00 0.00 C ATOM 1174 CE1 TYR A 70 10.508 -3.032 -6.447 1.00 0.00 C ATOM 1175 CE2 TYR A 70 11.058 -3.427 -8.794 1.00 0.00 C ATOM 1176 CZ TYR A 70 10.562 -3.905 -7.560 1.00 0.00 C ATOM 1177 OH TYR A 70 10.168 -5.203 -7.418 1.00 0.00 O ATOM 0 H TYR A 70 10.303 1.144 -6.324 1.00 0.00 H new ATOM 0 HA TYR A 70 11.570 2.053 -8.702 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.793 0.168 -8.658 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.437 0.454 -6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.919 -1.047 -5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.884 -1.742 -9.848 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.119 -3.385 -5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 70 11.092 -4.082 -9.652 1.00 0.00 H new ATOM 0 HH TYR A 70 10.265 -5.670 -8.274 1.00 0.00 H new ATOM 1187 N ASP A 71 10.524 0.851 -10.693 1.00 0.00 N ATOM 1188 CA ASP A 71 9.785 0.700 -11.957 1.00 0.00 C ATOM 1189 C ASP A 71 8.797 1.839 -12.265 1.00 0.00 C ATOM 1190 O ASP A 71 8.451 2.030 -13.430 1.00 0.00 O ATOM 1191 CB ASP A 71 9.119 -0.682 -12.087 1.00 0.00 C ATOM 1192 CG ASP A 71 8.706 -0.971 -13.540 1.00 0.00 C ATOM 1193 OD1 ASP A 71 9.606 -1.080 -14.407 1.00 0.00 O ATOM 1194 OD2 ASP A 71 7.494 -1.124 -13.811 1.00 0.00 O ATOM 0 H ASP A 71 11.522 0.991 -10.851 1.00 0.00 H new ATOM 0 HA ASP A 71 10.553 0.774 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.808 -1.453 -11.743 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.242 -0.727 -11.442 1.00 0.00 H new ATOM 1199 N LYS A 72 8.388 2.659 -11.279 1.00 0.00 N ATOM 1200 CA LYS A 72 7.631 3.894 -11.548 1.00 0.00 C ATOM 1201 C LYS A 72 8.511 4.926 -12.261 1.00 0.00 C ATOM 1202 O LYS A 72 7.983 5.866 -12.852 1.00 0.00 O ATOM 1203 CB LYS A 72 7.084 4.537 -10.260 1.00 0.00 C ATOM 1204 CG LYS A 72 6.202 3.649 -9.369 1.00 0.00 C ATOM 1205 CD LYS A 72 4.910 3.201 -10.065 1.00 0.00 C ATOM 1206 CE LYS A 72 3.972 2.549 -9.040 1.00 0.00 C ATOM 1207 NZ LYS A 72 2.712 2.067 -9.658 1.00 0.00 N ATOM 0 H LYS A 72 8.569 2.488 -10.290 1.00 0.00 H new ATOM 0 HA LYS A 72 6.792 3.605 -12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.930 4.882 -9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.508 5.420 -10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.770 2.769 -9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.949 4.193 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.420 4.057 -10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.141 2.495 -10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.483 1.713 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.738 3.269 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.111 1.635 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.209 2.868 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.932 1.360 -10.389 1.00 0.00 H new ATOM 1221 N ILE A 73 9.834 4.763 -12.198 1.00 0.00 N ATOM 1222 CA ILE A 73 10.836 5.647 -12.776 1.00 0.00 C ATOM 1223 C ILE A 73 11.838 4.804 -13.564 1.00 0.00 C ATOM 1224 O ILE A 73 11.782 3.570 -13.532 1.00 0.00 O ATOM 1225 CB ILE A 73 11.518 6.499 -11.678 1.00 0.00 C ATOM 1226 CG1 ILE A 73 12.173 5.648 -10.562 1.00 0.00 C ATOM 1227 CG2 ILE A 73 10.484 7.483 -11.115 1.00 0.00 C ATOM 1228 CD1 ILE A 73 13.146 6.448 -9.686 1.00 0.00 C ATOM 0 H ILE A 73 10.252 3.967 -11.716 1.00 0.00 H new ATOM 0 HA ILE A 73 10.363 6.352 -13.460 1.00 0.00 H new ATOM 0 HB ILE A 73 12.345 7.047 -12.130 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.392 5.223 -9.932 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.706 4.812 -11.016 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.947 8.093 -10.339 1.00 0.00 H new ATOM 0 HG22 ILE A 73 10.122 8.128 -11.916 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.648 6.928 -10.690 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.571 5.795 -8.924 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.947 6.851 -10.306 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.613 7.268 -9.205 1.00 0.00 H new ATOM 1240 N ASN A 74 12.741 5.484 -14.276 1.00 0.00 N ATOM 1241 CA ASN A 74 13.724 4.855 -15.147 1.00 0.00 C ATOM 1242 C ASN A 74 14.502 3.776 -14.397 1.00 0.00 C ATOM 1243 O ASN A 74 15.167 4.053 -13.399 1.00 0.00 O ATOM 1244 CB ASN A 74 14.676 5.917 -15.718 1.00 0.00 C ATOM 1245 CG ASN A 74 15.828 5.305 -16.511 1.00 0.00 C ATOM 1246 OD1 ASN A 74 15.700 4.249 -17.122 1.00 0.00 O ATOM 1247 ND2 ASN A 74 16.994 5.922 -16.481 1.00 0.00 N ATOM 0 H ASN A 74 12.806 6.502 -14.260 1.00 0.00 H new ATOM 0 HA ASN A 74 13.201 4.375 -15.974 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.115 6.594 -16.362 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.079 6.515 -14.901 1.00 0.00 H new ATOM 0 HD21 ASN A 74 17.796 5.521 -16.968 1.00 0.00 H new ATOM 0 HD22 ASN A 74 17.094 6.800 -15.971 1.00 0.00 H new ATOM 1254 N GLN A 75 14.442 2.549 -14.903 1.00 0.00 N ATOM 1255 CA GLN A 75 15.055 1.383 -14.288 1.00 0.00 C ATOM 1256 C GLN A 75 16.580 1.531 -14.263 1.00 0.00 C ATOM 1257 O GLN A 75 17.225 1.141 -13.291 1.00 0.00 O ATOM 1258 CB GLN A 75 14.625 0.117 -15.056 1.00 0.00 C ATOM 1259 CG GLN A 75 13.097 -0.113 -15.093 1.00 0.00 C ATOM 1260 CD GLN A 75 12.303 0.754 -16.081 1.00 0.00 C ATOM 1261 OE1 GLN A 75 12.850 1.432 -16.945 1.00 0.00 O ATOM 1262 NE2 GLN A 75 10.985 0.771 -15.965 1.00 0.00 N ATOM 0 H GLN A 75 13.954 2.335 -15.773 1.00 0.00 H new ATOM 0 HA GLN A 75 14.719 1.294 -13.255 1.00 0.00 H new ATOM 0 HB2 GLN A 75 14.996 0.182 -16.079 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.101 -0.751 -14.599 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.914 -1.160 -15.333 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.701 0.058 -14.092 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.529 0.208 -15.247 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.425 1.347 -16.593 1.00 0.00 H new ATOM 1271 N LEU A 76 17.156 2.165 -15.293 1.00 0.00 N ATOM 1272 CA LEU A 76 18.584 2.472 -15.319 1.00 0.00 C ATOM 1273 C LEU A 76 18.918 3.539 -14.277 1.00 0.00 C ATOM 1274 O LEU A 76 20.027 3.515 -13.762 1.00 0.00 O ATOM 1275 CB LEU A 76 19.036 2.896 -16.727 1.00 0.00 C ATOM 1276 CG LEU A 76 18.848 1.810 -17.805 1.00 0.00 C ATOM 1277 CD1 LEU A 76 19.334 2.343 -19.155 1.00 0.00 C ATOM 1278 CD2 LEU A 76 19.583 0.507 -17.458 1.00 0.00 C ATOM 0 H LEU A 76 16.648 2.475 -16.121 1.00 0.00 H new ATOM 0 HA LEU A 76 19.135 1.567 -15.063 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.480 3.785 -17.022 1.00 0.00 H new ATOM 0 HB3 LEU A 76 20.089 3.176 -16.689 1.00 0.00 H new ATOM 0 HG LEU A 76 17.785 1.574 -17.855 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.202 1.576 -19.918 1.00 0.00 H new ATOM 0 HD12 LEU A 76 18.758 3.228 -19.426 1.00 0.00 H new ATOM 0 HD13 LEU A 76 20.390 2.606 -19.084 