USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 923 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 13 HIS :FLIP no HE2:sc= -1.3 F(o=-2.7,f=-0.96) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 177:sc= 0.152 (180deg=0.106) USER MOD Set 1.3: A 43 ASN :FLIP amide:sc= 0.0189 F(o=-1.7,f=-0.96) USER MOD Set 1.4: A 117 GLN :FLIP amide:sc= 0.167 F(o=-1.9,f=-0.96) USER MOD Set 2.1: A 25 TYR OH : rot 13:sc= 0.302 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.59! C(o=-1.4!,f=-8.9!) USER MOD Set 2.3: A 79 THR OG1 : rot 82:sc= 0.914 USER MOD Set 3.1: A 61 ASN : amide:sc= -0.78 X(o=-0.14,f=0.26) USER MOD Set 3.2: A 74 SER OG : rot 88:sc= 0.643 USER MOD Set 4.1: A 44 THR OG1 : rot 178:sc= 1.71 USER MOD Set 4.2: A 80 THR OG1 : rot -69:sc= 0.143 USER MOD Set 5.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 8 HIS :FLIP no HD1:sc= -0.337 F(o=-1.1,f=-0.34) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -130:sc= 0 USER MOD Single : A 11 THR OG1 : rot 66:sc= 0.929 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot -12:sc= 0.501 USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= -0.0283 (180deg=-0.234) USER MOD Single : A 19 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.074) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 160:sc= -0.374 (180deg=-0.999) USER MOD Single : A 36 THR OG1 : rot -13:sc= 0.307 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc=-0.00528 (180deg=-0.111) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0286 F(o=-1.8!,f=-0.029) USER MOD Single : A 60 LYS NZ :NH3+ -109:sc= -0.0134 (180deg=-0.423) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HE2:sc=-0.000825 X(o=-0.00083,f=-0.25) USER MOD Single : A 68 ASN : amide:sc= 0.0076 X(o=0.0076,f=-0.067) USER MOD Single : A 72 SER OG : rot 170:sc= 0.14 USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= 0.0722 (180deg=0.00605) USER MOD Single : A 75 SER OG : rot 108:sc= 0.847 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -164:sc= -0.042 (180deg=-0.309) USER MOD Single : A 84 HIS : no HD1:sc= -0.0752 X(o=-0.075,f=-0.062) USER MOD Single : A 87 SER OG : rot -103:sc= 0.366 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 9:sc= 0.116 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.491 K(o=-0.49,f=-2.6!) USER MOD Single : A 109 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.47) USER MOD Single : A 114 HIS :FLIP no HE2:sc= -1.56 F(o=-4.2!,f=-1.6) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 3.936 -4.826 2.478 1.00 0.00 N ATOM 33 CA ASN A 3 4.708 -4.732 3.677 1.00 0.00 C ATOM 34 C ASN A 3 4.969 -3.275 3.834 1.00 0.00 C ATOM 35 O ASN A 3 5.648 -2.853 4.765 1.00 0.00 O ATOM 36 CB ASN A 3 6.053 -5.476 3.625 1.00 0.00 C ATOM 37 CG ASN A 3 5.796 -6.977 3.547 1.00 0.00 C ATOM 38 OD1 ASN A 3 5.419 -7.524 2.505 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.040 -7.656 4.704 1.00 0.00 N ATOM 0 HA ASN A 3 4.161 -5.192 4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.629 -5.149 2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.645 -5.242 4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.913 -8.667 4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.350 -7.152 5.535 1.00 0.00 H new ATOM 46 N SER A 4 4.417 -2.476 2.899 1.00 0.00 N ATOM 47 CA SER A 4 4.378 -1.048 3.030 1.00 0.00 C ATOM 48 C SER A 4 3.082 -0.713 3.678 1.00 0.00 C ATOM 49 O SER A 4 2.987 0.287 4.383 1.00 0.00 O ATOM 50 CB SER A 4 4.430 -0.310 1.684 1.00 0.00 C ATOM 51 OG SER A 4 5.646 -0.609 1.013 1.00 0.00 O ATOM 0 H SER A 4 3.992 -2.825 2.040 1.00 0.00 H new ATOM 0 HA SER A 4 5.251 -0.736 3.603 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.582 -0.604 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.349 0.765 1.846 1.00 0.00 H new ATOM 0 HG SER A 4 5.671 -0.136 0.155 1.00 0.00 H new ATOM 57 N ARG A 5 2.047 -1.551 3.438 1.00 0.00 N ATOM 58 CA ARG A 5 0.740 -1.360 3.983 1.00 0.00 C ATOM 59 C ARG A 5 0.771 -1.624 5.450 1.00 0.00 C ATOM 60 O ARG A 5 0.151 -0.870 6.203 1.00 0.00 O ATOM 61 CB ARG A 5 -0.298 -2.307 3.360 1.00 0.00 C ATOM 62 CG ARG A 5 -0.577 -2.056 1.868 1.00 0.00 C ATOM 63 CD ARG A 5 -1.064 -0.639 1.536 1.00 0.00 C ATOM 64 NE ARG A 5 -2.272 -0.350 2.363 1.00 0.00 N ATOM 65 CZ ARG A 5 -2.768 0.918 2.463 1.00 0.00 C ATOM 66 NH1 ARG A 5 -2.193 1.945 1.772 1.00 0.00 N ATOM 67 NH2 ARG A 5 -3.851 1.159 3.260 1.00 0.00 N ATOM 0 H ARG A 5 2.127 -2.380 2.850 1.00 0.00 H new ATOM 0 HA ARG A 5 0.451 -0.332 3.764 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.045 -3.334 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.233 -2.214 3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.334 -2.254 1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.325 -2.772 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.280 0.090 1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.302 -0.559 0.475 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.734 -1.111 2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.385 1.769 1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.571 2.889 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.285 0.394 3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.226 2.104 3.339 1.00 0.00 H new ATOM 81 N TYR A 6 1.518 -2.686 5.856 1.00 0.00 N ATOM 82 CA TYR A 6 1.918 -2.979 7.182 1.00 0.00 C ATOM 83 C TYR A 6 2.451 -1.784 7.852 1.00 0.00 C ATOM 84 O TYR A 6 1.865 -1.333 8.826 1.00 0.00 O ATOM 85 CB TYR A 6 3.073 -3.981 7.181 1.00 0.00 C ATOM 86 CG TYR A 6 3.293 -4.393 8.578 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.323 -5.211 9.079 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.330 -3.987 9.392 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.382 -5.682 10.369 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.410 -4.469 10.669 1.00 0.00 C ATOM 91 CZ TYR A 6 3.437 -5.305 11.176 1.00 0.00 C ATOM 92 OH TYR A 6 3.483 -5.714 12.524 1.00 0.00 O ATOM 0 H TYR A 6 1.858 -3.381 5.191 1.00 0.00 H new ATOM 0 HA TYR A 6 1.035 -3.364 7.691 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.834 -4.843 6.559 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.974 -3.529 6.767 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.492 -5.494 8.450 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.072 -3.294 9.024 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.613 -6.339 10.747 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.248 -4.191 11.291 1.00 0.00 H new ATOM 0 HH TYR A 6 3.656 -4.937 13.096 1.00 0.00 H new ATOM 102 N THR A 7 3.596 -1.280 7.353 1.00 0.00 N ATOM 103 CA THR A 7 4.317 -0.228 7.972 1.00 0.00 C ATOM 104 C THR A 7 3.691 1.142 7.930 1.00 0.00 C ATOM 105 O THR A 7 4.144 2.032 8.643 1.00 0.00 O ATOM 106 CB THR A 7 5.760 -0.103 7.644 1.00 0.00 C ATOM 107 OG1 THR A 7 5.950 0.553 6.399 1.00 0.00 O ATOM 108 CG2 THR A 7 6.488 -1.451 7.680 1.00 0.00 C ATOM 0 H THR A 7 4.026 -1.620 6.493 1.00 0.00 H new ATOM 0 HA THR A 7 4.246 -0.602 8.993 1.00 0.00 H new ATOM 0 HB THR A 7 6.207 0.515 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.909 0.623 6.209 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.539 -1.303 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.407 -1.882 8.678 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.036 -2.128 6.955 1.00 0.00 H new ATOM 116 N HIS A 8 2.634 1.355 7.124 1.00 0.00 N ATOM 117 CA HIS A 8 1.919 2.607 7.154 1.00 0.00 C ATOM 118 C HIS A 8 0.908 2.581 8.264 1.00 0.00 C ATOM 119 O HIS A 8 0.693 3.584 8.950 1.00 0.00 O ATOM 120 CB HIS A 8 1.239 2.946 5.822 1.00 0.00 C ATOM 121 CG HIS A 8 2.254 3.168 4.735 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.601 3.007 4.734 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 1.898 3.586 3.482 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 4.045 3.331 3.481 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 2.997 3.678 2.745 1.00 0.00 N flip ATOM 0 H HIS A 8 2.273 0.673 6.457 1.00 0.00 H new ATOM 0 HA HIS A 8 2.653 3.393 7.332 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.568 2.136 5.537 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.627 3.840 5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.894 3.804 3.150 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.072 3.308 3.148 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.031 3.969 1.768 1.00 0.00 H new ATOM 134 N PHE A 9 0.301 1.390 8.472 1.00 0.00 N ATOM 135 CA PHE A 9 -0.558 1.065 9.587 1.00 0.00 C ATOM 136 C PHE A 9 0.216 1.113 10.883 1.00 0.00 C ATOM 137 O PHE A 9 -0.317 1.528 11.905 1.00 0.00 O ATOM 138 CB PHE A 9 -1.215 -0.318 9.329 1.00 0.00 C ATOM 139 CG PHE A 9 -1.521 -1.174 10.518 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.498 -0.833 11.437 1.00 0.00 C ATOM 141 CD2 PHE A 9 -0.926 -2.424 10.603 1.00 0.00 C ATOM 142 CE1 PHE A 9 -2.839 -1.705 12.453 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.296 -3.319 11.585 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.241 -2.951 12.523 1.00 0.00 C ATOM 0 H PHE A 9 0.415 0.608 7.827 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.355 1.803 9.680 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.146 -0.151 8.787 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.558 -0.884 8.668 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.997 0.121 11.359 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.163 -2.700 9.891 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.571 -1.415 13.192 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.850 -4.302 11.620 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.513 -3.636 13.312 1.00 0.00 H new ATOM 154 N LEU A 10 1.498 0.705 10.847 1.00 0.00 N ATOM 155 CA LEU A 10 2.484 0.743 11.894 1.00 0.00 C ATOM 156 C LEU A 10 2.872 2.138 12.262 1.00 0.00 C ATOM 157 O LEU A 10 3.121 2.402 13.433 1.00 0.00 O ATOM 158 CB LEU A 10 3.737 0.135 11.276 1.00 0.00 C ATOM 159 CG LEU A 10 4.648 -0.880 11.960 1.00 0.00 C ATOM 160 CD1 LEU A 10 5.735 -0.282 12.833 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.865 -1.987 12.638 1.00 0.00 C ATOM 0 H LEU A 10 1.887 0.305 9.993 1.00 0.00 H new ATOM 0 HA LEU A 10 2.090 0.238 12.776 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.415 -0.332 10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.376 0.976 11.006 1.00 0.00 H new ATOM 0 HG LEU A 10 5.209 -1.345 11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.329 -1.083 13.274 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.379 0.355 12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.280 0.311 13.626 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.556 -2.685 13.111 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.209 -1.557 13.395 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.266 -2.516 11.897 1.00 0.00 H new ATOM 173 N THR A 11 2.976 3.051 11.267 1.00 0.00 N ATOM 174 CA THR A 11 3.358 4.414 11.520 1.00 0.00 C ATOM 175 C THR A 11 2.296 5.089 12.311 1.00 0.00 C ATOM 176 O THR A 11 2.573 5.680 13.352 1.00 0.00 O ATOM 177 CB THR A 11 3.683 5.206 10.271 1.00 0.00 C ATOM 178 OG1 THR A 11 4.807 4.619 9.634 1.00 0.00 O ATOM 179 CG2 THR A 11 4.036 6.671 10.590 1.00 0.00 C ATOM 0 H THR A 11 2.795 2.842 10.285 1.00 0.00 H new ATOM 0 HA THR A 11 4.287 4.378 12.089 1.00 0.00 H new ATOM 0 HB THR A 11 2.800 5.190 9.633 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.571 3.723 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.262 7.201 9.665 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.191 7.149 11.085 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.905 6.701 11.247 1.00 0.00 H new ATOM 187 N GLN A 12 1.054 4.997 11.825 1.00 0.00 N ATOM 188 CA GLN A 12 -0.047 5.717 12.329 1.00 0.00 C ATOM 189 C GLN A 12 -0.586 5.125 13.599 1.00 0.00 C ATOM 190 O GLN A 12 -1.125 5.862 14.424 1.00 0.00 O ATOM 191 CB GLN A 12 -1.024 5.732 11.147 1.00 0.00 C ATOM 192 CG GLN A 12 -2.488 5.855 11.509 1.00 0.00 C ATOM 193 CD GLN A 12 -3.309 6.068 10.242 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.297 5.238 9.325 1.00 0.00 O ATOM 195 NE2 GLN A 12 -4.046 7.220 10.211 1.00 0.00 N ATOM 0 H GLN A 12 0.813 4.389 11.042 1.00 0.00 H new ATOM 0 HA GLN A 12 0.196 6.730 12.649 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.760 6.561 10.491 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.886 4.816 10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.823 4.955 12.025 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.635 6.689 12.195 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.015 7.867 10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.627 7.432 9.400 1.00 0.00 H new ATOM 204 N HIS A 13 -0.449 3.796 13.792 1.00 0.00 N ATOM 205 CA HIS A 13 -0.957 3.163 14.973 1.00 0.00 C ATOM 206 C HIS A 13 0.146 2.804 15.901 1.00 0.00 C ATOM 207 O HIS A 13 0.114 3.227 17.050 1.00 0.00 O ATOM 208 CB HIS A 13 -1.783 1.899 14.711 1.00 0.00 C ATOM 209 CG HIS A 13 -3.038 2.240 13.976 1.00 0.00 C ATOM 210 ND1 HIS A 13 -3.242 2.542 12.674 1.00 0.00 N flip ATOM 211 CD2 HIS A 13 -4.195 2.519 14.643 1.00 0.00 C flip ATOM 212 CE1 HIS A 13 -4.533 2.983 12.565 1.00 0.00 C flip ATOM 213 NE2 HIS A 13 -5.083 2.968 13.771 1.00 0.00 N flip ATOM 0 H HIS A 13 0.010 3.165 13.135 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.621 3.906 15.414 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.196 1.187 14.131 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.028 1.414 15.656 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.563 2.457 11.917 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.358 2.394 15.703 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.021 3.291 11.652 1.00 0.00 H new ATOM 222 N TYR A 14 1.120 1.986 15.453 1.00 0.00 N ATOM 223 CA TYR A 14 2.003 1.316 16.367 1.00 0.00 C ATOM 224 C TYR A 14 2.975 2.285 16.971 1.00 0.00 C ATOM 225 O TYR A 14 3.850 2.828 16.298 1.00 0.00 O ATOM 226 CB TYR A 14 2.796 0.176 15.701 1.00 0.00 C ATOM 227 CG TYR A 14 3.501 -0.659 16.710 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.871 -1.230 17.804 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.840 -0.899 16.510 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.604 -1.961 18.718 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.566 -1.644 17.400 1.00 0.00 C ATOM 232 CZ TYR A 14 4.959 -2.150 18.525 1.00 0.00 C ATOM 233 OH TYR A 14 5.736 -2.857 19.461 1.00 0.00 O ATOM 0 H TYR A 14 1.296 1.789 14.468 1.00 0.00 H new ATOM 0 HA TYR A 14 1.367 0.884 17.139 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.118 -0.449 15.120 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.521 0.595 15.003 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.807 -1.103 17.942 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.327 -0.493 15.636 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.118 -2.385 19.584 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.614 -1.834 17.219 1.00 0.00 H new ATOM 0 HH TYR A 14 5.217 -2.994 20.281 1.00 0.00 H new ATOM 243 N ASP A 15 2.806 2.513 18.287 1.00 0.00 N ATOM 244 CA ASP A 15 3.668 3.345 19.052 1.00 0.00 C ATOM 245 C ASP A 15 3.830 2.468 20.232 1.00 0.00 C ATOM 246 O ASP A 15 2.942 2.407 21.076 1.00 0.00 O ATOM 247 CB ASP A 15 3.051 4.695 19.471 1.00 0.00 C ATOM 248 CG ASP A 15 4.062 5.423 20.346 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.200 5.666 19.862 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.707 5.757 21.507 1.00 0.00 O ATOM 0 H ASP A 15 2.045 2.104 18.830 1.00 0.00 H new ATOM 0 HA ASP A 15 4.569 3.649 18.519 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.808 5.292 18.592 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.120 4.536 20.016 1.00 0.00 H new ATOM 255 N ALA A 16 4.957 1.729 20.247 1.00 0.00 N ATOM 256 CA ALA A 16 5.241 0.567 21.062 1.00 0.00 C ATOM 257 C ALA A 16 4.915 0.627 22.524 1.00 0.00 C ATOM 258 O ALA A 16 4.539 -0.390 23.105 1.00 0.00 O ATOM 259 CB ALA A 16 6.700 0.112 20.941 1.00 0.00 C ATOM 0 H ALA A 16 5.742 1.960 19.638 1.00 0.00 H new ATOM 0 HA ALA A 16 4.539 -0.145 20.627 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.862 -0.762 21.571 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.917 -0.143 19.904 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.360 0.918 21.262 1.00 0.00 H new ATOM 265 N LYS A 17 5.043 1.807 23.152 1.00 0.00 N ATOM 266 CA LYS A 17 4.515 1.992 24.470 1.00 0.00 C ATOM 267 C LYS A 17 4.069 3.421 24.562 1.00 0.00 C ATOM 268 O LYS A 17 4.619 4.254 23.843 1.00 0.00 O ATOM 269 CB LYS A 17 5.499 1.653 25.626 1.00 0.00 C ATOM 270 CG LYS A 17 6.755 2.535 25.809 1.00 0.00 C ATOM 271 CD LYS A 17 7.827 2.405 24.714 1.00 0.00 C ATOM 272 CE LYS A 17 9.100 3.208 25.008 1.00 0.00 C ATOM 273 NZ LYS A 17 9.777 2.690 26.217 1.00 0.00 N ATOM 0 H LYS A 17 5.506 2.625 22.756 1.00 0.00 H new ATOM 0 HA LYS A 17 3.695 1.287 24.605 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.936 1.680 26.559 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.834 0.625 25.486 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.440 3.577 25.861 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.211 2.291 26.769 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.089 1.354 24.596 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.408 2.738 23.764 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.776 3.153 24.155 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.849 4.259 25.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.741 3.077 26.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.244 2.976 27.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.823 1.652 26.172 1.00 0.00 H new ATOM 287 N PRO A 18 3.110 3.753 25.419 1.00 0.00 N ATOM 288 CA PRO A 18 2.739 5.106 25.710 1.00 0.00 C ATOM 289 C PRO A 18 3.841 5.763 26.473 1.00 0.00 C ATOM 290 O PRO A 18 4.475 5.123 27.313 1.00 0.00 O ATOM 291 CB PRO A 18 1.523 4.972 26.635 1.00 0.00 C ATOM 292 CG PRO A 18 1.533 3.526 27.130 1.00 0.00 C ATOM 293 CD PRO A 18 2.103 2.836 25.911 1.00 0.00 C ATOM 0 HA PRO A 18 2.538 5.689 24.812 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.587 5.671 27.469 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.599 5.196 26.101 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.156 3.392 28.014 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.536 3.166 27.385 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.537 1.869 26.167 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.333 2.651 25.162 1.00 0.00 H new ATOM 301 N GLN A 19 4.030 7.071 26.209 1.00 0.00 N ATOM 302 CA GLN A 19 4.882 7.897 27.011 1.00 0.00 C ATOM 303 C GLN A 19 4.014 8.370 28.126 1.00 0.00 C ATOM 304 O GLN A 19 4.378 8.299 29.299 1.00 0.00 O ATOM 305 CB GLN A 19 5.464 9.106 26.251 1.00 0.00 C ATOM 306 CG GLN A 19 6.132 8.730 24.918 1.00 0.00 C ATOM 307 CD GLN A 19 7.217 7.679 25.158 1.00 0.00 C ATOM 308 OE1 GLN A 19 8.163 7.894 25.924 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.057 6.508 24.466 1.00 0.00 N ATOM 0 H GLN A 19 3.587 7.560 25.431 1.00 0.00 H new ATOM 0 HA GLN A 19 5.750 7.327 27.342 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.665 9.823 26.059 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.195 9.606 26.886 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.386 8.343 24.224 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.568 9.616 24.457 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.255 6.387 23.847 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.739 5.757 24.570 1.00 0.00 H new ATOM 318 N GLY A 20 2.809 8.832 27.748 1.00 0.00 N ATOM 319 CA GLY A 20 1.723 9.018 28.662 1.00 0.00 C ATOM 320 C GLY A 20 0.561 8.468 27.929 1.00 0.00 C ATOM 321 O GLY A 20 0.709 7.958 26.822 1.00 0.00 O ATOM 0 H GLY A 20 2.583 9.082 26.785 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.893 8.490 29.601 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.581 10.070 28.909 1.00 0.00 H new ATOM 325 N ARG A 21 -0.631 8.565 28.539 1.00 0.00 N ATOM 326 CA ARG A 21 -1.846 8.086 27.932 1.00 0.00 C ATOM 327 C ARG A 21 -2.825 9.190 28.144 1.00 0.00 C ATOM 328 O ARG A 21 -4.008 8.953 28.382 1.00 0.00 O ATOM 329 CB ARG A 21 -2.402 6.784 28.560 1.00 0.00 C ATOM 330 CG ARG A 21 -1.440 5.591 28.448 1.00 0.00 C ATOM 331 CD ARG A 21 -1.858 4.346 29.233 1.00 0.00 C ATOM 332 NE ARG A 21 -2.836 3.568 28.426 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.151 2.294 28.798 1.00 0.00 C ATOM 334 NH1 ARG A 21 -2.671 1.778 29.967 1.00 0.00 N ATOM 335 NH2 ARG A 21 -3.950 1.529 28.002 1.00 0.00 N ATOM 0 H ARG A 21 -0.761 8.978 29.462 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.661 7.835 26.888 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.625 6.964 29.612 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.343 6.529 28.074 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.340 5.322 27.396 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.455 5.905 28.792 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.985 3.733 29.459 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.301 4.634 30.186 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.268 3.984 27.601 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.073 2.346 30.568 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.910 0.825 30.240 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.313 1.909 27.128 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.185 0.576 28.281 1.00 0.00 H new ATOM 349 N ASP A 22 -2.308 10.436 28.083 1.00 0.00 N ATOM 350 CA ASP A 22 -3.045 11.613 28.441 1.00 0.00 C ATOM 351 C ASP A 22 -3.087 12.523 27.259 1.00 0.00 C ATOM 352 O ASP A 22 -2.555 12.195 26.199 1.00 0.00 O ATOM 353 CB ASP A 22 -2.444 12.354 29.655 1.00 0.00 C ATOM 354 CG ASP A 22 -1.067 12.943 29.349 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.122 12.170 29.045 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.944 14.194 29.439 1.00 0.00 O ATOM 0 H ASP A 22 -1.354 10.629 27.777 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.049 11.305 28.734 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.119 13.153 29.961 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.364 11.665 30.496 1.00 0.00 H new ATOM 361 N ASP A 23 -3.739 13.693 27.446 1.00 0.00 N ATOM 362 CA ASP A 23 -4.059 14.657 26.423 1.00 0.00 C ATOM 363 C ASP A 23 -2.848 15.225 25.765 1.00 0.00 C ATOM 364 O ASP A 23 -2.870 15.497 24.568 1.00 0.00 O ATOM 365 CB ASP A 23 -4.826 15.879 26.960 1.00 0.00 C ATOM 366 CG ASP A 23 -6.270 15.515 27.288 1.00 0.00 C ATOM 367 OD1 ASP A 23 -6.496 14.597 28.121 1.00 0.00 O ATOM 368 OD2 ASP A 23 -7.173 16.174 26.707 1.00 0.00 O ATOM 0 H ASP A 23 -4.063 13.985 28.368 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.667 14.083 25.723 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.331 16.260 27.853 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.808 16.679 26.220 1.00 0.00 H new ATOM 373 N ARG A 24 -1.768 15.422 26.544 1.00 0.00 N ATOM 374 CA ARG A 24 -0.565 16.046 26.072 1.00 0.00 C ATOM 375 C ARG A 24 0.280 15.047 25.347 1.00 0.00 C ATOM 376 O ARG A 24 1.107 15.439 24.524 1.00 0.00 O ATOM 377 CB ARG A 24 0.314 16.665 27.180 1.00 0.00 C ATOM 378 CG ARG A 24 -0.257 17.939 27.832 1.00 0.00 C ATOM 379 CD ARG A 24 -1.434 17.709 28.786 1.00 0.00 C ATOM 380 NE ARG A 24 -1.818 19.022 29.374 1.00 0.00 N ATOM 381 CZ ARG A 24 -2.953 19.136 30.124 1.00 0.00 C ATOM 382 NH1 ARG A 24 -3.740 18.046 30.356 1.00 0.00 N ATOM 383 NH2 ARG A 24 -3.301 20.350 30.644 1.00 0.00 N ATOM 0 H ARG A 24 -1.728 15.142 27.524 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.906 16.854 25.425 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.472 15.917 27.957 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.292 16.898 26.759 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.543 18.438 28.380 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.576 18.620 27.043 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.277 17.271 28.252 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.155 17.007 29.572 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.230 19.840 29.216 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.482 17.139 29.968 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.587 18.138 30.917 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.714 21.166 30.471 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.148 20.441 31.205 1.00 0.00 H new ATOM 397 N TYR A 25 0.078 13.734 25.625 1.00 0.00 N ATOM 398 CA TYR A 25 0.786 12.696 24.929 1.00 0.00 C ATOM 399 C TYR A 25 0.199 12.613 23.574 1.00 0.00 C ATOM 400 O TYR A 25 0.946 12.467 22.612 1.00 0.00 O ATOM 401 CB TYR A 25 0.702 11.300 25.594 1.00 0.00 C ATOM 402 CG TYR A 25 0.779 10.151 24.616 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.968 9.741 24.024 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.373 9.421 24.354 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.998 8.634 23.200 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.343 8.321 23.523 1.00 0.00 C ATOM 407 CZ TYR A 25 0.845 7.921 22.952 1.00 0.00 C ATOM 408 OH TYR A 25 0.875 6.790 22.113 1.00 0.00 O ATOM 0 H TYR A 25 -0.576 13.396 26.332 1.00 0.00 H new ATOM 0 HA TYR A 25 1.844 12.959 24.931 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.512 11.204 26.317 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.233 11.229 26.150 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.877 10.294 24.211 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.306 9.719 24.808 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.929 8.325 22.748 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.251 7.773 23.320 1.00 0.00 H new ATOM 0 HH TYR A 25 1.805 6.524 21.956 1.00 0.00 H new ATOM 418 N CYS A 26 -1.147 12.691 23.468 1.00 0.00 N ATOM 419 CA CYS A 26 -1.775 12.422 22.215 1.00 0.00 C ATOM 420 C CYS A 26 -1.791 13.605 21.303 1.00 0.00 C ATOM 421 O CYS A 26 -1.916 13.451 20.089 1.00 0.00 O ATOM 422 CB CYS A 26 -3.142 11.766 22.296 1.00 0.00 C ATOM 423 SG CYS A 26 -3.223 10.653 20.874 1.00 0.00 S ATOM 0 H CYS A 26 -1.780 12.934 24.230 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.126 11.666 21.773 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.261 11.219 23.231 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.938 12.510 22.259 1.00 0.00 H new ATOM 428 N GLU A 27 -1.624 14.819 21.869 1.00 0.00 N ATOM 429 CA GLU A 27 -1.399 15.993 21.081 1.00 0.00 C ATOM 430 C GLU A 27 -0.009 15.946 20.536 1.00 0.00 C ATOM 431 O GLU A 27 0.199 16.314 19.382 1.00 0.00 O ATOM 432 CB GLU A 27 -1.576 17.306 21.860 1.00 0.00 C ATOM 433 CG GLU A 27 -3.053 17.623 22.106 1.00 0.00 C ATOM 434 CD GLU A 27 -3.161 18.843 23.007 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.685 19.933 22.593 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.729 18.700 24.123 1.00 0.00 O ATOM 0 H GLU A 27 -1.645 14.985 22.875 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.150 15.990 20.291 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.055 17.236 22.815 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.116 18.123 21.305 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.559 17.810 21.159 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.548 16.769 22.569 1.00 0.00 H new ATOM 443 N SER A 28 0.964 15.478 21.356 1.00 0.00 N ATOM 444 CA SER A 28 2.335 15.375 20.940 1.00 0.00 C ATOM 445 C SER A 28 2.560 14.349 19.870 1.00 0.00 C ATOM 446 O SER A 28 3.370 14.590 18.980 1.00 0.00 O ATOM 447 CB SER A 28 3.305 15.071 22.094 1.00 0.00 C ATOM 448 OG SER A 28 4.648 15.088 21.635 1.00 0.00 O ATOM 0 H SER A 28 0.795 15.170 22.314 1.00 0.00 H new ATOM 0 HA SER A 28 2.548 16.367 20.541 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.177 15.807 22.888 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.074 14.096 22.523 1.00 0.00 H new ATOM 0 HG SER A 28 5.252 14.894 22.382 1.00 0.00 H new ATOM 454 N ILE A 29 1.864 13.193 19.933 1.00 0.00 N ATOM 455 CA ILE A 29 2.092 12.117 18.999 1.00 0.00 C ATOM 456 C ILE A 29 1.276 12.273 17.752 1.00 0.00 C ATOM 457 O ILE A 29 1.686 11.783 16.706 1.00 0.00 O ATOM 458 CB ILE A 29 2.045 10.698 19.566 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.599 9.662 18.568 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.639 10.298 20.034 1.00 0.00 C ATOM 461 CD1 ILE A 29 3.023 8.363 19.236 1.00 0.00 C ATOM 0 H ILE A 29 1.143 13.000 20.629 1.00 0.00 H new ATOM 0 HA ILE A 29 3.143 12.229 18.733 1.00 0.00 H new ATOM 0 HB ILE A 29 2.692 10.704 20.443 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.839 9.447 17.817 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.453 10.091 18.044 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.662 9.282 20.428 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.307 10.982 20.815 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.052 10.346 19.192 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.404 7.674 18.482 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.804 8.568 19.968 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.165 7.915 19.737 1.00 0.00 H new ATOM 473 N MET A 30 0.126 12.983 17.790 1.00 0.00 N ATOM 474 CA MET A 30 -0.574 13.233 16.554 1.00 0.00 C ATOM 475 C MET A 30 0.130 14.338 15.816 1.00 0.00 C ATOM 476 O MET A 30 0.056 14.399 14.593 1.00 0.00 O ATOM 477 CB MET A 30 -2.070 13.572 16.684 1.00 0.00 C ATOM 478 CG MET A 30 -2.929 12.404 17.202 1.00 0.00 C ATOM 479 SD MET A 30 -3.828 