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.419 -0.225 -18.249 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.651 0.706 -17.363 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.202 0.114 -16.515 1.00 0.00 H new ATOM 1290 N SER A 77 17.995 4.431 -13.899 1.00 0.00 N ATOM 1291 CA SER A 77 18.242 5.376 -12.819 1.00 0.00 C ATOM 1292 C SER A 77 18.293 4.671 -11.465 1.00 0.00 C ATOM 1293 O SER A 77 19.215 4.952 -10.703 1.00 0.00 O ATOM 1294 CB SER A 77 17.244 6.534 -12.834 1.00 0.00 C ATOM 1295 OG SER A 77 17.475 7.341 -13.984 1.00 0.00 O ATOM 0 H SER A 77 17.073 4.513 -14.328 1.00 0.00 H new ATOM 0 HA SER A 77 19.225 5.816 -12.987 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.224 6.150 -12.844 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.350 7.132 -11.929 1.00 0.00 H new ATOM 0 HG SER A 77 16.835 8.083 -13.997 1.00 0.00 H new ATOM 1301 N VAL A 78 17.390 3.729 -11.157 1.00 0.00 N ATOM 1302 CA VAL A 78 17.421 3.096 -9.834 1.00 0.00 C ATOM 1303 C VAL A 78 18.752 2.357 -9.638 1.00 0.00 C ATOM 1304 O VAL A 78 19.412 2.520 -8.603 1.00 0.00 O ATOM 1305 CB VAL A 78 16.171 2.242 -9.518 1.00 0.00 C ATOM 1306 CG1 VAL A 78 14.874 2.952 -9.940 1.00 0.00 C ATOM 1307 CG2 VAL A 78 16.151 0.816 -10.083 1.00 0.00 C ATOM 0 H VAL A 78 16.654 3.398 -11.782 1.00 0.00 H new ATOM 0 HA VAL A 78 17.371 3.887 -9.086 1.00 0.00 H new ATOM 0 HB VAL A 78 16.233 2.134 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 78 14.019 2.320 -9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 78 14.786 3.898 -9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.896 3.142 -11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 78 15.224 0.322 -9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 78 16.216 0.855 -11.170 1.00 0.00 H new ATOM 0 HG23 VAL A 78 16.999 0.256 -9.689 1.00 0.00 H new ATOM 1317 N VAL A 79 19.199 1.612 -10.661 1.00 0.00 N ATOM 1318 CA VAL A 79 20.489 0.961 -10.603 1.00 0.00 C ATOM 1319 C VAL A 79 21.603 2.004 -10.590 1.00 0.00 C ATOM 1320 O VAL A 79 22.515 1.826 -9.809 1.00 0.00 O ATOM 1321 CB VAL A 79 20.658 -0.092 -11.711 1.00 0.00 C ATOM 1322 CG1 VAL A 79 19.637 -1.227 -11.569 1.00 0.00 C ATOM 1323 CG2 VAL A 79 20.591 0.483 -13.118 1.00 0.00 C ATOM 0 H VAL A 79 18.681 1.455 -11.525 1.00 0.00 H new ATOM 0 HA VAL A 79 20.554 0.403 -9.669 1.00 0.00 H new ATOM 0 HB VAL A 79 21.664 -0.488 -11.574 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.786 -1.953 -12.369 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.770 -1.717 -10.605 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.628 -0.819 -11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.718 -0.319 -13.845 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.623 0.961 -13.270 1.00 0.00 H new ATOM 0 HG23 VAL A 79 21.384 1.220 -13.248 1.00 0.00 H new ATOM 1333 N LYS A 80 21.557 3.096 -11.365 1.00 0.00 N ATOM 1334 CA LYS A 80 22.607 4.128 -11.409 1.00 0.00 C ATOM 1335 C LYS A 80 22.951 4.643 -10.010 1.00 0.00 C ATOM 1336 O LYS A 80 24.132 4.796 -9.694 1.00 0.00 O ATOM 1337 CB LYS A 80 22.123 5.240 -12.356 1.00 0.00 C ATOM 1338 CG LYS A 80 22.937 6.533 -12.462 1.00 0.00 C ATOM 1339 CD LYS A 80 22.200 7.534 -13.379 1.00 0.00 C ATOM 1340 CE LYS A 80 21.030 8.232 -12.659 1.00 0.00 C ATOM 1341 NZ LYS A 80 20.060 8.866 -13.593 1.00 0.00 N ATOM 0 H LYS A 80 20.776 3.292 -11.991 1.00 0.00 H new ATOM 0 HA LYS A 80 23.539 3.711 -11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 80 22.053 4.813 -13.356 1.00 0.00 H new ATOM 0 HB3 LYS A 80 21.112 5.512 -12.054 1.00 0.00 H new ATOM 0 HG2 LYS A 80 23.079 6.967 -11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 80 23.928 6.319 -12.862 1.00 0.00 H new ATOM 0 HD2 LYS A 80 22.905 8.285 -13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 80 21.823 7.010 -14.257 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.506 7.503 -12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 80 21.427 8.993 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.716 9.758 -13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.528 9.060 -14.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.257 8.224 -13.748 1.00 0.00 H new ATOM 1355 N TYR A 81 21.946 4.874 -9.164 1.00 0.00 N ATOM 1356 CA TYR A 81 22.160 5.333 -7.796 1.00 0.00 C ATOM 1357 C TYR A 81 22.863 4.241 -6.973 1.00 0.00 C ATOM 1358 O TYR A 81 23.939 4.477 -6.405 1.00 0.00 O ATOM 1359 CB TYR A 81 20.805 5.742 -7.188 1.00 0.00 C ATOM 1360 CG TYR A 81 19.950 6.669 -8.046 1.00 0.00 C ATOM 1361 CD1 TYR A 81 20.525 7.758 -8.736 1.00 0.00 C ATOM 1362 CD2 TYR A 81 18.568 6.423 -8.165 1.00 0.00 C ATOM 1363 CE1 TYR A 81 19.727 8.588 -9.545 1.00 0.00 C ATOM 1364 CE2 TYR A 81 17.767 7.238 -8.985 1.00 0.00 C ATOM 1365 CZ TYR A 81 18.342 8.333 -9.666 1.00 0.00 C ATOM 1366 OH TYR A 81 17.549 9.144 -10.420 1.00 0.00 O ATOM 0 H TYR A 81 20.964 4.748 -9.410 1.00 0.00 H new ATOM 0 HA TYR A 81 22.814 6.205 -7.787 1.00 0.00 H new ATOM 0 HB2 TYR A 81 20.233 4.838 -6.980 1.00 0.00 H new ATOM 0 HB3 TYR A 81 20.989 6.230 -6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.583 7.955 -8.643 1.00 0.00 H new ATOM 0 HD2 TYR A 81 18.121 5.603 -7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 81 20.172 9.419 -10.073 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.713 7.026 -9.094 1.00 0.00 H new ATOM 0 HH TYR A 81 18.109 9.749 -10.949 1.00 0.00 H new ATOM 1376 N LEU A 82 22.275 3.033 -6.956 1.00 0.00 N ATOM 1377 CA LEU A 82 22.825 1.903 -6.204 1.00 0.00 C ATOM 1378 C LEU A 82 24.257 1.602 -6.655 1.00 0.00 C ATOM 1379 O LEU A 82 25.148 1.455 -5.822 1.00 0.00 O ATOM 1380 CB LEU A 82 21.923 0.667 -6.377 1.00 0.00 C ATOM 1381 CG LEU A 82 22.445 -0.598 -5.663 1.00 0.00 C ATOM 1382 CD1 LEU A 82 22.574 -0.420 -4.147 1.00 0.00 C ATOM 1383 CD2 LEU A 82 21.500 -1.767 -5.951 1.00 0.00 C ATOM 0 H LEU A 82 21.414 2.818 -7.459 1.00 0.00 H new ATOM 0 HA LEU A 82 22.855 2.165 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 82 20.928 0.901 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 82 21.817 0.454 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 82 23.444 -0.795 -6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 82 22.945 -1.343 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 82 23.270 0.391 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.598 -0.181 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 82 21.865 -2.663 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 82 20.502 -1.527 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.459 -1.945 -7.026 1.00 0.00 H new ATOM 1395 N LEU A 83 24.460 1.547 -7.974 1.00 0.00 N ATOM 1396 CA LEU A 83 25.733 1.340 -8.644 1.00 0.00 C ATOM 1397 C LEU A 83 26.740 2.333 -8.099 1.00 0.00 C ATOM 1398 O LEU A 83 27.762 1.890 -7.598 1.00 0.00 O ATOM 1399 CB LEU A 83 