11.532 15.883 1.00 0.00 S ATOM 480 CE MET A 30 -5.032 10.668 16.930 1.00 0.00 C ATOM 0 H MET A 30 -0.305 13.368 18.631 1.00 0.00 H new ATOM 0 HA MET A 30 -0.552 12.289 16.010 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.183 14.421 17.358 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.448 13.885 15.711 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.288 11.695 17.725 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.645 12.784 17.931 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.887 10.363 16.326 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.565 9.786 17.370 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.368 11.335 17.724 1.00 0.00 H new ATOM 490 N ARG A 31 0.851 15.222 16.541 1.00 0.00 N ATOM 491 CA ARG A 31 1.685 16.232 15.946 1.00 0.00 C ATOM 492 C ARG A 31 2.927 15.642 15.332 1.00 0.00 C ATOM 493 O ARG A 31 3.370 16.112 14.283 1.00 0.00 O ATOM 494 CB ARG A 31 2.093 17.283 16.995 1.00 0.00 C ATOM 495 CG ARG A 31 2.861 18.509 16.481 1.00 0.00 C ATOM 496 CD ARG A 31 3.060 19.552 17.589 1.00 0.00 C ATOM 497 NE ARG A 31 3.740 18.873 18.731 1.00 0.00 N ATOM 498 CZ ARG A 31 3.743 19.411 19.986 1.00 0.00 C ATOM 499 NH1 ARG A 31 3.222 20.652 20.211 1.00 0.00 N ATOM 500 NH2 ARG A 31 4.272 18.697 21.023 1.00 0.00 N ATOM 0 H ARG A 31 0.855 15.236 17.561 1.00 0.00 H new ATOM 0 HA ARG A 31 1.099 16.704 15.157 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.190 17.633 17.495 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.705 16.790 17.750 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.831 18.197 16.095 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.317 18.958 15.650 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.661 20.386 17.226 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.101 19.964 17.904 1.00 0.00 H new ATOM 0 HE ARG A 31 4.214 17.985 18.570 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.826 21.187 19.438 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.229 21.045 21.152 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.661 17.769 20.857 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.278 19.092 21.963 1.00 0.00 H new ATOM 514 N ARG A 32 3.528 14.621 15.985 1.00 0.00 N ATOM 515 CA ARG A 32 4.819 14.109 15.604 1.00 0.00 C ATOM 516 C ARG A 32 4.697 13.185 14.437 1.00 0.00 C ATOM 517 O ARG A 32 5.535 13.202 13.537 1.00 0.00 O ATOM 518 CB ARG A 32 5.518 13.333 16.743 1.00 0.00 C ATOM 519 CG ARG A 32 7.052 13.265 16.636 1.00 0.00 C ATOM 520 CD ARG A 32 7.773 14.622 16.738 1.00 0.00 C ATOM 521 NE ARG A 32 7.576 15.204 18.109 1.00 0.00 N ATOM 522 CZ ARG A 32 6.799 16.302 18.356 1.00 0.00 C ATOM 523 NH1 ARG A 32 6.053 16.877 17.370 1.00 0.00 N ATOM 524 NH2 ARG A 32 6.757 16.821 19.620 1.00 0.00 N ATOM 0 H ARG A 32 3.114 14.145 16.786 1.00 0.00 H new ATOM 0 HA ARG A 32 5.420 14.983 15.352 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.255 13.797 17.694 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.125 12.317 16.765 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.427 12.611 17.423 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.315 12.802 15.685 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.837 14.494 16.537 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.386 15.307 15.984 1.00 0.00 H new ATOM 0 HE ARG A 32 8.046 14.757 18.896 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.068 16.489 16.427 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.480 17.696 17.575 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.302 16.390 20.367 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.181 17.640 19.816 1.00 0.00 H new ATOM 538 N ARG A 33 3.637 12.348 14.444 1.00 0.00 N ATOM 539 CA ARG A 33 3.411 11.365 13.426 1.00 0.00 C ATOM 540 C ARG A 33 2.787 11.995 12.213 1.00 0.00 C ATOM 541 O ARG A 33 2.919 11.469 11.109 1.00 0.00 O ATOM 542 CB ARG A 33 2.503 10.236 13.948 1.00 0.00 C ATOM 543 CG ARG A 33 2.971 8.803 13.662 1.00 0.00 C ATOM 544 CD ARG A 33 4.399 8.468 14.124 1.00 0.00 C ATOM 545 NE ARG A 33 4.592 8.911 15.535 1.00 0.00 N ATOM 546 CZ ARG A 33 5.846 8.967 16.074 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.928 8.572 15.343 1.00 0.00 N ATOM 548 NH2 ARG A 33 6.021 9.422 17.349 1.00 0.00 N ATOM 0 H ARG A 33 2.923 12.356 15.173 1.00 0.00 H new ATOM 0 HA ARG A 33 4.376 10.941 13.150 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.397 10.353 15.027 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.511 10.366 13.514 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.280 8.111 14.144 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.904 8.625 12.589 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.575 7.395 14.043 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.125 8.960 13.477 1.00 0.00 H new ATOM 0 HE ARG A 33 3.784 9.173 16.100 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.803 8.233 14.389 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.862 8.616 15.750 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.215 9.720 17.899 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.957 9.464 17.752 1.00 0.00 H new ATOM 562 N GLY A 34 2.116 13.155 12.400 1.00 0.00 N ATOM 563 CA GLY A 34 1.664 13.971 11.308 1.00 0.00 C ATOM 564 C GLY A 34 0.303 13.533 10.892 1.00 0.00 C ATOM 565 O GLY A 34 0.034 13.357 9.705 1.00 0.00 O ATOM 0 H GLY A 34 1.885 13.529 13.320 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.645 15.019 11.607 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.356 13.891 10.469 1.00 0.00 H new ATOM 569 N LEU A 35 -0.587 13.359 11.891 1.00 0.00 N ATOM 570 CA LEU A 35 -1.948 12.964 11.678 1.00 0.00 C ATOM 571 C LEU A 35 -2.809 14.076 12.168 1.00 0.00 C ATOM 572 O LEU A 35 -4.031 13.952 12.218 1.00 0.00 O ATOM 573 CB LEU A 35 -2.363 11.747 12.515 1.00 0.00 C ATOM 574 CG LEU A 35 -1.483 10.491 12.346 1.00 0.00 C ATOM 575 CD1 LEU A 35 -1.974 9.352 13.257 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.389 10.029 10.882 1.00 0.00 C ATOM 0 H LEU A 35 -0.352 13.497 12.874 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.053 12.727 10.619 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.358 12.033 13.567 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.390 11.486 12.260 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.474 10.767 12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.338 8.477 13.120 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.930 9.674 14.298 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.002 9.097 12.999 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.758 9.142 10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.386 9.792 10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.956 10.825 10.276 1.00 0.00 H new ATOM 588 N THR A 36 -2.161 15.202 12.542 1.00 0.00 N ATOM 589 CA THR A 36 -2.839 16.368 13.034 1.00 0.00 C ATOM 590 C THR A 36 -3.061 17.298 11.882 1.00 0.00 C ATOM 591 O THR A 36 -3.639 18.368 12.045 1.00 0.00 O ATOM 592 CB THR A 36 -2.113 17.078 14.164 1.00 0.00 C ATOM 593 OG1 THR A 36 -2.973 17.999 14.819 1.00 0.00 O ATOM 594 CG2 THR A 36 -0.838 17.801 13.682 1.00 0.00 C ATOM 0 H THR A 36 -1.147 15.303 12.501 1.00 0.00 H new ATOM 0 HA THR A 36 -3.784 16.042 13.468 1.00 0.00 H new ATOM 0 HB THR A 36 -1.808 16.306 14.871 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.778 18.136 14.278 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.357 18.292 14.528 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.152 17.076 13.245 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.104 18.546 12.933 1.00 0.00 H new ATOM 602 N SER A 37 -2.605 16.908 10.676 1.00 0.00 N ATOM 603 CA SER A 37 -2.747 17.707 9.505 1.00 0.00 C ATOM 604 C SER A 37 -3.503 16.918 8.473 1.00 0.00 C ATOM 605 O SER A 37 -2.880 16.079 7.823 1.00 0.00 O ATOM 606 CB SER A 37 -1.363 17.994 8.919 1.00 0.00 C ATOM 607 OG SER A 37 -0.679 18.948 9.716 1.00 0.00 O ATOM 0 H SER A 37 -2.129 16.020 10.516 1.00 0.00 H new ATOM 0 HA SER A 37 -3.263 18.632 9.760 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.784 17.072 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.462 18.366 7.899 1.00 0.00 H new ATOM 0 HG SER A 37 0.206 19.122 9.331 1.00 0.00 H new ATOM 613 N PRO A 38 -4.792 17.120 8.216 1.00 0.00 N ATOM 614 CA PRO A 38 -5.782 17.703 9.086 1.00 0.00 C ATOM 615 C PRO A 38 -6.098 16.675 10.137 1.00 0.00 C ATOM 616 O PRO A 38 -5.842 15.489 9.923 1.00 0.00 O ATOM 617 CB PRO A 38 -6.995 17.922 8.180 1.00 0.00 C ATOM 618 CG PRO A 38 -6.872 16.842 7.101 1.00 0.00 C ATOM 619 CD PRO A 38 -5.359 16.645 6.969 1.00 0.00 C ATOM 0 HA PRO A 38 -5.473 18.628 9.573 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.928 17.823 8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.989 18.921 7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.373 15.920 7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.320 17.161 6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.114 15.596 6.802 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.964 17.204 6.121 1.00 0.00 H new ATOM 627 N CYS A 39 -6.631 17.142 11.291 1.00 0.00 N ATOM 628 CA CYS A 39 -6.825 16.362 12.471 1.00 0.00 C ATOM 629 C CYS A 39 -7.789 15.245 12.248 1.00 0.00 C ATOM 630 O CYS A 39 -8.952 15.461 11.905 1.00 0.00 O ATOM 631 CB CYS A 39 -7.317 17.250 13.622 1.00 0.00 C ATOM 632 SG CYS A 39 -6.229 18.690 13.804 1.00 0.00 S ATOM 0 H CYS A 39 -6.938 18.109 11.398 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.861 15.925 12.733 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.338 17.578 13.428 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.336 16.679 14.550 1.00 0.00 H new ATOM 637 N LYS A 40 -7.265 14.013 12.441 1.00 0.00 N ATOM 638 CA LYS A 40 -7.987 12.785 12.295 1.00 0.00 C ATOM 639 C LYS A 40 -8.908 12.707 13.461 1.00 0.00 C ATOM 640 O LYS A 40 -8.499 12.986 14.586 1.00 0.00 O ATOM 641 CB LYS A 40 -7.043 11.560 12.296 1.00 0.00 C ATOM 642 CG LYS A 40 -7.711 10.196 12.043 1.00 0.00 C ATOM 643 CD LYS A 40 -8.410 10.081 10.680 1.00 0.00 C ATOM 644 CE LYS A 40 -8.954 8.676 10.396 1.00 0.00 C ATOM 645 NZ LYS A 40 -10.004 8.316 11.373 1.00 0.00 N ATOM 0 H LYS A 40 -6.292 13.871 12.711 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.519 12.771 11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.278 11.715 11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.532 11.520 13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.955 9.414 12.118 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.441 10.010 12.830 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.231 10.797 10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.707 10.357 9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.361 8.635 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.142 7.950 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.395 7.383 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.594 8.285 12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.763 9.027 11.345 1.00 0.00 H new ATOM 659 N ASP A 41 -10.180 12.349 13.174 1.00 0.00 N ATOM 660 CA ASP A 41 -11.285 12.486 14.081 1.00 0.00 C ATOM 661 C ASP A 41 -11.247 11.496 15.195 1.00 0.00 C ATOM 662 O ASP A 41 -11.630 11.824 16.315 1.00 0.00 O ATOM 663 CB ASP A 41 -12.642 12.332 13.383 1.00 0.00 C ATOM 664 CG ASP A 41 -12.708 13.362 12.266 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.639 14.582 12.578 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.825 12.944 11.083 1.00 0.00 O ATOM 0 H ASP A 41 -10.448 11.949 12.275 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.180 13.495 14.479 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.753 11.325 12.981 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.456 12.484 14.092 1.00 0.00 H new ATOM 671 N ILE A 42 -10.797 10.258 14.926 1.00 0.00 N ATOM 672 CA ILE A 42 -10.602 9.330 15.997 1.00 0.00 C ATOM 673 C ILE A 42 -9.570 8.373 15.501 1.00 0.00 C ATOM 674 O ILE A 42 -9.726 7.762 14.445 1.00 0.00 O ATOM 675 CB ILE A 42 -11.877 8.655 16.504 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.576 7.766 17.729 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.640 7.923 15.376 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.834 7.380 18.509 1.00 0.00 C ATOM 0 H ILE A 42 -10.573 9.906 13.995 1.00 0.00 H new ATOM 0 HA ILE A 42 -10.268 9.850 16.895 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.561 9.432 16.846 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.068 6.860 17.398 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.890 8.292 18.393 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.538 7.460 15.785 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.921 8.638 14.603 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.000 7.154 14.943 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.558 6.755 19.358 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.331 8.282 18.868 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.511 6.828 17.857 1.00 0.00 H new ATOM 690 N ASN A 43 -8.462 8.242 16.258 1.00 0.00 N ATOM 691 CA ASN A 43 -7.457 7.294 15.856 1.00 0.00 C ATOM 692 C ASN A 43 -6.703 6.835 17.049 1.00 0.00 C ATOM 693 O ASN A 43 -6.575 7.546 18.041 1.00 0.00 O ATOM 694 CB ASN A 43 -6.413 7.804 14.850 1.00 0.00 C ATOM 695 CG ASN A 43 -6.309 6.805 13.700 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.127 6.121 13.642 1.00 0.00 O flip ATOM 697 ND2 ASN A 43 -7.231 6.645 12.892 1.00 0.00 N flip ATOM 0 H ASN A 43 -8.263 8.765 17.111 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.023 6.505 15.360 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.700 8.785 14.473 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.445 7.921 15.337 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.091 7.185 12.986 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.131 5.973 12.131 1.00 0.00 H new ATOM 704 N THR A 44 -6.197 5.594 16.942 1.00 0.00 N ATOM 705 CA THR A 44 -5.654 4.860 18.039 1.00 0.00 C ATOM 706 C THR A 44 -4.191 4.698 17.851 1.00 0.00 C ATOM 707 O THR A 44 -3.742 4.363 16.760 1.00 0.00 O ATOM 708 CB THR A 44 -6.303 3.508 18.066 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.683 3.715 18.294 1.00 0.00 O ATOM 710 CG2 THR A 44 -5.735 2.597 19.163 1.00 0.00 C ATOM 0 H THR A 44 -6.165 5.084 16.059 1.00 0.00 H new ATOM 0 HA THR A 44 -5.838 5.389 18.974 1.00 0.00 H new ATOM 0 HB THR A 44 -6.111 3.006 17.118 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.149 2.853 18.286 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.243 1.633 19.134 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.668 2.450 18.998 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.891 3.060 20.137 