25.598 1.493 -10.182 1.00 0.00 C ATOM 1400 CG LEU A 83 24.988 0.277 -10.914 1.00 0.00 C ATOM 1401 CD1 LEU A 83 24.454 0.640 -12.315 1.00 0.00 C ATOM 1402 CD2 LEU A 83 26.031 -0.839 -11.060 1.00 0.00 C ATOM 0 H LEU A 83 23.691 1.653 -8.636 1.00 0.00 H new ATOM 0 HA LEU A 83 26.072 0.322 -8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 83 24.983 2.368 -10.391 1.00 0.00 H new ATOM 0 HB3 LEU A 83 26.585 1.690 -10.599 1.00 0.00 H new ATOM 0 HG LEU A 83 24.150 -0.062 -10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.036 -0.249 -12.787 1.00 0.00 H new ATOM 0 HD12 LEU A 83 23.679 1.400 -12.223 1.00 0.00 H new ATOM 0 HD13 LEU A 83 25.270 1.026 -12.927 1.00 0.00 H new ATOM 0 HD21 LEU A 83 25.585 -1.688 -11.578 1.00 0.00 H new ATOM 0 HD22 LEU A 83 26.881 -0.470 -11.634 1.00 0.00 H new ATOM 0 HD23 LEU A 83 26.369 -1.153 -10.072 1.00 0.00 H new ATOM 1414 N ALA A 84 26.480 3.644 -8.134 1.00 0.00 N ATOM 1415 CA ALA A 84 27.519 4.593 -7.752 1.00 0.00 C ATOM 1416 C ALA A 84 28.025 4.329 -6.339 1.00 0.00 C ATOM 1417 O ALA A 84 29.238 4.304 -6.122 1.00 0.00 O ATOM 1418 CB ALA A 84 27.020 6.040 -7.825 1.00 0.00 C ATOM 0 H ALA A 84 25.590 4.058 -8.413 1.00 0.00 H new ATOM 0 HA ALA A 84 28.333 4.454 -8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 84 27.823 6.717 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 84 26.707 6.266 -8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 84 26.174 6.168 -7.149 1.00 0.00 H new ATOM 1424 N SER A 85 27.116 4.101 -5.391 1.00 0.00 N ATOM 1425 CA SER A 85 27.536 3.817 -4.024 1.00 0.00 C ATOM 1426 C SER A 85 28.254 2.471 -3.901 1.00 0.00 C ATOM 1427 O SER A 85 29.298 2.368 -3.255 1.00 0.00 O ATOM 1428 CB SER A 85 26.322 3.823 -3.109 1.00 0.00 C ATOM 1429 OG SER A 85 25.540 4.976 -3.322 1.00 0.00 O ATOM 0 H SER A 85 26.107 4.107 -5.541 1.00 0.00 H new ATOM 0 HA SER A 85 28.242 4.595 -3.732 1.00 0.00 H new ATOM 0 HB2 SER A 85 25.721 2.932 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 85 26.645 3.784 -2.069 1.00 0.00 H new ATOM 0 HG SER A 85 25.991 5.754 -2.932 1.00 0.00 H new ATOM 1435 N LEU A 86 27.700 1.423 -4.507 1.00 0.00 N ATOM 1436 CA LEU A 86 28.162 0.063 -4.277 1.00 0.00 C ATOM 1437 C LEU A 86 29.448 -0.241 -5.055 1.00 0.00 C ATOM 1438 O LEU A 86 30.315 -0.944 -4.545 1.00 0.00 O ATOM 1439 CB LEU A 86 27.009 -0.894 -4.602 1.00 0.00 C ATOM 1440 CG LEU A 86 27.189 -2.327 -4.072 1.00 0.00 C ATOM 1441 CD1 LEU A 86 27.501 -2.413 -2.572 1.00 0.00 C ATOM 1442 CD2 LEU A 86 25.887 -3.088 -4.330 1.00 0.00 C ATOM 0 H LEU A 86 26.924 1.495 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 86 28.437 -0.071 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 86 26.087 -0.483 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 86 26.884 -0.935 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 86 28.047 -2.751 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 86 27.612 -3.458 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 86 28.427 -1.878 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 86 26.686 -1.964 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 86 25.984 -4.110 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 86 25.067 -2.593 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 86 25.681 -3.104 -5.400 1.00 0.00 H new ATOM 1454 N LYS A 87 29.622 0.350 -6.243 1.00 0.00 N ATOM 1455 CA LYS A 87 30.870 0.290 -7.006 1.00 0.00 C ATOM 1456 C LYS A 87 31.968 1.056 -6.264 1.00 0.00 C ATOM 1457 O LYS A 87 33.118 0.618 -6.272 1.00 0.00 O ATOM 1458 CB LYS A 87 30.688 0.898 -8.413 1.00 0.00 C ATOM 1459 CG LYS A 87 29.616 0.249 -9.313 1.00 0.00 C ATOM 1460 CD LYS A 87 29.992 -1.057 -10.035 1.00 0.00 C ATOM 1461 CE LYS A 87 31.146 -0.892 -11.033 1.00 0.00 C ATOM 1462 NZ LYS A 87 31.118 -1.921 -12.102 1.00 0.00 N ATOM 0 H LYS A 87 28.890 0.889 -6.705 1.00 0.00 H new ATOM 0 HA LYS A 87 31.153 -0.757 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 87 30.443 1.954 -8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 87 31.645 0.847 -8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 87 28.736 0.054 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 87 29.324 0.979 -10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 87 30.267 -1.807 -9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 87 29.117 -1.437 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 87 31.094 0.099 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 87 32.095 -0.950 -10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 32.089 -2.127 -12.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 30.679 -2.790 -11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 30.566 -1.568 -12.909 1.00 0.00 H new ATOM 1476 N ASP A 88 31.635 2.198 -5.646 1.00 0.00 N ATOM 1477 CA ASP A 88 32.603 3.004 -4.894 1.00 0.00 C ATOM 1478 C ASP A 88 33.022 2.326 -3.585 1.00 0.00 C ATOM 1479 O ASP A 88 34.153 2.513 -3.131 1.00 0.00 O ATOM 1480 CB ASP A 88 32.026 4.392 -4.592 1.00 0.00 C ATOM 1481 CG ASP A 88 33.007 5.245 -3.773 1.00 0.00 C ATOM 1482 OD1 ASP A 88 34.024 5.709 -4.337 1.00 0.00 O ATOM 1483 OD2 ASP A 88 32.748 5.489 -2.573 1.00 0.00 O ATOM 0 H ASP A 88 30.692 2.586 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 88 33.490 3.105 -5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.793 4.901 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.090 4.286 -4.044 1.00 0.00 H new ATOM 1488 N SER A 89 32.128 1.526 -2.995 1.00 0.00 N ATOM 1489 CA SER A 89 32.414 0.737 -1.800 1.00 0.00 C ATOM 1490 C SER A 89 33.610 -0.213 -2.024 1.00 0.00 C ATOM 1491 O SER A 89 33.940 -0.579 -3.155 1.00 0.00 O ATOM 1492 CB SER A 89 31.149 -0.014 -1.360 1.00 0.00 C ATOM 1493 OG SER A 89 30.090 0.888 -1.074 1.00 0.00 O ATOM 0 H SER A 89 31.175 1.409 -3.340 1.00 0.00 H new ATOM 0 HA SER A 89 32.706 1.409 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 89 30.841 -0.704 -2.146 1.00 0.00 H new ATOM 0 HB3 SER A 89 31.368 -0.614 -0.477 1.00 0.00 H new ATOM 0 HG SER A 89 29.812 1.338 -1.899 1.00 0.00 H new ATOM 1499 N LYS A 90 34.262 -0.618 -0.927 1.00 0.00 N ATOM 1500 CA LYS A 90 35.543 -1.340 -0.916 1.00 0.00 C ATOM 1501 C LYS A 90 35.531 -2.767 -1.493 1.00 0.00 C ATOM 1502 O LYS A 90 36.527 -3.479 -1.358 1.00 0.00 O ATOM 1503 CB LYS A 90 36.172 -1.250 0.494 1.00 0.00 C ATOM 1504 CG LYS A 90 35.300 -1.700 1.681 1.00 0.00 C ATOM 1505 CD LYS A 90 34.757 -3.126 1.540 1.00 0.00 C ATOM 1506 CE LYS A 90 34.060 -3.557 2.840 1.00 0.00 C ATOM 1507 NZ LYS A 90 33.526 -4.940 2.767 1.00 0.00 N ATOM 0 H LYS A 90 33.900 -0.446 0.011 1.00 0.00 H new ATOM 0 HA LYS A 90 36.183 -0.828 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 90 37.083 -1.849 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 90 36.470 -0.216 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 90 35.886 -1.633 2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 90 34.462 -1.011 1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 90 34.054 -3.175 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 90 35.572 -3.813 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 90 34.766 -3.487 3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 90 33.245 -2.867 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 33.066 -5.182 3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 32.832 -5.004 1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 34.306 -5.604 2.587 1.00 0.00 H new ATOM 1521 N ASP A 91 34.438 -3.220 -2.105 1.00 0.00 N ATOM 1522 CA ASP A 91 34.295 -4.561 -2.671 1.00 0.00 C ATOM 1523 C ASP A 91 33.290 -4.500 -3.823 1.00 0.00 C ATOM 1524 O ASP A 91 32.393 -3.655 -3.791 1.00 0.00 O ATOM 1525 CB ASP A 91 33.793 -5.530 -1.592 1.00 0.00 C ATOM 1526 CG ASP A 91 33.594 -6.927 -2.189 1.00 0.00 C ATOM 1527 OD1 ASP A 91 34.589 -7.670 -2.332 1.00 0.00 O ATOM 1528 OD2 ASP A 91 32.449 -7.246 -2.571 1.00 0.00 O ATOM 0 H ASP A 91 33.603 -2.647 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 91 35.259 -4.915 -3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 91 34.509 -5.575 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 91 32.853 -5.167 -1.175 1.00 0.00 H new ATOM 1533 N PHE A 92 33.416 -5.390 -4.818 1.00 0.00 N ATOM 1534 CA PHE A 92 32.539 -5.433 -5.990 1.00 0.00 C ATOM 1535 C PHE A 92 31.896 -6.810 -6.216 1.00 0.00 C ATOM 1536 O PHE A 92 31.064 -6.958 -7.114 1.00 0.00 O ATOM 1537 CB PHE A 92 33.294 -4.931 -7.229 1.00 0.00 C ATOM 1538 CG PHE A 92 34.482 -5.781 -7.654 1.00 0.00 C ATOM 1539 CD1 PHE A 92 34.297 -6.883 -8.510 1.00 0.00 C ATOM 1540 CD2 PHE A 92 35.776 -5.463 -7.199 1.00 0.00 C ATOM 1541 CE1 PHE A 92 35.398 -7.663 -8.909 1.00 0.00 C ATOM 1542 CE2 PHE A 92 36.877 -6.243 -7.600 1.00 0.00 C ATOM 1543 CZ PHE A 92 36.688 -7.341 -8.455 1.00 0.00 C ATOM 0 H PHE A 92 34.140 -6.108 -4.828 1.00 0.00 H new ATOM 0 HA PHE A 92 31.702 -4.761 -5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 92 32.594 -4.872 -8.062 1.00 0.00 H new ATOM 0 HB3 PHE A 92 33.644 -3.917 -7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 92 33.306 -7.131 -8.862 1.00 0.00 H new ATOM 0 HD2 PHE A 92 35.924 -4.619 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 92 35.251 -8.509 -9.564 1.00 0.00 H new ATOM 0 HE2 PHE A 92 37.868 -5.997 -7.250 1.00 0.00 H new ATOM 0 HZ PHE A 92 37.534 -7.938 -8.763 1.00 0.00 H new ATOM 1553 N ASP A 93 32.225 -7.818 -5.405 1.00 0.00 N ATOM 1554 CA ASP A 93 31.493 -9.086 -5.410 1.00 0.00 C ATOM 1555 C ASP A 93 30.094 -8.841 -4.832 1.00 0.00 C ATOM 1556 O ASP A 93 29.101 -9.378 -5.319 1.00 0.00 O ATOM 1557 CB ASP A 93 32.249 -10.131 -4.583 1.00 0.00 C ATOM 1558 CG ASP A 93 31.376 -11.355 -4.285 1.00 0.00 C ATOM 1559 OD1 ASP A 93 31.169 -12.192 -5.191 1.00 0.00 O ATOM 1560 OD2 ASP A 93 30.936 -11.500 -3.122 1.00 0.00 O ATOM 0 H ASP A 93 32.994 -7.780 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 93 31.403 -9.466 -6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 93 33.144 -10.444 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 93 32.581 -9.684 -3.646 1.00 0.00 H new ATOM 1565 N GLU A 94 30.000 -7.943 -3.850 1.00 0.00 N ATOM 1566 CA GLU A 94 28.733 -7.459 -3.336 1.00 0.00 C ATOM 1567 C GLU A 94 27.938 -6.738 -4.439 1.00 0.00 C ATOM 1568 O GLU A 94 26.720 -6.899 -4.508 1.00 0.00 O ATOM 1569 CB GLU A 94 29.020 -6.531 -2.143 1.00 0.00 C ATOM 1570 CG GLU A 94 27.797 -6.242 -1.267 1.00 0.00 C ATOM 1571 CD GLU A 94 27.436 -7.431 -0.354 1.00 0.00 C ATOM 1572 OE1 GLU A 94 26.934 -8.466 -0.847 1.00 0.00 O ATOM 1573 OE2 GLU A 94 27.650 -7.334 0.877 1.00 0.00 O ATOM 0 H GLU A 94 30.812 -7.532 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 94 28.118 -8.294 -3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 94 29.798 -6.981 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 94 29.416 -5.587 -2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 94 27.992 -5.362 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 94 26.945 -6.004 -1.904 1.00 0.00 H new ATOM 1580 N SER A 95 28.604 -5.999 -5.338 1.00 0.00 N ATOM 1581 CA SER A 95 27.941 -5.338 -6.460 1.00 0.00 C ATOM 1582 C SER A 95 27.331 -6.369 -7.406 1.00 0.00 C ATOM 1583 O SER A 95 26.166 -6.234 -7.782 1.00 0.00 O ATOM 1584 CB SER A 95 28.911 -4.435 -7.232 1.00 0.00 C ATOM 1585 OG SER A 95 29.623 -3.592 -6.352 1.00 0.00 O ATOM 0 H SER A 95 29.612 -5.846 -5.304 1.00 0.00 H new ATOM 0 HA SER A 95 27.147 -4.715 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 95 29.611 -5.048 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 95 28.358 -3.832 -7.952 1.00 0.00 H new ATOM 0 HG SER A 95 30.237 -3.026 -6.866 1.00 0.00 H new ATOM 1591 N LEU A 96 28.086 -7.417 -7.756 1.00 0.00 N ATOM 1592 CA LEU A 96 27.614 -8.521 -8.569 1.00 0.00 C ATOM 1593 C LEU A 96 26.336 -9.100 -7.957 1.00 0.00 C ATOM 1594 O LEU A 96 25.328 -9.216 -8.650 1.00 0.00 O ATOM 1595 CB LEU A 96 28.769 -9.524 -8.696 1.00 0.00 C ATOM 1596 CG LEU A 96 28.523 -10.738 -9.598 1.00 0.00 C ATOM 1597 CD1 LEU A 96 27.702 -11.837 -8.918 1.00 0.00 C ATOM 1598 CD2 LEU A 96 27.924 -10.359 -10.950 1.00 0.00 C ATOM 0 H LEU A 96 29.061 -7.514 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 96 27.335 -8.211 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.643 -8.992 -9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 96 29.019 -9.885 -7.698 1.00 0.00 H new ATOM 0 HG LEU A 96 29.513 -11.154 -9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 96 27.563 -12.668 -9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 96 28.228 -12.188 -8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 96 26.729 -11.439 -8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 96 27.772 -11.259 -11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 96 26.968 -9.859 -10.797 1.00 0.00 H new ATOM 0 HD23 LEU A 96 28.604 -9.688 -11.474 1.00 0.00 H new ATOM 1610 N LYS A 97 26.347 -9.395 -6.654 1.00 0.00 N ATOM 1611 CA LYS A 97 25.194 -9.965 -5.958 1.00 0.00 C ATOM 1612 C LYS A 97 23.997 -9.014 -5.983 1.00 0.00 C ATOM 1613 O LYS A 97 22.911 -9.410 -6.406 1.00 0.00 O ATOM 1614 CB LYS A 97 25.588 -10.312 -4.515 1.00 0.00 C ATOM 1615 CG LYS A 97 26.502 -11.543 -4.475 1.00 0.00 C ATOM 1616 CD LYS A 97 27.189 -11.667 -3.114 1.00 0.00 C ATOM 1617 CE LYS A 97 28.010 -12.959 -3.094 1.00 0.00 C ATOM 1618 NZ LYS A 97 28.957 -13.009 -1.958 1.00 0.00 N ATOM 0 H LYS A 97 27.157 -9.245 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 97 24.891 -10.875 -6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 97 26.096 -9.462 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 97 24.691 -10.501 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.918 -12.441 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 97 27.253 -11.469 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 97 27.834 -10.807 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 97 26.447 -11.679 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 97 27.336 -13.814 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 97 28.563 -13.049 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 29.288 -13.986 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 29.771 -12.392 -2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 28.479 -12.684 -1.093 1.00 0.00 H new ATOM 1632 N TYR A 98 24.181 -7.771 -5.536 1.00 0.00 N ATOM 1633 CA TYR A 98 23.093 -6.809 -5.390 1.00 0.00 C ATOM 1634 C TYR A 98 22.453 -6.498 -6.735 1.00 0.00 C ATOM 1635 O TYR A 98 21.226 -6.425 -6.817 1.00 0.00 O ATOM 1636 CB TYR A 98 23.602 -5.517 -4.747 1.00 0.00 C ATOM 1637 CG TYR A 98 23.569 -5.474 -3.225 1.00 0.00 C ATOM 1638 CD1 TYR A 98 24.133 -6.508 -2.451 1.00 0.00 C ATOM 1639 CD2 TYR A 98 22.959 -4.382 -2.575 1.00 0.00 C ATOM 1640 CE1 TYR A 98 24.073 -6.459 -1.047 1.00 0.00 C ATOM 1641 CE2 TYR A 98 22.909 -4.317 -1.170 1.00 0.00 C ATOM 1642 CZ TYR A 98 23.465 -5.362 -0.398 1.00 0.00 C ATOM 1643 OH TYR A 98 23.423 -5.324 0.965 1.00 0.00 O ATOM 0 H TYR A 98 25.093 -7.404 -5.265 1.00 0.00 H new ATOM 0 HA TYR A 98 22.338 -7.256 -4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 98 24.629 -5.351 -5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 98 23.008 -4.686 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 98 24.614 -7.343 -2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 98 22.525 -3.586 -3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 98 24.494 -7.264 -0.462 1.00 0.00 H new ATOM 0 HE2 TYR A 98 22.447 -3.471 -0.683 1.00 0.00 H new ATOM 0 HH TYR A 98 22.973 -4.504 1.256 1.00 0.00 H new ATOM 1653 N LEU A 99 23.246 -6.301 -7.790 1.00 0.00 N ATOM 1654 CA LEU A 99 22.698 -5.867 -9.065 1.00 0.00 C ATOM 1655 C LEU A 99 22.167 -7.063 -9.848 1.00 0.00 C ATOM 1656 O LEU A 99 21.247 -6.873 -10.637 1.00 0.00 O ATOM 1657 CB LEU A 99 23.702 -5.023 -9.867 1.00 0.00 C ATOM 1658 CG LEU A 99 23.788 -3.532 -9.481 1.00 0.00 C ATOM 1659 CD1 LEU A 99 22.481 -2.780 -9.765 1.00 0.00 C ATOM 1660 CD2 LEU A 99 24.208 -3.294 -8.025 1.00 0.00 C ATOM 0 H LEU A 99 24.257 -6.435 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 99 21.854 -5.206 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 99 24.692 -5.466 -9.753 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.442 -5.091 -10.923 1.00 0.00 H new ATOM 0 HG LEU A 99 24.576 -3.133 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 99 22.592 -1.735 -9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.250 -2.840 -10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 99 21.670 -3.230 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 99 24.246 -2.223 -7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.484 -3.760 -7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 99 25.192 -3.730 -7.854 1.00 0.00 H new ATOM 1672 N ASP A 100 22.663 -8.284 -9.614 1.00 0.00 N ATOM 1673 CA ASP A 100 22.035 -9.484 -10.169 1.00 0.00 C ATOM 1674 C ASP A 100 20.648 -9.672 -9.546 1.00 0.00 C ATOM 1675 O ASP A 100 19.689 -9.974 -10.252 1.00 0.00 O ATOM 1676 CB ASP A 100 22.876 -10.735 -9.902 1.00 0.00 C ATOM 1677 CG ASP A 100 22.155 -11.992 -10.417 1.00 0.00 C ATOM 1678 OD1 ASP A 100 22.064 -12.175 -11.652 1.00 0.00 O ATOM 1679 OD2 ASP A 100 21.712 -12.821 -9.591 1.00 0.00 O ATOM 0 H ASP A 100 23.492 -8.464 -9.048 1.00 0.00 H new ATOM 0 HA ASP A 100 21.953 -9.349 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 100 23.845 -10.639 -10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 100 23.066 -10.831 -8.833 1.00 0.00 H new ATOM 1684 N ASP A 101 20.516 -9.441 -8.235 1.00 0.00 N ATOM 1685 CA ASP A 101 19.231 -9.529 -7.543 1.00 0.00 C ATOM 1686 C ASP A 101 18.278 -8.416 -7.989 1.00 0.00 C ATOM 1687 O ASP A 101 17.099 -8.670 -8.230 1.00 0.00 O ATOM 1688 CB ASP A 101 19.438 -9.474 -6.027 1.00 0.00 C ATOM 1689 CG ASP A 101 18.092 -9.550 -5.288 1.00 0.00 C ATOM 1690 OD1 ASP A 101 17.461 -10.631 -5.287 1.00 0.00 O ATOM 1691 OD2 ASP A 101 17.686 -8.549 -4.659 1.00 0.00 O ATOM 0 H ASP A 101 21.296 -9.189 -7.628 1.00 0.00 H new ATOM 0 HA ASP A 101 18.776 -10.484 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 101 20.077 -10.299 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 101 19.953 -8.552 -5.759 1.00 0.00 H new ATOM 1696 N LEU A 102 18.780 -7.190 -8.168 1.00 0.00 N ATOM 1697 CA LEU A 102 17.968 -6.083 -8.667 1.00 0.00 C ATOM 1698 C LEU A 102 17.552 -6.336 -10.123 1.00 0.00 C ATOM 1699 O LEU A 102 16.390 -6.126 -10.476 1.00 0.00 O ATOM 1700 CB LEU A 102 18.716 -4.753 -8.458 1.00 0.00 C ATOM 1701 CG LEU A 102 17.907 -3.487 -8.820 1.00 0.00 C ATOM 1702 CD1 LEU A 102 16.441 -3.513 -8.371 1.00 0.00 C ATOM 1703 CD2 LEU A 102 18.580 -2.279 -8.156 1.00 0.00 C ATOM 0 H LEU A 102 19.750 -6.942 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 102 17.040 -6.012 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 102 19.021 -4.685 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 102 19.627 -4.768 -9.056 1.00 0.00 H new ATOM 0 HG LEU A 102 17.900 -3.432 -9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.953 -2.585 -8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.932 -4.356 -8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.394 -3.617 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 102 18.024 -1.374 -8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 102 18.592 -2.418 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 102 19.603 -2.186 -8.521 1.00 0.00 H new ATOM 1715 N LYS A 103 18.447 -6.872 -10.963 1.00 0.00 N ATOM 1716 CA LYS A 103 18.080 -7.353 -12.295 1.00 0.00 C ATOM 1717 C LYS A 103 16.971 -8.389 -12.162 1.00 0.00 C ATOM 1718 O LYS A 103 16.015 -8.313 -12.924 1.00 0.00 O ATOM 1719 CB LYS A 103 19.311 -7.925 -13.029 1.00 0.00 C ATOM 1720 CG LYS A 103 18.962 -8.850 -14.209 1.00 0.00 C ATOM 1721 CD LYS A 103 20.215 -9.339 -14.946 1.00 0.00 C ATOM 1722 CE LYS A 103 19.813 -10.448 -15.935 1.00 0.00 C ATOM 1723 NZ LYS A 103 20.869 -11.475 -16.124 1.00 0.00 N ATOM 0 H LYS A 103 19.436 -6.982 -10.739 1.00 0.00 H new ATOM 0 HA LYS A 103 17.711 -6.522 -12.896 1.00 0.00 H new ATOM 0 HB2 LYS A 103 19.919 -7.098 -13.396 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.922 -8.478 -12.316 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.399 -9.708 -13.843 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.315 -8.319 -14.907 1.00 0.00 H new ATOM 0 HD2 LYS A 103 20.686 -8.512 -15.478 1.00 0.00 H new ATOM 0 HD3 LYS A 103 20.948 -9.717 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 103 18.904 -10.932 -15.578 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.577 -9.998 -16.