1.00 0.00 H new ATOM 718 N PHE A 45 -3.422 4.898 18.943 1.00 0.00 N ATOM 719 CA PHE A 45 -2.070 4.420 18.992 1.00 0.00 C ATOM 720 C PHE A 45 -2.081 3.138 19.762 1.00 0.00 C ATOM 721 O PHE A 45 -2.420 3.122 20.941 1.00 0.00 O ATOM 722 CB PHE A 45 -1.052 5.376 19.630 1.00 0.00 C ATOM 723 CG PHE A 45 -0.966 6.579 18.752 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.848 7.614 18.973 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.072 6.672 17.697 1.00 0.00 C ATOM 726 CE1 PHE A 45 -1.887 8.692 18.118 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.092 7.765 16.858 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.007 8.778 17.059 1.00 0.00 C ATOM 0 H PHE A 45 -3.733 5.386 19.783 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.740 4.306 17.959 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.365 5.656 20.636 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.078 4.896 19.721 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.513 7.579 19.823 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.646 5.882 17.531 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.612 9.476 18.277 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.611 7.829 16.040 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.034 9.629 16.395 1.00 0.00 H new ATOM 738 N ILE A 46 -1.707 2.028 19.084 1.00 0.00 N ATOM 739 CA ILE A 46 -1.679 0.713 19.659 1.00 0.00 C ATOM 740 C ILE A 46 -0.312 0.570 20.225 1.00 0.00 C ATOM 741 O ILE A 46 0.649 1.160 19.746 1.00 0.00 O ATOM 742 CB ILE A 46 -1.899 -0.385 18.631 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.259 -0.161 17.931 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.771 -1.803 19.238 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.567 -1.195 16.849 1.00 0.00 C ATOM 0 H ILE A 46 -1.416 2.049 18.107 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.477 0.610 20.394 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.107 -0.326 17.884 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.051 -0.183 18.679 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.269 0.834 17.485 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.937 -2.548 18.460 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.772 -1.931 19.656 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.513 -1.930 20.026 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.536 -0.975 16.401 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.795 -1.158 16.080 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.590 -2.190 17.293 1.00 0.00 H new ATOM 757 N HIS A 47 -0.235 -0.241 21.284 1.00 0.00 N ATOM 758 CA HIS A 47 0.950 -0.476 22.061 1.00 0.00 C ATOM 759 C HIS A 47 1.017 -1.920 22.411 1.00 0.00 C ATOM 760 O HIS A 47 0.016 -2.526 22.795 1.00 0.00 O ATOM 761 CB HIS A 47 0.946 0.198 23.433 1.00 0.00 C ATOM 762 CG HIS A 47 0.222 1.499 23.467 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.623 2.589 22.732 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.829 1.920 24.223 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.189 3.609 23.069 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.088 3.256 23.968 1.00 0.00 N ATOM 0 H HIS A 47 -1.040 -0.767 21.624 1.00 0.00 H new ATOM 0 HA HIS A 47 1.764 -0.095 21.445 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.491 -0.478 24.157 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.976 0.359 23.750 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.389 2.619 22.060 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.379 1.303 24.918 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.113 4.602 22.651 1.00 0.00 H new ATOM 774 N GLY A 48 2.229 -2.492 22.351 1.00 0.00 N ATOM 775 CA GLY A 48 2.408 -3.836 22.802 1.00 0.00 C ATOM 776 C GLY A 48 3.677 -4.299 22.192 1.00 0.00 C ATOM 777 O GLY A 48 4.647 -3.547 22.128 1.00 0.00 O ATOM 0 H GLY A 48 3.071 -2.037 21.998 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.458 -3.880 23.890 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.573 -4.466 22.495 1.00 0.00 H new ATOM 781 N ASN A 49 3.677 -5.562 21.725 1.00 0.00 N ATOM 782 CA ASN A 49 4.756 -6.082 20.941 1.00 0.00 C ATOM 783 C ASN A 49 4.280 -6.077 19.533 1.00 0.00 C ATOM 784 O ASN A 49 3.102 -6.292 19.252 1.00 0.00 O ATOM 785 CB ASN A 49 5.141 -7.530 21.278 1.00 0.00 C ATOM 786 CG ASN A 49 6.208 -7.530 22.367 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.992 -7.071 23.494 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.405 -8.078 21.989 1.00 0.00 N ATOM 0 H ASN A 49 2.923 -6.228 21.892 1.00 0.00 H new ATOM 0 HA ASN A 49 5.635 -5.467 21.133 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.263 -8.083 21.613 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.515 -8.035 20.387 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.178 -8.123 22.653 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.524 -8.441 21.043 1.00 0.00 H new ATOM 795 N LYS A 50 5.237 -5.867 18.604 1.00 0.00 N ATOM 796 CA LYS A 50 4.982 -5.839 17.193 1.00 0.00 C ATOM 797 C LYS A 50 5.032 -7.257 16.702 1.00 0.00 C ATOM 798 O LYS A 50 4.573 -7.582 15.607 1.00 0.00 O ATOM 799 CB LYS A 50 6.105 -5.085 16.453 1.00 0.00 C ATOM 800 CG LYS A 50 5.794 -4.705 14.996 1.00 0.00 C ATOM 801 CD LYS A 50 6.913 -3.887 14.326 1.00 0.00 C ATOM 802 CE LYS A 50 8.260 -4.612 14.219 1.00 0.00 C ATOM 803 NZ LYS A 50 8.112 -5.887 13.485 1.00 0.00 N ATOM 0 H LYS A 50 6.217 -5.712 18.843 1.00 0.00 H new ATOM 0 HA LYS A 50 4.023 -5.354 17.012 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.335 -4.175 17.007 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.004 -5.702 16.466 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.624 -5.614 14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.868 -4.131 14.968 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.588 -3.604 13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.056 -2.964 14.888 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.982 -3.975 13.708 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.655 -4.805 15.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.051 -6.304 13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.534 -6.545 14.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.647 -5.710 12.572 1.00 0.00 H new ATOM 817 N ARG A 51 5.617 -8.132 17.544 1.00 0.00 N ATOM 818 CA ARG A 51 5.733 -9.542 17.334 1.00 0.00 C ATOM 819 C ARG A 51 4.393 -10.137 17.607 1.00 0.00 C ATOM 820 O ARG A 51 4.002 -11.115 16.972 1.00 0.00 O ATOM 821 CB ARG A 51 6.735 -10.224 18.294 1.00 0.00 C ATOM 822 CG ARG A 51 8.227 -9.903 18.057 1.00 0.00 C ATOM 823 CD ARG A 51 8.639 -8.443 18.286 1.00 0.00 C ATOM 824 NE ARG A 51 10.119 -8.348 18.166 1.00 0.00 N ATOM 825 CZ ARG A 51 10.732 -7.127 18.166 1.00 0.00 C ATOM 826 NH1 ARG A 51 9.996 -5.983 18.274 1.00 0.00 N ATOM 827 NH2 ARG A 51 12.091 -7.053 18.055 1.00 0.00 N ATOM 0 H ARG A 51 6.034 -7.834 18.426 1.00 0.00 H new ATOM 0 HA ARG A 51 6.088 -9.698 16.315 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.481 -9.939 19.315 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.600 -11.303 18.221 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.824 -10.537 18.713 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.480 -10.176 17.033 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.157 -7.794 17.555 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.316 -8.108 19.272 1.00 0.00 H new ATOM 0 HE ARG A 51 10.678 -9.197 18.083 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.981 -6.036 18.356 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.461 -5.075 18.273 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.643 -7.907 17.973 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.554 -6.144 18.054 1.00 0.00 H new ATOM 841 N SER A 52 3.663 -9.530 18.566 1.00 0.00 N ATOM 842 CA SER A 52 2.328 -9.892 18.896 1.00 0.00 C ATOM 843 C SER A 52 1.371 -9.393 17.871 1.00 0.00 C ATOM 844 O SER A 52 0.397 -10.102 17.638 1.00 0.00 O ATOM 845 CB SER A 52 1.885 -9.413 20.277 1.00 0.00 C ATOM 846 OG SER A 52 2.607 -10.099 21.286 1.00 0.00 O ATOM 0 H SER A 52 4.023 -8.759 19.128 1.00 0.00 H new ATOM 0 HA SER A 52 2.321 -10.982 18.916 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.049 -8.339 20.368 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.816 -9.584 20.404 1.00 0.00 H new ATOM 0 HG SER A 52 2.317 -9.784 22.167 1.00 0.00 H new ATOM 852 N ILE A 53 1.614 -8.199 17.253 1.00 0.00 N ATOM 853 CA ILE A 53 0.825 -7.694 16.136 1.00 0.00 C ATOM 854 C ILE A 53 0.792 -8.700 15.033 1.00 0.00 C ATOM 855 O ILE A 53 -0.287 -9.098 14.608 1.00 0.00 O ATOM 856 CB ILE A 53 1.305 -6.371 15.532 1.00 0.00 C ATOM 857 CG1 ILE A 53 1.199 -5.220 16.556 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.527 -6.010 14.241 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.241 -4.848 16.900 1.00 0.00 C ATOM 0 H ILE A 53 2.370 -7.574 17.532 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.158 -7.509 16.569 1.00 0.00 H new ATOM 0 HB ILE A 53 2.353 -6.507 15.266 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.721 -5.506 17.469 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.709 -4.342 16.159 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.898 -5.065 13.845 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.669 -6.796 13.499 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.534 -5.915 14.470 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.243 -4.033 17.624 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.761 -4.531 15.996 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.749 -5.713 17.326 1.00 0.00 H new ATOM 871 N LYS A 54 1.976 -9.129 14.562 1.00 0.00 N ATOM 872 CA LYS A 54 2.117 -10.104 13.502 1.00 0.00 C ATOM 873 C LYS A 54 1.541 -11.448 13.852 1.00 0.00 C ATOM 874 O LYS A 54 0.967 -12.116 12.988 1.00 0.00 O ATOM 875 CB LYS A 54 3.574 -10.316 13.065 1.00 0.00 C ATOM 876 CG LYS A 54 4.102 -9.100 12.299 1.00 0.00 C ATOM 877 CD LYS A 54 5.584 -9.201 11.928 1.00 0.00 C ATOM 878 CE LYS A 54 6.080 -7.968 11.166 1.00 0.00 C ATOM 879 NZ LYS A 54 7.506 -8.122 10.810 1.00 0.00 N ATOM 0 H LYS A 54 2.869 -8.793 14.923 1.00 0.00 H new ATOM 0 HA LYS A 54 1.550 -9.670 12.678 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.197 -10.497 13.941 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.643 -11.204 12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.517 -8.973 11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.948 -8.206 12.904 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.175 -9.326 12.835 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.743 -10.090 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.486 -7.828 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.946 -7.076 11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.828 -7.278 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.070 -8.234 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.625 -8.962 10.209 1.00 0.00 H new ATOM 893 N ALA A 55 1.643 -11.859 15.140 1.00 0.00 N ATOM 894 CA ALA A 55 1.129 -13.116 15.619 1.00 0.00 C ATOM 895 C ALA A 55 -0.368 -13.147 15.785 1.00 0.00 C ATOM 896 O ALA A 55 -0.909 -14.186 16.154 1.00 0.00 O ATOM 897 CB ALA A 55 1.723 -13.522 16.976 1.00 0.00 C ATOM 0 H ALA A 55 2.095 -11.302 15.865 1.00 0.00 H new ATOM 0 HA ALA A 55 1.425 -13.813 14.835 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.299 -14.477 17.288 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.805 -13.617 16.886 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.487 -12.760 17.719 1.00 0.00 H new ATOM 903 N ILE A 56 -1.083 -12.034 15.488 1.00 0.00 N ATOM 904 CA ILE A 56 -2.522 -12.009 15.470 1.00 0.00 C ATOM 905 C ILE A 56 -2.993 -12.734 14.244 1.00 0.00 C ATOM 906 O ILE A 56 -4.073 -13.322 14.256 1.00 0.00 O ATOM 907 CB ILE A 56 -3.124 -10.608 15.534 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.676 -9.833 16.791 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.663 -10.662 15.494 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.678 -10.642 18.091 1.00 0.00 C ATOM 0 H ILE A 56 -0.653 -11.138 15.257 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.868 -12.505 16.377 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.754 -10.078 14.656 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.670 -9.449 16.622 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.329 -8.970 16.918 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.064 -9.650 15.541 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.986 -11.138 14.568 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.029 -11.237 16.344 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.348 -10.008 18.914 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.686 -11.004 18.293 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.001 -11.491 17.992 1.00 0.00 H new ATOM 922 N CYS A 57 -2.169 -12.754 13.169 1.00 0.00 N ATOM 923 CA CYS A 57 -2.537 -13.466 11.975 1.00 0.00 C ATOM 924 C CYS A 57 -1.981 -14.868 11.971 1.00 0.00 C ATOM 925 O CYS A 57 -2.093 -15.593 10.985 1.00 0.00 O ATOM 926 CB CYS A 57 -2.191 -12.723 10.676 1.00 0.00 C ATOM 927 SG CYS A 57 -3.208 -13.328 9.294 1.00 0.00 S ATOM 0 H CYS A 57 -1.264 -12.285 13.127 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.625 -13.529 11.998 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.351 -11.653 10.810 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.135 -12.860 10.444 1.00 0.00 H new ATOM 932 N GLU A 58 -1.411 -15.306 13.112 1.00 0.00 N ATOM 933 CA GLU A 58 -1.233 -16.705 13.374 1.00 0.00 C ATOM 934 C GLU A 58 -2.492 -17.149 14.043 1.00 0.00 C ATOM 935 O GLU A 58 -3.250 -16.338 14.574 1.00 0.00 O ATOM 936 CB GLU A 58 -0.066 -17.030 14.325 1.00 0.00 C ATOM 937 CG GLU A 58 1.302 -16.680 13.735 1.00 0.00 C ATOM 938 CD GLU A 58 2.362 -17.041 14.765 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.453 -18.245 15.125 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.099 -16.118 15.205 1.00 0.00 O ATOM 0 H GLU A 58 -1.073 -14.692 13.853 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.009 -17.204 12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.203 -16.485 15.259 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.089 -18.092 14.570 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.469 -17.228 12.808 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.352 -15.619 13.492 1.00 0.00 H new ATOM 947 N ASN A 59 -2.721 -18.481 14.051 1.00 0.00 N ATOM 948 CA ASN A 59 -3.892 -19.069 14.640 1.00 0.00 C ATOM 949 C ASN A 59 -3.628 -19.339 16.097 1.00 0.00 C ATOM 950 O ASN A 59 -4.542 -19.668 16.854 1.00 0.00 O ATOM 951 CB ASN A 59 -4.284 -20.385 13.935 1.00 0.00 C ATOM 952 CG ASN A 59 -5.706 -20.802 14.316 1.00 0.00 C ATOM 953 OD1 ASN A 59 -6.701 -19.972 13.880 1.00 0.00 O flip ATOM 954 ND2 ASN A 59 -5.916 -21.834 14.966 1.00 0.00 N flip ATOM 0 H ASN A 59 -2.081 -19.161 13.641 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.720 -18.369 14.526 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.214 -20.259 12.855 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.583 -21.173 14.210 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.134 -22.416 15.265 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.871 -22.102 15.202 1.00 0.00 H new ATOM 961 N LYS A 60 -2.349 -19.190 16.506 1.00 0.00 N ATOM 962 CA LYS A 60 -1.886 -19.358 17.852 1.00 0.00 C ATOM 963 C LYS A 60 -2.422 -18.268 18.721 1.00 0.00 C ATOM 964 O LYS A 60 -2.954 -18.532 19.799 1.00 0.00 O ATOM 965 CB LYS A 60 -0.341 -19.321 17.914 1.00 0.00 C ATOM 966 CG LYS A 60 0.266 -19.551 19.308 1.00 0.00 C ATOM 967 CD LYS A 60 1.803 -19.637 19.298 1.00 0.00 C ATOM 968 CE LYS A 60 2.516 -18.350 18.860 1.00 0.00 C ATOM 969 NZ LYS A 60 2.161 -17.219 19.747 1.00 0.00 N ATOM 0 H LYS A 60 -1.600 -18.939 15.861 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.239 -20.327 18.205 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.052 -20.078 17.235 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.002 -18.354 17.543 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.041 -18.740 19.968 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.140 -20.473 19.725 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.145 -19.903 20.298 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.103 -20.447 18.633 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.595 -18.504 18.876 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.243 -18.110 17.