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 20.442 -12.348 -16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.578 -11.124 -16.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 21.328 -11.673 -15.212 1.00 0.00 H new ATOM 1737 N ALA A 104 17.069 -9.330 -11.219 1.00 0.00 N ATOM 1738 CA ALA A 104 16.073 -10.381 -11.069 1.00 0.00 C ATOM 1739 C ALA A 104 14.696 -9.798 -10.739 1.00 0.00 C ATOM 1740 O ALA A 104 13.708 -10.287 -11.277 1.00 0.00 O ATOM 1741 CB ALA A 104 16.508 -11.421 -10.032 1.00 0.00 C ATOM 0 H ALA A 104 17.835 -9.381 -10.547 1.00 0.00 H new ATOM 0 HA ALA A 104 15.989 -10.895 -12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.741 -12.191 -9.945 1.00 0.00 H new ATOM 0 HB2 ALA A 104 17.447 -11.877 -10.346 1.00 0.00 H new ATOM 0 HB3 ALA A 104 16.646 -10.936 -9.066 1.00 0.00 H new ATOM 1747 N GLN A 105 14.604 -8.739 -9.925 1.00 0.00 N ATOM 1748 CA GLN A 105 13.325 -8.076 -9.659 1.00 0.00 C ATOM 1749 C GLN A 105 12.702 -7.568 -10.965 1.00 0.00 C ATOM 1750 O GLN A 105 11.525 -7.816 -11.231 1.00 0.00 O ATOM 1751 CB GLN A 105 13.496 -6.912 -8.668 1.00 0.00 C ATOM 1752 CG GLN A 105 13.802 -7.375 -7.238 1.00 0.00 C ATOM 1753 CD GLN A 105 13.993 -6.187 -6.293 1.00 0.00 C ATOM 1754 OE1 GLN A 105 15.093 -5.910 -5.826 1.00 0.00 O ATOM 1755 NE2 GLN A 105 12.934 -5.449 -5.990 1.00 0.00 N ATOM 0 H GLN A 105 15.400 -8.325 -9.440 1.00 0.00 H new ATOM 0 HA GLN A 105 12.657 -8.811 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.302 -6.265 -9.014 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.586 -6.312 -8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 105 12.988 -8.002 -6.875 1.00 0.00 H new ATOM 0 HG3 GLN A 105 14.702 -7.990 -7.238 1.00 0.00 H new ATOM 0 HE21 GLN A 105 12.021 -5.683 -6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 105 13.032 -4.648 -5.367 1.00 0.00 H new ATOM 1764 N PHE A 106 13.487 -6.897 -11.808 1.00 0.00 N ATOM 1765 CA PHE A 106 13.006 -6.421 -13.101 1.00 0.00 C ATOM 1766 C PHE A 106 12.701 -7.592 -14.043 1.00 0.00 C ATOM 1767 O PHE A 106 11.719 -7.542 -14.775 1.00 0.00 O ATOM 1768 CB PHE A 106 14.010 -5.427 -13.694 1.00 0.00 C ATOM 1769 CG PHE A 106 14.010 -4.074 -13.000 1.00 0.00 C ATOM 1770 CD1 PHE A 106 12.849 -3.276 -13.041 1.00 0.00 C ATOM 1771 CD2 PHE A 106 15.149 -3.607 -12.310 1.00 0.00 C ATOM 1772 CE1 PHE A 106 12.826 -2.031 -12.393 1.00 0.00 C ATOM 1773 CE2 PHE A 106 15.124 -2.353 -11.668 1.00 0.00 C ATOM 1774 CZ PHE A 106 13.962 -1.566 -11.715 1.00 0.00 C ATOM 0 H PHE A 106 14.463 -6.671 -11.615 1.00 0.00 H new ATOM 0 HA PHE A 106 12.063 -5.892 -12.963 1.00 0.00 H new ATOM 0 HB2 PHE A 106 15.010 -5.856 -13.636 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.786 -5.284 -14.751 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.975 -3.623 -13.572 1.00 0.00 H new ATOM 0 HD2 PHE A 106 16.043 -4.213 -12.274 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.930 -1.429 -12.417 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.997 -1.998 -11.141 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.943 -0.602 -11.229 1.00 0.00 H new ATOM 1784 N GLN A 107 13.490 -8.663 -13.993 1.00 0.00 N ATOM 1785 CA GLN A 107 13.270 -9.868 -14.783 1.00 0.00 C ATOM 1786 C GLN A 107 11.968 -10.583 -14.378 1.00 0.00 C ATOM 1787 O GLN A 107 11.351 -11.234 -15.218 1.00 0.00 O ATOM 1788 CB GLN A 107 14.508 -10.772 -14.674 1.00 0.00 C ATOM 1789 CG GLN A 107 14.579 -11.823 -15.792 1.00 0.00 C ATOM 1790 CD GLN A 107 15.876 -12.640 -15.767 1.00 0.00 C ATOM 1791 OE1 GLN A 107 16.919 -12.203 -15.287 1.00 0.00 O ATOM 1792 NE2 GLN A 107 15.846 -13.854 -16.293 1.00 0.00 N ATOM 0 H GLN A 107 14.313 -8.717 -13.392 1.00 0.00 H new ATOM 0 HA GLN A 107 13.137 -9.598 -15.831 1.00 0.00 H new ATOM 0 HB2 GLN A 107 15.406 -10.155 -14.704 1.00 0.00 H new ATOM 0 HB3 GLN A 107 14.500 -11.276 -13.708 1.00 0.00 H new ATOM 0 HG2 GLN A 107 13.729 -12.499 -15.702 1.00 0.00 H new ATOM 0 HG3 GLN A 107 14.489 -11.325 -16.757 1.00 0.00 H new ATOM 0 HE21 GLN A 107 14.980 -14.216 -16.691 1.00 0.00 H new ATOM 0 HE22 GLN A 107 16.689 -14.428 -16.300 1.00 0.00 H new ATOM 1801 N GLU A 108 11.509 -10.447 -13.130 1.00 0.00 N ATOM 1802 CA GLU A 108 10.201 -10.946 -12.711 1.00 0.00 C ATOM 1803 C GLU A 108 9.100 -10.025 -13.247 1.00 0.00 C ATOM 1804 O GLU A 108 8.099 -10.513 -13.774 1.00 0.00 O ATOM 1805 CB GLU A 108 10.121 -11.044 -11.177 1.00 0.00 C ATOM 1806 CG GLU A 108 10.968 -12.183 -10.589 1.00 0.00 C ATOM 1807 CD GLU A 108 10.392 -13.574 -10.915 1.00 0.00 C ATOM 1808 OE1 GLU A 108 9.448 -14.024 -10.224 1.00 0.00 O ATOM 1809 OE2 GLU A 108 10.887 -14.244 -11.848 1.00 0.00 O ATOM 0 H GLU A 108 12.034 -9.989 -12.385 1.00 0.00 H new ATOM 0 HA GLU A 108 10.059 -11.946 -13.121 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.447 -10.099 -10.743 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.081 -11.187 -10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.984 -12.114 -10.977 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.031 -12.064 -9.507 1.00 0.00 H new ATOM 1816 N LEU A 109 9.291 -8.700 -13.169 1.00 0.00 N ATOM 1817 CA LEU A 109 8.352 -7.736 -13.751 1.00 0.00 C ATOM 1818 C LEU A 109 8.269 -7.887 -15.270 1.00 0.00 C ATOM 1819 O LEU A 109 7.237 -7.555 -15.850 1.00 0.00 O ATOM 1820 CB LEU A 109 8.730 -6.284 -13.401 1.00 0.00 C ATOM 1821 CG LEU A 109 8.582 -5.889 -11.919 1.00 0.00 C ATOM 1822 CD1 LEU A 109 8.977 -4.417 -11.753 1.00 0.00 C ATOM 1823 CD2 LEU A 109 7.153 -6.085 -11.393 1.00 0.00 C ATOM 0 H LEU A 109 10.092 -8.272 -12.705 1.00 0.00 H new ATOM 0 HA LEU A 109 7.376 -7.955 -13.317 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.765 -6.116 -13.700 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.112 -5.614 -13.999 1.00 0.00 H new ATOM 0 HG LEU A 109 9.236 -6.542 -11.340 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.875 -4.129 -10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.011 -4.280 -12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.326 -3.794 -12.366 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.108 -5.791 -10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.464 -5.470 -11.972 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.871 -7.134 -11.488 1.00 0.00 H new ATOM 1835 N ASP A 110 9.312 -8.402 -15.927 1.00 0.00 N ATOM 1836 CA ASP A 110 9.336 -8.613 -17.372 1.00 0.00 C ATOM 1837 C ASP A 110 8.171 -9.491 -17.829 1.00 0.00 C ATOM 1838 O ASP A 110 7.564 -9.218 -18.861 1.00 0.00 O ATOM 1839 CB ASP A 110 10.663 -9.213 -17.835 1.00 0.00 C ATOM 1840 CG ASP A 110 10.715 -9.265 -19.368 1.00 0.00 C ATOM 1841 OD1 ASP A 110 10.777 -8.186 -19.998 1.00 0.00 O ATOM 1842 OD2 ASP A 110 10.731 -10.379 -19.938 1.00 0.00 O ATOM 0 H ASP A 110 10.174 -8.687 -15.461 1.00 0.00 H new ATOM 0 HA ASP A 110 9.229 -7.632 -17.834 1.00 0.00 H new ATOM 0 HB2 ASP A 110 11.492 -8.616 -17.456 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.779 -10.217 -17.426 1.00 0.00 H new ATOM 2059 N GLY A 125 16.388 -2.520 -20.286 1.00 0.00 N ATOM 2060 CA GLY A 125 17.180 -2.035 -19.163 1.00 0.00 C ATOM 2061 C GLY A 125 18.000 -3.163 -18.552 1.00 0.00 C ATOM 2062 O GLY A 125 19.210 -3.013 -18.384 1.00 0.00 O ATOM 0 HA2 GLY A 125 17.843 -1.237 -19.498 1.00 0.00 H new ATOM 0 HA3 GLY A 125 16.522 -1.607 -18.407 1.00 0.00 H new ATOM 2066 N ILE A 126 17.393 -4.328 -18.303 1.00 0.00 N ATOM 2067 CA ILE A 126 18.126 -5.470 -17.750 1.00 0.00 C ATOM 2068 C ILE A 126 19.221 -5.994 -18.681 1.00 0.00 C ATOM 2069 O ILE A 126 20.181 -6.565 -18.176 1.00 0.00 O ATOM 2070 CB ILE A 126 17.200 -6.581 -17.201 1.00 0.00 C ATOM 2071 CG1 ILE A 126 15.994 -6.924 -18.106 1.00 0.00 C ATOM 2072 CG2 ILE A 126 16.767 -6.173 -15.784 1.00 0.00 C ATOM 2073 CD1 ILE A 126 15.090 -8.021 -17.522 1.00 0.00 C ATOM 0 H ILE A 126 16.403 -4.504 -18.474 1.00 0.00 H new ATOM 0 HA ILE A 126 18.654 -5.082 -16.879 1.00 0.00 H new ATOM 0 HB ILE A 126 17.766 -7.512 -17.179 1.00 0.00 H new ATOM 0 HG12 ILE A 126 15.402 -6.023 -18.268 1.00 0.00 H new ATOM 0 HG13 ILE A 126 16.360 -7.245 -19.081 1.00 0.00 H new ATOM 0 HG21 ILE A 126 16.111 -6.939 -15.369 1.00 0.00 H new ATOM 0 HG22 ILE A 126 17.648 -6.067 -15.151 1.00 0.00 H new ATOM 0 HG23 ILE A 126 16.234 -5.223 -15.826 1.00 0.00 H new ATOM 0 HD11 ILE A 126 14.263 -8.214 -18.206 1.00 0.00 H new ATOM 0 HD12 ILE A 126 15.668 -8.935 -17.385 1.00 0.00 H new ATOM 0 HD13 ILE A 126 14.696 -7.694 -16.560 1.00 0.00 H new ATOM 2085 N LEU A 127 19.167 -5.743 -19.994 1.00 0.00 N ATOM 2086 CA LEU A 127 20.287 -6.043 -20.893 1.00 0.00 C ATOM 2087 C LEU A 127 21.530 -5.225 -20.511 1.00 0.00 C ATOM 2088 O LEU A 127 22.650 -5.740 -20.548 1.00 0.00 O ATOM 2089 CB LEU A 127 19.911 -5.745 -22.360 1.00 0.00 C ATOM 2090 CG LEU A 127 18.944 -6.718 -23.070 1.00 0.00 C ATOM 2091 CD1 LEU A 127 19.477 -8.155 -23.088 1.00 0.00 C ATOM 2092 CD2 LEU A 127 17.521 -6.709 -22.493 1.00 0.00 C ATOM 0 H LEU A 127 18.357 -5.332 -20.458 1.00 0.00 H new ATOM 0 HA LEU A 127 20.513 -7.104 -20.791 1.00 0.00 H new ATOM 0 HB2 LEU A 127 19.470 -4.749 -22.396 1.00 0.00 H new ATOM 0 HB3 LEU A 127 20.833 -5.707 -22.940 1.00 0.00 H new ATOM 0 HG LEU A 127 18.886 -6.344 -24.092 1.00 0.00 H new ATOM 0 HD11 LEU A 127 18.763 -8.802 -23.598 1.00 0.00 H new ATOM 0 HD12 LEU A 127 20.431 -8.183 -23.614 1.00 0.00 H new ATOM 0 HD13 LEU A 127 19.617 -8.504 -22.065 1.00 0.00 H new ATOM 0 HD21 LEU A 127 16.901 -7.417 -23.043 1.00 0.00 H new ATOM 0 HD22 LEU A 127 17.553 -6.995 -21.442 1.00 0.00 H new ATOM 0 HD23 LEU A 127 17.098 -5.709 -22.584 1.00 0.00 H new ATOM 2104 N LEU A 128 21.344 -3.957 -20.123 1.00 0.00 N ATOM 2105 CA LEU A 128 22.448 -3.111 -19.675 1.00 0.00 C ATOM 2106 C LEU A 128 22.904 -3.594 -18.304 1.00 0.00 C ATOM 2107 O LEU A 128 24.099 -3.777 -18.103 1.00 0.00 O ATOM 2108 CB LEU A 128 22.042 -1.626 -19.648 1.00 0.00 C ATOM 2109 CG LEU A 128 23.232 -0.641 -19.753 1.00 0.00 C ATOM 2110 CD1 LEU A 128 22.687 0.788 -19.861 1.00 0.00 C ATOM 2111 CD2 LEU A 128 24.230 -0.680 -18.584 1.00 0.00 C ATOM 0 H LEU A 128 20.434 -3.497 -20.112 1.00 0.00 H new ATOM 0 HA LEU A 128 23.277 -3.190 -20.378 1.00 0.00 H new ATOM 0 HB2 LEU A 128 21.353 -1.434 -20.470 1.00 0.00 H new ATOM 0 HB3 LEU A 128 21.500 -1.426 -18.724 1.00 0.00 H new ATOM 0 HG LEU A 128 23.786 -0.957 -20.637 1.00 0.00 H new ATOM 0 HD11 LEU A 128 23.518 1.490 -19.935 1.00 0.00 H new ATOM 0 HD12 LEU A 128 22.060 0.872 -20.749 1.00 0.00 H new ATOM 0 HD13 LEU A 128 22.095 1.019 -18.976 1.00 0.00 H new ATOM 0 HD21 LEU A 128 25.023 0.048 -18.758 1.00 0.00 H new ATOM 0 HD22 LEU A 128 23.713 -0.438 -17.656 1.00 0.00 H new ATOM 0 HD23 LEU A 128 24.663 -1.677 -18.509 1.00 0.00 H new ATOM 2123 N ILE A 129 21.979 -3.868 -17.378 1.00 0.00 N ATOM 2124 CA ILE A 129 22.334 -4.317 -16.029 1.00 0.00 C ATOM 2125 C ILE A 129 23.119 -5.637 -16.120 1.00 0.00 C ATOM 2126 O ILE A 129 24.114 -5.807 -15.420 1.00 0.00 O ATOM 2127 CB ILE A 129 21.082 -4.419 -15.120 1.00 0.00 C ATOM 2128 CG1 ILE A 129 20.317 -3.073 -15.056 1.00 0.00 C ATOM 2129 CG2 ILE A 129 21.499 -4.815 -13.687 1.00 0.00 C ATOM 2130 CD1 ILE A 129 18.878 -3.173 -14.527 1.00 0.00 C ATOM 0 H ILE A 129 20.975 -3.786 -17.540 1.00 0.00 H new ATOM 0 HA ILE A 129 22.981 -3.577 -15.557 1.00 0.00 H new ATOM 0 HB ILE A 129 20.428 -5.178 -15.549 1.00 0.00 H new ATOM 0 HG12 ILE A 129 20.875 -2.384 -14.422 1.00 0.00 H new ATOM 0 HG13 ILE A 129 20.292 -2.638 -16.055 1.00 0.00 H new ATOM 0 HG21 ILE A 129 20.613 -4.884 -13.056 1.00 0.00 H new ATOM 0 HG22 ILE A 129 22.005 -5.780 -13.709 1.00 0.00 H new ATOM 0 HG23 ILE A 129 22.174 -4.061 -13.283 1.00 0.00 H new ATOM 0 HD11 ILE A 129 18.424 -2.182 -14.519 1.00 0.00 H new ATOM 0 HD12 ILE A 129 18.298 -3.833 -15.172 1.00 0.00 H new ATOM 0 HD13 ILE A 129 18.890 -3.575 -13.514 1.00 0.00 H new ATOM 2142 N ASP A 130 22.728 -6.546 -17.015 1.00 0.00 N ATOM 2143 CA ASP A 130 23.436 -7.798 -17.257 1.00 0.00 C ATOM 2144 C ASP A 130 24.844 -7.550 -17.798 1.00 0.00 C ATOM 2145 O ASP A 130 25.792 -8.206 -17.370 1.00 0.00 O ATOM 2146 CB ASP A 130 22.653 -8.663 -18.246 1.00 0.00 C ATOM 2147 CG ASP A 130 23.342 -10.019 -18.425 1.00 0.00 C ATOM 2148 OD1 ASP A 130 23.184 -10.869 -17.520 1.00 0.00 O ATOM 2149 OD2 ASP A 130 23.985 -10.257 -19.471 1.00 0.00 O ATOM 0 H ASP A 130 21.899 -6.429 -17.598 1.00 0.00 H new ATOM 0 HA ASP A 130 23.523 -8.318 -16.303 1.00 0.00 H new ATOM 0 HB2 ASP A 130 21.635 -8.809 -17.885 1.00 0.00 H new ATOM 0 HB3 ASP A 130 22.581 -8.154 -19.207 1.00 0.00 H new ATOM 2154 N SER A 131 25.001 -6.580 -18.700 1.00 0.00 N ATOM 2155 CA SER A 131 26.306 -6.198 -19.228 1.00 0.00 C ATOM 2156 C SER A 131 27.179 -5.566 -18.130 1.00 0.00 C ATOM 2157 O SER A 131 28.376 -5.848 -18.049 1.00 0.00 O ATOM 2158 CB SER A 131 26.118 -5.238 -20.411 1.00 0.00 C ATOM 2159 OG SER A 131 25.273 -5.798 -21.407 1.00 0.00 O ATOM 0 H SER A 131 24.226 -6.039 -19.083 1.00 0.00 H new ATOM 0 HA SER A 131 26.824 -7.090 -19.579 1.00 0.00 H new ATOM 0 HB2 SER A 131 25.691 -4.300 -20.056 1.00 0.00 H new ATOM 0 HB3 SER A 131 27.089 -5.002 -20.847 1.00 0.00 H new ATOM 0 HG SER A 131 24.362 -5.880 -21.055 1.00 0.00 H new ATOM 2165 N GLU A 132 26.585 -4.741 -17.263 1.00 0.00 N ATOM 2166 CA GLU A 132 27.273 -4.061 -16.177 1.00 0.00 C ATOM 2167 C GLU A 132 27.777 -5.090 -15.160 1.00 0.00 C ATOM 2168 O GLU A 132 28.953 -5.069 -14.782 1.00 0.00 O ATOM 2169 CB GLU A 132 26.313 -3.037 -15.543 1.00 0.00 C ATOM 2170 CG GLU A 132 26.921 -2.229 -14.386 1.00 0.00 C ATOM 2171 CD GLU A 132 28.185 -1.438 -14.768 1.00 0.00 C