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.551 -16.552 19.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.655 -17.578 20.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.028 -16.731 20.051 1.00 0.00 H new ATOM 983 N ASN A 61 -2.249 -17.017 18.263 1.00 0.00 N ATOM 984 CA ASN A 61 -2.485 -15.861 19.078 1.00 0.00 C ATOM 985 C ASN A 61 -3.489 -14.981 18.385 1.00 0.00 C ATOM 986 O ASN A 61 -3.425 -13.757 18.449 1.00 0.00 O ATOM 987 CB ASN A 61 -1.154 -15.132 19.383 1.00 0.00 C ATOM 988 CG ASN A 61 -1.331 -14.051 20.447 1.00 0.00 C ATOM 989 OD1 ASN A 61 -2.031 -14.254 21.445 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.665 -12.877 20.208 1.00 0.00 N ATOM 0 H ASN A 61 -1.941 -16.801 17.315 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.899 -16.151 20.044 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.412 -15.856 19.720 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.768 -14.682 18.468 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.732 -12.108 20.875 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.102 -12.773 19.364 1.00 0.00 H new ATOM 997 N GLY A 62 -4.490 -15.592 17.724 1.00 0.00 N ATOM 998 CA GLY A 62 -5.574 -14.815 17.194 1.00 0.00 C ATOM 999 C GLY A 62 -6.502 -15.766 16.517 1.00 0.00 C ATOM 1000 O GLY A 62 -6.092 -16.833 16.067 1.00 0.00 O ATOM 0 H GLY A 62 -4.552 -16.597 17.558 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.087 -14.276 17.990 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.206 -14.069 16.490 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.797 -15.388 16.459 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.843 -16.207 15.918 1.00 0.00 C ATOM 1006 C ASN A 63 -9.194 -15.616 14.585 1.00 0.00 C ATOM 1007 O ASN A 63 -8.945 -14.427 14.394 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.113 -16.162 16.787 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.847 -16.902 18.096 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.852 -18.138 18.134 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.617 -16.114 19.190 1.00 0.00 N ATOM 0 H ASN A 63 -8.125 -14.484 16.799 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.500 -17.240 15.863 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.394 -15.129 16.989 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.948 -16.622 16.258 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.437 -16.542 20.098 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.625 -15.098 19.098 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.764 -16.363 13.647 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.270 -15.822 12.416 1.00 0.00 C ATOM 1020 C PRO A 64 -11.550 -15.117 12.746 1.00 0.00 C ATOM 1021 O PRO A 64 -12.330 -15.606 13.564 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.502 -17.038 11.517 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.680 -18.215 12.480 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.819 -17.815 13.678 1.00 0.00 C ATOM 0 HA PRO A 64 -9.608 -15.112 11.920 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.384 -16.903 10.891 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.658 -17.200 10.847 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.724 -18.351 12.761 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.344 -19.153 12.037 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.255 -18.172 14.611 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.821 -18.247 13.606 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.766 -13.953 12.105 1.00 0.00 N ATOM 1033 CA HIS A 65 -12.901 -13.128 12.376 1.00 0.00 C ATOM 1034 C HIS A 65 -13.427 -12.670 11.060 1.00 0.00 C ATOM 1035 O HIS A 65 -12.654 -12.212 10.223 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.504 -11.879 13.186 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.611 -10.887 13.377 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.734 -11.156 14.110 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -13.722 -9.616 12.925 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.505 -10.077 14.100 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -14.913 -9.128 13.388 1.00 0.00 N ATOM 0 H HIS A 65 -11.143 -13.580 11.388 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.634 -13.695 12.950 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.143 -12.195 14.165 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.672 -11.385 12.684 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -14.943 -12.035 14.583 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.005 -9.087 12.314 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.462 -9.986 14.593 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.767 -12.767 10.894 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.529 -12.193 9.812 1.00 0.00 C ATOM 1052 C ARG A 66 -15.126 -12.752 8.472 1.00 0.00 C ATOM 1053 O ARG A 66 -15.509 -13.867 8.122 1.00 0.00 O ATOM 1054 CB ARG A 66 -15.529 -10.645 9.836 1.00 0.00 C ATOM 1055 CG ARG A 66 -16.673 -9.993 9.038 1.00 0.00 C ATOM 1056 CD ARG A 66 -16.606 -8.461 9.028 1.00 0.00 C ATOM 1057 NE ARG A 66 -16.663 -7.972 10.437 1.00 0.00 N ATOM 1058 CZ ARG A 66 -16.422 -6.661 10.734 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -16.173 -5.761 9.738 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -16.417 -6.250 12.036 1.00 0.00 N ATOM 0 H ARG A 66 -15.354 -13.277 11.554 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.564 -12.494 9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.589 -10.311 10.872 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.578 -10.288 9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.645 -10.358 8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.627 -10.306 9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.686 -8.126 8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.435 -8.050 8.451 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.885 -8.626 11.188 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.166 -6.066 8.765 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.994 -4.783 9.967 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.593 -6.921 12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.237 -5.272 12.261 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.351 -11.971 7.692 1.00 0.00 N ATOM 1075 CA GLU A 67 -13.908 -12.358 6.392 1.00 0.00 C ATOM 1076 C GLU A 67 -12.646 -11.586 6.204 1.00 0.00 C ATOM 1077 O GLU A 67 -12.674 -10.381 5.953 1.00 0.00 O ATOM 1078 CB GLU A 67 -14.911 -12.020 5.269 1.00 0.00 C ATOM 1079 CG GLU A 67 -14.482 -12.529 3.886 1.00 0.00 C ATOM 1080 CD GLU A 67 -15.623 -12.262 2.914 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -15.966 -11.066 2.717 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -16.165 -13.251 2.355 1.00 0.00 O ATOM 0 H GLU A 67 -14.026 -11.047 7.977 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.785 -13.439 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.881 -12.449 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.042 -10.939 5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.575 -12.022 3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.256 -13.595 3.925 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.513 -12.310 6.346 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.133 -11.884 6.220 1.00 0.00 C ATOM 1091 C ASN A 68 -9.726 -10.834 7.218 1.00 0.00 C ATOM 1092 O ASN A 68 -8.842 -10.020 6.954 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.601 -11.593 4.781 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.306 -10.458 4.019 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.235 -10.712 3.243 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -9.826 -9.195 4.220 1.00 0.00 N ATOM 0 H ASN A 68 -11.566 -13.303 6.574 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.605 -12.800 6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.540 -11.354 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.685 -12.506 4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.236 -8.408 3.718 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.057 -9.039 4.872 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.344 -10.866 8.417 1.00 0.00 N ATOM 1104 CA LEU A 69 -9.938 -10.043 9.517 1.00 0.00 C ATOM 1105 C LEU A 69 -9.463 -11.016 10.530 1.00 0.00 C ATOM 1106 O LEU A 69 -9.634 -12.224 10.370 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.065 -9.194 10.131 1.00 0.00 C ATOM 1108 CG LEU A 69 -11.798 -8.271 9.133 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -12.959 -7.549 9.833 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -10.863 -7.254 8.457 1.00 0.00 C ATOM 0 H LEU A 69 -11.137 -11.473 8.625 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.196 -9.318 9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.794 -9.861 10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.646 -8.582 10.930 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.189 -8.909 8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.468 -6.901 9.119 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.663 -8.284 10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.571 -6.948 10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.437 -6.635 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.403 -6.621 9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.085 -7.784 7.907 1.00 0.00 H new ATOM 1122 N ARG A 70 -8.830 -10.505 11.598 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.235 -11.357 12.582 1.00 0.00 C ATOM 1124 C ARG A 70 -8.370 -10.643 13.875 1.00 0.00 C ATOM 1125 O ARG A 70 -7.793 -9.571 14.062 1.00 0.00 O ATOM 1126 CB ARG A 70 -6.729 -11.585 12.371 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.357 -12.683 11.367 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.611 -14.083 11.928 1.00 0.00 C ATOM 1129 NE ARG A 70 -5.926 -15.081 11.063 1.00 0.00 N ATOM 1130 CZ ARG A 70 -5.752 -16.363 11.498 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.267 -16.763 12.696 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -5.050 -17.250 10.734 1.00 0.00 N ATOM 0 H ARG A 70 -8.729 -9.507 11.782 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.729 -12.327 12.533 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.281 -10.648 12.039 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.279 -11.830 13.333 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.935 -12.549 10.452 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.305 -12.586 11.097 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.239 -14.152 12.950 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.681 -14.286 11.963 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.585 -14.806 10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.787 -16.102 13.274 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.133 -17.723 13.014 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.657 -16.954 9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.918 -18.209 11.057 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.137 -11.253 14.798 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.358 -10.690 16.093 1.00 0.00 C ATOM 1148 C ILE A 71 -8.323 -11.302 16.981 1.00 0.00 C ATOM 1149 O ILE A 71 -8.042 -12.494 16.892 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.783 -10.902 16.586 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.094 -10.042 17.827 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.107 -12.394 16.811 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.599 -9.922 18.087 1.00 0.00 C ATOM 0 H ILE A 71 -9.608 -12.145 14.644 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.256 -9.605 16.079 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.447 -10.560 15.792 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.610 -10.479 18.700 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.670 -9.047 17.693 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.134 -12.494 17.162 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -10.989 -12.937 15.873 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.427 -12.806 17.557 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.768 -9.307 18.971 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.081 -9.459 17.226 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.020 -10.914 18.249 1.00 0.00 H new ATOM 1165 N SER A 72 -7.702 -10.471 17.836 1.00 0.00 N ATOM 1166 CA SER A 72 -6.592 -10.912 18.638 1.00 0.00 C ATOM 1167 C SER A 72 -7.016 -11.607 19.895 1.00 0.00 C ATOM 1168 O SER A 72 -8.145 -11.460 20.361 1.00 0.00 O ATOM 1169 CB SER A 72 -5.688 -9.751 19.068 1.00 0.00 C ATOM 1170 OG SER A 72 -6.373 -8.836 19.894 1.00 0.00 O ATOM 0 H SER A 72 -7.964 -9.495 17.976 1.00 0.00 H new ATOM 0 HA SER A 72 -6.055 -11.604 17.989 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.821 -10.143 19.599 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.314 -9.234 18.184 1.00 0.00 H new ATOM 0 HG SER A 72 -5.734 -8.201 20.279 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.063 -12.381 20.468 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.236 -13.044 21.731 1.00 0.00 C ATOM 1178 C LYS A 73 -5.426 -12.330 22.761 1.00 0.00 C ATOM 1179 O LYS A 73 -5.741 -12.397 23.949 1.00 0.00 O ATOM 1180 CB LYS A 73 -5.747 -14.503 21.743 1.00 0.00 C ATOM 1181 CG LYS A 73 -6.646 -15.473 20.966 1.00 0.00 C ATOM 1182 CD LYS A 73 -6.051 -16.886 20.915 1.00 0.00 C ATOM 1183 CE LYS A 73 -6.867 -17.881 20.088 1.00 0.00 C ATOM 1184 NZ LYS A 73 -6.175 -19.186 20.025 1.00 0.00 N ATOM 0 H LYS A 73 -5.152 -12.548 20.041 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.308 -13.035 21.929 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.742 -14.541 21.323 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.674 -14.842 22.776 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.630 -15.510 21.433 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.789 -15.102 19.951 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.043 -16.829 20.503 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.959 -17.266 21.932 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.855 -18.007 20.530 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.015 -17.492 19.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.523 -19.725 19.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.151 -19.032 19.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.363 -19.721 20.897 1.00 0.00 H new ATOM 1198 N SER A 74 -4.351 -11.638 22.329 1.00 0.00 N ATOM 1199 CA SER A 74 -3.493 -10.904 23.197 1.00 0.00 C ATOM 1200 C SER A 74 -3.853 -9.491 22.969 1.00 0.00 C ATOM 1201 O SER A 74 -3.276 -8.823 22.115 1.00 0.00 O ATOM 1202 CB SER A 74 -2.003 -11.039 22.873 1.00 0.00 C ATOM 1203 OG SER A 74 -1.477 -12.216 23.467 1.00 0.00 O ATOM 0 H SER A 74 -4.076 -11.592 21.348 1.00 0.00 H new ATOM 0 HA SER A 74 -3.625 -11.273 24.214 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.860 -11.073 21.793 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.463 -10.166 23.239 1.00 0.00 H new ATOM 0 HG SER A 74 -1.599 -12.973 22.857 1.00 0.00 H new ATOM 1209 N SER A 75 -4.837 -9.055 23.766 1.00 0.00 N ATOM 1210 CA SER A 75 -5.299 -7.702 23.917 1.00 0.00 C ATOM 1211 C SER A 75 -4.168 -6.748 24.155 1.00 0.00 C ATOM 1212 O SER A 75 -3.300 -6.965 25.000 1.00 0.00 O ATOM 1213 CB SER A 75 -6.299 -7.568 25.074 1.00 0.00 C ATOM 1214 OG SER A 75 -5.787 -8.196 26.240 1.00 0.00 O ATOM 0 H SER A 75 -5.359 -9.701 24.359 1.00 0.00 H new ATOM 0 HA SER A 75 -5.793 -7.449 22.979 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.494 -6.515 25.275 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.251 -8.021 24.796 1.00 0.00 H new ATOM 0 HG SER A 75 -5.528 -7.512 26.893 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.170 -5.665 23.353 1.00 0.00 N ATOM 1221 CA PHE A 76 -3.080 -4.734 23.278 1.00 0.00 C ATOM 1222 C PHE A 76 -3.509 -3.521 24.005 1.00 0.00 C ATOM 1223 O PHE A 76 -4.705 -3.259 24.134 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.767 -4.266 21.840 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.278 -5.388 20.985 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.201 -6.234 20.412 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.931 -5.572 20.702 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.801 -7.273 19.618 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.515 -6.624 19.900 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.461 -7.489 19.385 1.00 0.00 C ATOM 0 H PHE A 76 -4.950 -5.429 22.740 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.197 -5.230 23.681 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.664 -3.834 21.395 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.015 -3.478 21.870 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.254 -6.075 20.592 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.201 -4.889 21.110 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.537 -7.926 19.173 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.533 -6.765 19.681 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.148 -8.339 18.797 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.510 -2.743 24.479 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.789 -1.490 25.099 1.00 0.00 C ATOM 1242 C GLN A 77 -3.046 -0.519 24.026 1.00 0.00 C ATOM 1243 O GLN A 77 -2.513 -0.634 22.928 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.708 -0.944 26.054 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.994 -1.948 26.958 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.471 -1.141 28.141 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.562 -0.466 28.068 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.259 -1.210 29.259 1.00 0.00 N ATOM 0 H GLN A 77 -1.520 -2.985 24.430 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.649 -1.652 25.749 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.953 -0.436 25.453 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.171 -0.189 26.689 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.677 -2.731 27.289 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.178 -2.440 26.429 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.100 -1.786 29.255 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.004 -0.685 30.096 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.922 0.451 24.321 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.468 1.280 23.300 1.00 0.00 C ATOM 1259 C VAL A 78 -4.613 2.626 23.940 1.00 0.00 C ATOM 1260 O VAL A 78 -4.868 2.733 25.136 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.791 0.673 22.845 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.920 1.692 22.612 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.484 -0.161 21.590 1.00 0.00 C ATOM 0 H VAL A 78 -4.252 0.661 25.263 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.853 1.366 22.404 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.191 0.052 23.647 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.821 1.170 22.291 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.122 2.229 23.539 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.617 2.400 21.841 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.403 -0.619 21.224 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.067 0.485 20.817 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.764 -0.941 21.839 1.00 0.00 H new ATOM 1273 N THR A 79 -4.442 3.704 23.151 1.00 0.00 N ATOM 1274 CA THR A 79 -4.817 5.015 23.589 1.00 0.00 C ATOM 1275 C THR A 79 -5.540 5.563 22.407 1.00 0.00 C ATOM 1276 O THR A 79 -4.922 6.003 21.438 1.00 0.00 O ATOM 1277 CB THR A 79 -3.655 5.896 23.990 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.978 5.319 25.095 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.141 7.282 24.434 1.00 0.00 C ATOM 0 H THR A 79 -4.045 3.668 22.212 1.00 0.00 H new ATOM 0 HA THR A 79 -5.413 4.977 24.501 1.00 0.00 H new ATOM 0 HB THR A 79 -3.000 5.989 23.124 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.362 4.627 24.776 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.285 7.894 24.717 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.674 7.761 23.613 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.810 7.177 25.288 1.00 0.00 H new ATOM 1287 N THR A 80 -6.886 5.515 22.472 1.00 0.00 N ATOM 1288 CA THR A 80 -7.738 5.951 21.406 1.00 0.00 C ATOM 1289 C THR A 80 -7.998 7.397 21.647 1.00 0.00 C ATOM 1290 O THR A 80 -8.782 7.761 22.520 1.00 0.00 O ATOM 1291 CB THR A 80 -9.057 5.219 21.372 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.821 3.829 21.237 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.928 5.692 20.193 1.00 0.00 C ATOM 0 H THR A 80 -7.393 5.165 23.285 1.00 0.00 H new ATOM 0 HA THR A 80 -7.248 5.755 20.452 1.00 0.00 H new ATOM 0 HB THR A 80 -9.585 5.429 22.302 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.458 3.644 20.346 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.871 5.146 20.196 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.126 6.759 20.292 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.404 5.506 19.256 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.328 8.252 20.858 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.426 9.662 21.032 1.00 0.00 C ATOM 1303 C CYS A 81 -8.488 10.148 20.128 1.00 0.00 C ATOM 1304 O CYS A 81 -8.423 9.945 18.916 1.00 0.00 O ATOM 1305 CB CYS A 81 -6.130 10.365 20.663 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.745 9.441 21.339 1.00 0.00 S ATOM 0 H CYS A 81 -6.715 7.963 20.096 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.643 9.875 22.079 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.039 10.440 19.579 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.130 11.382 21.054 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.495 10.805 20.724 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.613 11.281 19.981 1.00 0.00 C ATOM 1313 C LYS A 82 -10.408 12.758 19.929 1.00 0.00 C ATOM 1314 O LYS A 82 -10.103 13.389 20.939 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.953 10.908 20.658 1.00 0.00 C ATOM 1316 CG LYS A 82 -13.202 11.122 19.787 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.943 12.446 20.030 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.099 12.677 19.051 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.592 12.796 17.667 1.00 0.00 N ATOM 0 H LYS A 82 -9.534 11.006 21.723 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.673 10.836 18.988 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.912 9.861 20.958 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.059 11.496 21.569 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.908 11.075 18.738 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.894 10.298 19.962 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.330 12.457 21.049 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.236 13.271 19.949 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.808 11.851 19.115 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.640 13.583 19.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.328 13.214 17.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.749 13.404 17.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.343 11.853 17.306 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.561 13.320 18.719 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.296 14.689 18.400 1.00 0.00 C ATOM 1335 C LEU A 83 -11.426 15.531 18.894 1.00 0.00 C ATOM 1336 O LEU A 83 -12.566 15.408 18.451 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.215 14.754 16.860 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.865 16.056 16.112 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -11.090 16.856 15.641 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.839 16.952 16.803 1.00 0.00 C ATOM 0 H LEU A 83 -10.890 12.787 17.914 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.376 15.052 18.859 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.481 14.009 16.553 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.182 14.425 16.481 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.366 15.684 15.217 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.759 17.757 15.124 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.684 16.245 14.961 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.696 17.134 16.503 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.664 17.840 16.196 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.217 17.250 17.781 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.904 16.406 16.926 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.085 16.425 19.837 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.986 17.365 20.428 1.00 0.00 C ATOM 1354 C HIS A 84 -11.520 18.702 19.941 1.00 0.00 C ATOM 1355 O HIS A 84 -10.343 18.891 19.644 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.904 17.271 21.967 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.143 18.540 22.728 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -13.371 19.119 22.904 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -11.238 19.318 23.362 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -13.208 20.227 23.616 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -11.921 20.371 23.906 1.00 0.00 N ATOM 0 H HIS A 84 -10.136 16.496 20.205 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.026 17.182 20.158 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.630 16.530 22.303 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.917 16.894 22.234 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.175 19.141 23.427 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.996 20.903 23.912 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.511 21.136 24.443 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.452 19.668 19.851 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.113 20.996 19.438 1.00 0.00 C ATOM 1372 C GLY A 85 -13.232 21.456 18.581 1.00 0.00 C ATOM 1373 O GLY A 85 -14.263 21.910 19.076 1.00 0.00 O ATOM 0 H GLY A 85 -13.440 19.530 20.064 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.986 21.652 20.299 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.172 21.005 18.889 1.00 0.00 H new ATOM 1377 N GLY A 86 -13.038 21.342 17.255 1.00 0.00 N ATOM 1378 CA GLY A 86 -14.023 21.782 16.316 1.00 0.00 C ATOM 1379 C GLY A 86 -13.283 22.262 15.118 1.00 0.00 C ATOM 1380 O GLY A 86 -13.861 22.376 14.037 1.00 0.00 O ATOM 0 H GLY A 86 -12.199 20.945 16.833 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.699 20.968 16.054 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.633 22.579 16.740 1.00 0.00 H new ATOM 1384 N SER A 87 -11.980 22.560 15.301 1.00 0.00 N ATOM 1385 CA SER A 87 -11.142 23.013 14.228 1.00 0.00 C ATOM 1386 C SER A 87 -10.637 21.785 13.518 1.00 0.00 C ATOM 1387 O SER A 87 -10.133 20.892 14.199 1.00 0.00 O ATOM 1388 CB SER A 87 -9.917 23.798 14.729 1.00 0.00 C ATOM 1389 OG SER A 87 -9.191 24.323 13.627 1.00 0.00 O ATOM 0 H SER A 87 -11.504 22.486 16.200 1.00 0.00 H new ATOM 0 HA SER A 87 -11.725 23.674 13.587 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.237 24.609 15.383 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.274 23.146 15.321 1.00 0.00 H new ATOM 0 HG SER A 87 -8.392 23.778 13.472 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.725 21.668 12.195 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.233 20.512 11.499 1.00 0.00 C ATOM 1397 C PRO A 88 -8.760 20.687 11.279 1.00 0.00 C ATOM 1398 O PRO A 88 -8.093 19.686 11.039 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.970 20.504 10.156 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.443 21.945 9.946 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.602 22.480 11.368 1.00 0.00 C ATOM 0 HA PRO A 88 -10.394 19.583 12.045 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.312 20.184 9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.812 19.812 10.174 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.717 22.527 9.377 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.383 21.983 9.396 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.327 23.533 11.423 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.637 22.403 11.702 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.241 21.929 11.325 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.867 22.209 11.042 1.00 0.00 C ATOM 1411 C TRP A 89 -6.137 22.270 12.351 1.00 0.00 C ATOM 1412 O TRP A 89 -6.797 22.459 13.373 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.733 23.554 10.311 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.489 23.536 9.006 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -8.664 24.151 8.691 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.115 22.753 7.859 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.036 23.821 7.411 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.096 22.958 6.888 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.053 21.921 7.635 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.025 22.338 5.674 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -5.985 21.292 6.409 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -6.955 21.497 5.445 1.00 0.00 C ATOM 0 H TRP A 89 -8.789 22.756 11.564 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.450 21.432 10.401 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.112 24.356 10.944 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.681 23.767 10.123 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.220 24.801 9.350 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -9.869 24.158 6.928 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.296 21.762 8.