ATOM 2172 OE1 GLU A 132 28.190 -0.736 -15.806 1.00 0.00 O ATOM 2173 OE2 GLU A 132 29.173 -1.488 -14.004 1.00 0.00 O ATOM 0 H GLU A 132 25.589 -4.527 -17.303 1.00 0.00 H new ATOM 0 HA GLU A 132 28.144 -3.523 -16.550 1.00 0.00 H new ATOM 0 HB2 GLU A 132 25.977 -2.346 -16.316 1.00 0.00 H new ATOM 0 HB3 GLU A 132 25.430 -3.562 -15.179 1.00 0.00 H new ATOM 0 HG2 GLU A 132 26.171 -1.534 -14.009 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.164 -2.910 -13.570 1.00 0.00 H new ATOM 2180 N ILE A 133 26.917 -6.022 -14.732 1.00 0.00 N ATOM 2181 CA ILE A 133 27.333 -7.046 -13.784 1.00 0.00 C ATOM 2182 C ILE A 133 28.288 -8.052 -14.434 1.00 0.00 C ATOM 2183 O ILE A 133 29.197 -8.514 -13.750 1.00 0.00 O ATOM 2184 CB ILE A 133 26.163 -7.703 -13.024 1.00 0.00 C ATOM 2185 CG1 ILE A 133 25.215 -8.584 -13.865 1.00 0.00 C ATOM 2186 CG2 ILE A 133 25.369 -6.644 -12.249 1.00 0.00 C ATOM 2187 CD1 ILE A 133 25.219 -10.041 -13.399 1.00 0.00 C ATOM 0 H ILE A 133 25.942 -6.083 -15.026 1.00 0.00 H new ATOM 0 HA ILE A 133 27.898 -6.537 -13.003 1.00 0.00 H new ATOM 0 HB ILE A 133 26.642 -8.404 -12.340 1.00 0.00 H new ATOM 0 HG12 ILE A 133 24.202 -8.187 -13.803 1.00 0.00 H new ATOM 0 HG13 ILE A 133 25.512 -8.538 -14.913 1.00 0.00 H new ATOM 0 HG21 ILE A 133 24.546 -7.123 -11.718 1.00 0.00 H new ATOM 0 HG22 ILE A 133 26.025 -6.150 -11.533 1.00 0.00 H new ATOM 0 HG23 ILE A 133 24.971 -5.906 -12.945 1.00 0.00 H new ATOM 0 HD11 ILE A 133 24.538 -10.623 -14.019 1.00 0.00 H new ATOM 0 HD12 ILE A 133 26.226 -10.448 -13.486 1.00 0.00 H new ATOM 0 HD13 ILE A 133 24.896 -10.091 -12.359 1.00 0.00 H new ATOM 2199 N ALA A 134 28.180 -8.341 -15.739 1.00 0.00 N ATOM 2200 CA ALA A 134 29.172 -9.157 -16.434 1.00 0.00 C ATOM 2201 C ALA A 134 30.545 -8.478 -16.408 1.00 0.00 C ATOM 2202 O ALA A 134 31.532 -9.129 -16.077 1.00 0.00 O ATOM 2203 CB ALA A 134 28.730 -9.443 -17.873 1.00 0.00 C ATOM 0 H ALA A 134 27.413 -8.019 -16.330 1.00 0.00 H new ATOM 0 HA ALA A 134 29.256 -10.110 -15.912 1.00 0.00 H new ATOM 0 HB1 ALA A 134 29.484 -10.052 -18.371 1.00 0.00 H new ATOM 0 HB2 ALA A 134 27.780 -9.978 -17.862 1.00 0.00 H new ATOM 0 HB3 ALA A 134 28.610 -8.502 -18.411 1.00 0.00 H new ATOM 2209 N ARG A 135 30.626 -7.172 -16.695 1.00 0.00 N ATOM 2210 CA ARG A 135 31.884 -6.427 -16.581 1.00 0.00 C ATOM 2211 C ARG A 135 32.401 -6.476 -15.144 1.00 0.00 C ATOM 2212 O ARG A 135 33.589 -6.709 -14.932 1.00 0.00 O ATOM 2213 CB ARG A 135 31.679 -4.983 -17.082 1.00 0.00 C ATOM 2214 CG ARG A 135 32.919 -4.074 -16.968 1.00 0.00 C ATOM 2215 CD ARG A 135 34.196 -4.612 -17.632 1.00 0.00 C ATOM 2216 NE ARG A 135 34.027 -4.851 -19.077 1.00 0.00 N ATOM 2217 CZ ARG A 135 35.013 -5.122 -19.944 1.00 0.00 C ATOM 2218 NH1 ARG A 135 36.279 -5.187 -19.533 1.00 0.00 N ATOM 2219 NH2 ARG A 135 34.727 -5.331 -21.224 1.00 0.00 N ATOM 0 H ARG A 135 29.834 -6.610 -17.008 1.00 0.00 H new ATOM 0 HA ARG A 135 32.646 -6.890 -17.209 1.00 0.00 H new ATOM 0 HB2 ARG A 135 31.366 -5.017 -18.126 1.00 0.00 H new ATOM 0 HB3 ARG A 135 30.862 -4.531 -16.519 1.00 0.00 H new ATOM 0 HG2 ARG A 135 32.681 -3.106 -17.410 1.00 0.00 H new ATOM 0 HG3 ARG A 135 33.125 -3.900 -15.912 1.00 0.00 H new ATOM 0 HD2 ARG A 135 35.008 -3.902 -17.478 1.00 0.00 H new ATOM 0 HD3 ARG A 135 34.490 -5.542 -17.146 1.00 0.00 H new ATOM 0 HE ARG A 135 33.078 -4.806 -19.449 1.00 0.00 H new ATOM 0 HH11 ARG A 135 36.505 -5.030 -18.551 1.00 0.00 H new ATOM 0 HH12 ARG A 135 37.022 -5.394 -20.201 1.00 0.00 H new ATOM 0 HH21 ARG A 135 33.760 -5.285 -21.545 1.00 0.00 H new ATOM 0 HH22 ARG A 135 35.475 -5.537 -21.886 1.00 0.00 H new ATOM 2233 N THR A 136 31.523 -6.307 -14.159 1.00 0.00 N ATOM 2234 CA THR A 136 31.889 -6.367 -12.748 1.00 0.00 C ATOM 2235 C THR A 136 32.438 -7.759 -12.384 1.00 0.00 C ATOM 2236 O THR A 136 33.443 -7.856 -11.681 1.00 0.00 O ATOM 2237 CB THR A 136 30.666 -5.948 -11.918 1.00 0.00 C ATOM 2238 OG1 THR A 136 30.250 -4.650 -12.314 1.00 0.00 O ATOM 2239 CG2 THR A 136 30.943 -5.888 -10.419 1.00 0.00 C ATOM 0 H THR A 136 30.532 -6.124 -14.319 1.00 0.00 H new ATOM 0 HA THR A 136 32.700 -5.674 -12.524 1.00 0.00 H new ATOM 0 HB THR A 136 29.904 -6.706 -12.100 1.00 0.00 H new ATOM 0 HG1 THR A 136 29.758 -4.708 -13.159 1.00 0.00 H new ATOM 0 HG21 THR A 136 30.037 -5.586 -9.893 1.00 0.00 H new ATOM 0 HG22 THR A 136 31.256 -6.871 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 136 31.734 -5.164 -10.224 1.00 0.00 H new ATOM 2247 N TYR A 137 31.839 -8.838 -12.896 1.00 0.00 N ATOM 2248 CA TYR A 137 32.319 -10.200 -12.690 1.00 0.00 C ATOM 2249 C TYR A 137 33.676 -10.400 -13.374 1.00 0.00 C ATOM 2250 O TYR A 137 34.594 -10.965 -12.780 1.00 0.00 O ATOM 2251 CB TYR A 137 31.270 -11.181 -13.239 1.00 0.00 C ATOM 2252 CG TYR A 137 31.570 -12.644 -12.973 1.00 0.00 C ATOM 2253 CD1 TYR A 137 32.347 -13.390 -13.880 1.00 0.00 C ATOM 2254 CD2 TYR A 137 31.051 -13.266 -11.822 1.00 0.00 C ATOM 2255 CE1 TYR A 137 32.612 -14.749 -13.634 1.00 0.00 C ATOM 2256 CE2 TYR A 137 31.303 -14.625 -11.573 1.00 0.00 C ATOM 2257 CZ TYR A 137 32.091 -15.375 -12.478 1.00 0.00 C ATOM 2258 OH TYR A 137 32.349 -16.695 -12.253 1.00 0.00 O ATOM 0 H TYR A 137 30.998 -8.786 -13.471 1.00 0.00 H new ATOM 0 HA TYR A 137 32.461 -10.386 -11.625 1.00 0.00 H new ATOM 0 HB2 TYR A 137 30.301 -10.938 -12.803 1.00 0.00 H new ATOM 0 HB3 TYR A 137 31.181 -11.032 -14.315 1.00 0.00 H new ATOM 0 HD1 TYR A 137 32.741 -12.917 -14.767 1.00 0.00 H new ATOM 0 HD2 TYR A 137 30.455 -12.694 -11.126 1.00 0.00 H new ATOM 0 HE1 TYR A 137 33.214 -15.315 -14.329 1.00 0.00 H new ATOM 0 HE2 TYR A 137 30.896 -15.097 -10.691 1.00 0.00 H new ATOM 0 HH TYR A 137 31.921 -16.974 -11.417 1.00 0.00 H new ATOM 2268 N LEU A 138 33.829 -9.896 -14.603 1.00 0.00 N ATOM 2269 CA LEU A 138 35.071 -9.993 -15.367 1.00 0.00 C ATOM 2270 C LEU A 138 36.211 -9.270 -14.646 1.00 0.00 C ATOM 2271 O LEU A 138 37.351 -9.722 -14.713 1.00 0.00 O ATOM 2272 CB LEU A 138 34.849 -9.433 -16.783 1.00 0.00 C ATOM 2273 CG LEU A 138 36.091 -9.481 -17.699 1.00 0.00 C ATOM 2274 CD1 LEU A 138 36.633 -10.902 -17.895 1.00 0.00 C ATOM 2275 CD2 LEU A 138 35.723 -8.893 -19.065 1.00 0.00 C ATOM 0 H LEU A 138 33.085 -9.405 -15.098 1.00 0.00 H new ATOM 0 HA LEU A 138 35.360 -11.040 -15.453 1.00 0.00 H new ATOM 0 HB2 LEU A 138 34.043 -9.992 -17.258 1.00 0.00 H new ATOM 0 HB3 LEU A 138 34.515 -8.399 -16.701 1.00 0.00 H new ATOM 0 HG LEU A 138 36.876 -8.900 -17.215 1.00 0.00 H new ATOM 0 HD11 LEU A 138 37.505 -10.872 -18.548 1.00 0.00 H new ATOM 0 HD12 LEU A 138 36.917 -11.320 -16.929 1.00 0.00 H new ATOM 0 HD13 LEU A 138 35.863 -11.526 -18.348 1.00 0.00 H new ATOM 0 HD21 LEU A 138 36.594 -8.922 -19.720 1.00 0.00 H new ATOM 0 HD22 LEU A 138 34.916 -9.478 -19.507 1.00 0.00 H new ATOM 0 HD23 LEU A 138 35.397 -7.860 -18.941 1.00 0.00 H new