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -8.780 22.500 4.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.160 20.628 6.198 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -6.874 20.989 4.495 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.816 22.118 12.392 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.084 22.088 13.629 1.00 0.00 C ATOM 1435 C PRO A 90 -3.988 23.515 14.128 1.00 0.00 C ATOM 1436 O PRO A 90 -3.919 24.400 13.274 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.702 21.528 13.269 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.584 21.683 11.751 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.034 21.608 11.280 1.00 0.00 C ATOM 0 HA PRO A 90 -4.546 21.481 14.407 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.911 22.074 13.782 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.612 20.483 13.565 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.120 22.631 11.478 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.976 20.892 11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.189 22.205 10.382 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.317 20.584 11.035 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.960 23.830 15.415 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.750 22.920 16.509 1.00 0.00 C ATOM 1449 C PRO A 91 -5.070 22.321 16.876 1.00 0.00 C ATOM 1450 O PRO A 91 -6.122 22.802 16.454 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.256 23.791 17.656 1.00 0.00 C ATOM 1452 CG PRO A 91 -3.847 25.166 17.352 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.831 25.213 15.824 1.00 0.00 C ATOM 0 HA PRO A 91 -3.049 22.120 16.272 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.597 23.414 18.620 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.167 23.823 17.693 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.857 25.269 17.749 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.250 25.968 17.787 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.650 25.819 15.437 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.906 25.652 15.450 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.993 21.235 17.657 1.00 0.00 N ATOM 1462 CA CYS A 92 -6.100 20.350 17.864 1.00 0.00 C ATOM 1463 C CYS A 92 -5.881 19.682 19.176 1.00 0.00 C ATOM 1464 O CYS A 92 -4.799 19.158 19.434 1.00 0.00 O ATOM 1465 CB CYS A 92 -6.159 19.246 16.791 1.00 0.00 C ATOM 1466 SG CYS A 92 -7.030 19.802 15.292 1.00 0.00 S ATOM 0 H CYS A 92 -4.147 20.962 18.157 1.00 0.00 H new ATOM 0 HA CYS A 92 -7.025 20.925 17.822 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.146 18.939 16.530 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.662 18.369 17.199 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.926 19.695 20.031 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.863 19.138 21.355 1.00 0.00 C ATOM 1473 C GLN A 93 -7.334 17.722 21.314 1.00 0.00 C ATOM 1474 O GLN A 93 -8.532 17.462 21.264 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.791 19.857 22.348 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.385 21.305 22.630 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.471 21.925 23.509 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -9.189 22.835 23.080 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.585 21.404 24.769 1.00 0.00 N ATOM 0 H GLN A 93 -7.833 20.100 19.799 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.828 19.239 21.680 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.808 19.844 21.956 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -7.804 19.303 23.287 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.418 21.341 23.132 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.281 21.862 21.699 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.964 20.653 25.068 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.291 21.767 25.409 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.396 16.762 21.360 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.751 15.374 21.381 1.00 0.00 C ATOM 1490 C TYR A 94 -7.006 14.969 22.793 1.00 0.00 C ATOM 1491 O TYR A 94 -6.119 15.065 23.639 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.604 14.489 20.893 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.625 14.539 19.415 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.565 13.782 18.750 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.751 15.337 18.700 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.642 13.826 17.378 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.851 15.408 17.326 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.787 14.640 16.670 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.870 14.658 15.269 1.00 0.00 O ATOM 0 H TYR A 94 -5.393 16.943 21.383 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.621 15.250 20.736 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.649 14.846 21.278 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.728 13.466 21.247 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.243 13.153 19.308 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.991 15.904 19.217 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.371 13.223 16.857 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.198 16.063 16.768 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.662 14.157 14.982 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.237 14.485 23.059 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.585 13.937 24.340 1.00 0.00 C ATOM 1511 C ARG A 95 -8.339 12.469 24.280 1.00 0.00 C ATOM 1512 O ARG A 95 -9.030 11.747 23.564 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.059 14.146 24.723 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.374 15.599 25.098 1.00 0.00 C ATOM 1515 CD ARG A 95 -11.830 15.794 25.522 1.00 0.00 C ATOM 1516 NE ARG A 95 -11.994 17.218 25.933 1.00 0.00 N ATOM 1517 CZ ARG A 95 -13.189 17.668 26.416 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -14.259 16.825 26.506 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -13.314 18.970 26.807 1.00 0.00 N ATOM 0 H ARG A 95 -8.998 14.473 22.380 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.981 14.450 25.088 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.693 13.845 23.889 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.307 13.497 25.562 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.718 15.911 25.910 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.157 16.245 24.247 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.504 15.553 24.700 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.081 15.126 26.346 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.207 17.861 25.853 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.168 15.853 26.212 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.149 17.167 26.868 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.517 19.602 26.738 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.205 19.311 27.168 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.334 12.008 25.052 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.939 10.630 25.064 1.00 0.00 C ATOM 1535 C ALA A 96 -7.862 9.841 25.933 1.00 0.00 C ATOM 1536 O ALA A 96 -8.122 10.217 27.076 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.536 10.440 25.648 1.00 0.00 C ATOM 0 H ALA A 96 -6.788 12.601 25.677 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.963 10.295 24.027 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.278 9.381 25.638 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.814 10.995 25.049 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.516 10.808 26.674 1.00 0.00 H new ATOM 1543 N THR A 97 -8.361 8.710 25.391 1.00 0.00 N ATOM 1544 CA THR A 97 -9.187 7.795 26.124 1.00 0.00 C ATOM 1545 C THR A 97 -8.413 6.519 26.123 1.00 0.00 C ATOM 1546 O THR A 97 -8.290 5.866 25.090 1.00 0.00 O ATOM 1547 CB THR A 97 -10.541 7.577 25.488 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.170 8.833 25.281 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.433 6.710 26.396 1.00 0.00 C ATOM 0 H THR A 97 -8.187 8.427 24.427 1.00 0.00 H new ATOM 0 HA THR A 97 -9.400 8.181 27.121 1.00 0.00 H new ATOM 0 HB THR A 97 -10.402 7.064 24.536 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.048 8.695 24.867 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.403 6.564 25.921 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.958 5.742 26.555 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.570 7.209 27.355 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.865 6.148 27.297 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.066 4.963 27.427 1.00 0.00 C ATOM 1559 C ALA A 98 -7.966 3.768 27.476 1.00 0.00 C ATOM 1560 O ALA A 98 -8.914 3.727 28.258 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.234 4.955 28.715 1.00 0.00 C ATOM 0 H ALA A 98 -7.976 6.673 28.164 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.392 4.939 26.571 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.648 4.037 28.764 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.563 5.814 28.720 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.898 5.008 29.578 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.664 2.765 26.626 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.416 1.544 26.581 1.00 0.00 C ATOM 1569 C GLY A 99 -7.413 0.446 26.535 1.00 0.00 C ATOM 1570 O GLY A 99 -6.227 0.684 26.350 1.00 0.00 O ATOM 0 H GLY A 99 -6.890 2.801 25.963 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.059 1.449 27.456 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.064 1.517 25.705 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.863 -0.804 26.705 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.971 -1.922 26.643 1.00 0.00 C ATOM 1576 C PHE A 100 -7.868 -2.988 26.113 1.00 0.00 C ATOM 1577 O PHE A 100 -8.751 -3.468 26.822 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.373 -2.271 28.029 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.546 -3.513 27.989 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.240 -3.491 27.535 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -6.069 -4.697 28.476 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.502 -4.658 27.502 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.320 -5.855 28.473 1.00 0.00 C ATOM 1584 CZ PHE A 100 -4.036 -5.838 27.973 1.00 0.00 C ATOM 0 H PHE A 100 -8.838 -1.045 26.885 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.086 -1.754 26.029 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.761 -1.440 28.378 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.181 -2.397 28.750 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.798 -2.562 27.207 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.077 -4.715 28.864 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.498 -4.646 27.104 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.738 -6.772 28.861 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.451 -6.745 27.950 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.691 -3.344 24.821 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.668 -4.168 24.167 1.00 0.00 C ATOM 1596 C ARG A 101 -8.030 -4.963 23.079 1.00 0.00 C ATOM 1597 O ARG A 101 -6.967 -4.622 22.563 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.854 -3.392 23.545 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.468 -2.259 22.577 1.00 0.00 C ATOM 1600 CD ARG A 101 -10.305 -2.259 21.289 1.00 0.00 C ATOM 1601 NE ARG A 101 -11.762 -2.124 21.597 1.00 0.00 N ATOM 1602 CZ ARG A 101 -12.365 -0.910 21.765 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -11.641 0.246 21.738 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -13.717 -0.852 21.952 1.00 0.00 N ATOM 0 H ARG A 101 -6.895 -3.070 24.244 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.068 -4.802 24.958 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.490 -4.100 23.014 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.452 -2.969 24.352 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.588 -1.300 23.082 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.413 -2.353 22.318 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -9.988 -1.439 20.645 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.130 -3.183 20.737 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.326 -2.969 21.685 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -10.632 0.213 21.590 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.108 1.144 21.865 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.267 -1.711 21.965 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.176 0.050 22.078 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.723 -6.061 22.720 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.363 -6.934 21.647 1.00 0.00 C ATOM 1620 C ASN A 102 -8.789 -6.299 20.361 1.00 0.00 C ATOM 1621 O ASN A 102 -9.918 -5.836 20.207 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.952 -8.358 21.804 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.471 -8.375 22.016 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -11.024 -7.824 22.975 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.154 -9.098 21.079 1.00 0.00 N ATOM 0 H ASN A 102 -9.574 -6.352 23.202 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.282 -7.071 21.656 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.711 -8.942 20.915 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.470 -8.850 22.649 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.166 -9.202 21.153 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.652 -9.534 20.306 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.824 -6.248 19.423 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.923 -5.489 18.211 1.00 0.00 C ATOM 1634 C VAL A 103 -8.351 -6.401 17.107 1.00 0.00 C ATOM 1635 O VAL A 103 -8.003 -7.579 17.104 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.615 -4.811 17.840 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -6.303 -3.759 18.922 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.464 -5.832 17.723 1.00 0.00 C ATOM 0 H VAL A 103 -6.942 -6.753 19.511 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.657 -4.698 18.368 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.713 -4.334 16.865 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.367 -3.255 18.681 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.109 -3.027 18.961 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.212 -4.250 19.891 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.543 -5.313 17.456 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.331 -6.341 18.678 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.704 -6.564 16.952 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.110 -5.855 16.131 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.471 -6.579 14.941 1.00 0.00 C ATOM 1650 C VAL A 104 -8.628 -5.976 13.862 1.00 0.00 C ATOM 1651 O VAL A 104 -9.012 -4.984 13.245 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.942 -6.442 14.575 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.257 -7.085 13.209 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.763 -7.159 15.656 1.00 0.00 C ATOM 0 H VAL A 104 -9.477 -4.904 16.167 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.308 -7.647 15.085 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.189 -5.382 14.511 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.317 -6.965 12.986 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.666 -6.599 12.433 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.011 -8.146 13.241 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.824 -7.078 15.421 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.479 -8.211 15.691 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.570 -6.698 16.625 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.442 -6.569 13.618 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.538 -6.059 12.616 1.00 0.00 C ATOM 1666 C VAL A 105 -6.866 -6.828 11.362 1.00 0.00 C ATOM 1667 O VAL A 105 -7.123 -8.029 11.425 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.070 -6.135 12.978 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.822 -5.192 14.168 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.592 -7.549 13.339 1.00 0.00 C ATOM 0 H VAL A 105 -7.106 -7.397 14.109 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.685 -4.986 12.497 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.501 -5.840 12.097 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.769 -5.229 14.448 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.087 -4.173 13.886 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.434 -5.505 15.014 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.531 -7.522 13.586 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.155 -7.916 14.197 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.750 -8.214 12.490 1.00 0.00 H new ATOM 1680 N ALA A 106 -6.888 -6.148 10.193 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.178 -6.792 8.936 1.00 0.00 C ATOM 1682 C ALA A 106 -5.926 -7.430 8.448 1.00 0.00 C ATOM 1683 O ALA A 106 -4.907 -6.753 8.345 1.00 0.00 O ATOM 1684 CB ALA A 106 -7.638 -5.842 7.826 1.00 0.00 C ATOM 0 H ALA A 106 -6.704 -5.148 10.117 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.991 -7.491 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.834 -6.412 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.550 -5.332 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -6.859 -5.105 7.632 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.991 -8.745 8.142 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.833 -9.498 7.751 1.00 0.00 C ATOM 1692 C CYS A 107 -4.891 -9.828 6.299 1.00 0.00 C ATOM 1693 O CYS A 107 -5.923 -10.252 5.782 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.687 -10.816 8.528 1.00 0.00 C ATOM 1695 SG CYS A 107 -3.245 -11.772 8.012 1.00 0.00 S ATOM 0 H CYS A 107 -6.854 -9.289 8.166 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.975 -8.864 7.976 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.612 -10.599 9.593 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.585 -11.417 8.388 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.736 -9.652 5.627 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.536 -10.094 4.283 1.00 0.00 C ATOM 1702 C GLU A 108 -2.167 -10.686 4.316 1.00 0.00 C ATOM 1703 O GLU A 108 -1.265 -10.113 4.923 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.565 -8.932 3.271 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.467 -9.360 1.803 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.654 -8.111 0.953 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.847 -7.157 1.115 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.612 -8.093 0.135 1.00 0.00 O ATOM 0 H GLU A 108 -2.921 -9.190 6.031 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.320 -10.782 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.488 -8.369 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.741 -8.254 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.500 -9.821 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.229 -10.103 1.568 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.986 -11.854 3.657 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.738 -12.569 3.473 1.00 0.00 C ATOM 1717 C ASN A 109 -0.034 -13.010 4.732 1.00 0.00 C ATOM 1718 O ASN A 109 1.184 -13.193 4.731 1.00 0.00 O ATOM 1719 CB ASN A 109 0.279 -11.937 2.474 1.00 0.00 C ATOM 1720 CG ASN A 109 0.838 -10.550 2.841 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.678 -10.393 3.734 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.360 -9.517 2.080 1.00 0.00 N ATOM 0 H ASN A 109 -2.769 -12.339 3.218 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.122 -13.470 2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.118 -12.624 2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.203 -11.863 1.499 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.697 -8.568 2.239 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.334 -9.697 1.354 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.783 -13.222 5.836 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.208 -13.693 7.063 1.00 0.00 C ATOM 1731 C GLY A 110 0.409 -12.562 7.828 1.00 0.00 C ATOM 1732 O GLY A 110 1.288 -12.791 8.657 1.00 0.00 O ATOM 0 H GLY A 110 -1.790 -13.066 5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.976 -14.172 7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.548 -14.449 6.850 1.00 0.00 H new ATOM 1736 N LEU A 111 -0.042 -11.315 7.563 1.00 0.00 N ATOM 1737 CA LEU A 111 0.545 -10.174 8.210 1.00 0.00 C ATOM 1738 C LEU A 111 -0.546 -9.137 8.327 1.00 0.00 C ATOM 1739 O LEU A 111 -1.248 -8.940 7.341 1.00 0.00 O ATOM 1740 CB LEU A 111 1.779 -9.705 7.408 1.00 0.00 C ATOM 1741 CG LEU A 111 2.165 -8.219 7.413 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.684 -8.074 7.617 1.00 0.00 C ATOM 1743 CD2 LEU A 111 1.697 -7.565 6.103 1.00 0.00 C ATOM 0 H LEU A 111 -0.798 -11.100 6.914 1.00 0.00 H new ATOM 0 HA LEU A 111 0.918 -10.394 9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.639 -10.267 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.624 -9.999 6.370 1.00 0.00 H new ATOM 0 HG LEU A 111 1.673 -7.707 8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.952 -7.017 7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.968 -8.522 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.210 -8.579 6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.970 -6.510 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.174 -8.062 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.615 -7.659 6.016 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.755 -8.449 9.442 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.840 -7.507 9.529 1.00 0.00 C ATOM 1757 C PRO A 112 -1.500 -6.234 8.827 1.00 0.00 C ATOM 1758 O PRO A 112 -0.657 -5.489 9.309 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.024 -7.264 11.010 1.00 0.00 C ATOM 1760 CG PRO A 112 -1.603 -8.591 11.617 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.395 -8.943 10.761 1.00 0.00 C ATOM 0 HA PRO A 112 -2.746 -7.885 9.056 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.405 -6.441 11.366 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.057 -7.015 11.255 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.345 -8.497 12.672 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -2.389 -9.343 11.547 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.512 -8.467 11.133 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.211 -10.017 10.750 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.185 -5.961 7.707 1.00 0.00 N ATOM 1770 CA VAL A 113 -1.902 -4.841 6.863 1.00 0.00 C ATOM 1771 C VAL A 113 -2.620 -3.615 7.315 1.00 0.00 C ATOM 1772 O VAL A 113 -2.177 -2.506 7.026 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.306 -5.074 5.427 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.138 -5.752 4.704 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.570 -5.952 5.353 1.00 0.00 C ATOM 0 H VAL A 113 -2.960 -6.535 7.376 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.822 -4.710 6.929 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.539 -4.122 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.408 -5.930 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.260 -5.107 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.913 -6.702 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.844 -6.108 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.372 -6.915 5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.389 -5.455 5.873 1.00 0.00 H new ATOM 1785 N HIS A 114 -3.769 -3.778 7.995 1.00 0.00 N ATOM 1786 CA HIS A 114 -4.607 -2.652 8.298 1.00 0.00 C ATOM 1787 C HIS A 114 -5.226 -2.953 9.612 1.00 0.00 C ATOM 1788 O HIS A 114 -4.861 -3.929 10.262 1.00 0.00 O ATOM 1789 CB HIS A 114 -5.769 -2.464 7.309 1.00 0.00 C ATOM 1790 CG HIS A 114 -5.403 -2.577 5.878 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -5.674 -3.624 5.089 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -4.768 -1.636 5.117 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -5.205 -3.326 3.841 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -4.660 -2.115 3.884 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.117 -4.675 8.333 1.00 0.00 H new ATOM 0 HA HIS A 114 -3.993 -1.752 8.265 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.537 -3.205 7.531 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.214 -1.483 7.478 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -6.144 -4.485 5.368 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -4.417 -0.674 5.458 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -5.266 -3.963 2.971 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.191 -2.105 10.016 1.00 0.00 N ATOM 1804 CA LEU A 115 -6.929 -2.266 11.230 1.00 0.00 C ATOM 1805 C LEU A 115 -8.116 -1.392 11.048 1.00 0.00 C ATOM 1806 O LEU A 115 -8.007 -0.238 10.636 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.036 -1.872 12.418 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.564 -1.509 13.827 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.667 0.015 13.940 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.678 -2.410 14.382 1.00 0.00 C ATOM 0 H LEU A 115 -6.465 -1.282 9.480 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.247 -3.287 11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.340 -2.699 12.560 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.450 -1.015 12.085 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.839 -1.789 14.591 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.038 0.282 14.929 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.683 0.458 13.790 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.354 0.391 13.181 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.968 -2.061 15.373 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.541 -2.373 13.717 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.316 -3.436 14.450 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.287 -1.980 11.354 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.560 -1.346 11.264 1.00 0.00 C ATOM 1824 C ASP A 116 -10.713 -0.384 12.393 1.00 0.00 C ATOM 1825 O ASP A 116 -10.427 -0.703 13.547 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.680 -2.385 11.403 1.00 0.00 C ATOM 1827 CG ASP A 116 -11.491 -3.415 10.300 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -11.610 -3.037 9.104 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -11.219 -4.597 10.641 1.00 0.00 O ATOM 0 H ASP A 116 -9.345 -2.945 11.680 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.624 -0.841 10.300 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.641 -2.861 12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.657 -1.909 11.319 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.228 0.824 12.076 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.525 1.820 13.068 1.00 0.00 C ATOM 1836 C GLN A 117 -12.995 1.719 13.400 1.00 0.00 C ATOM 1837 O GLN A 117 -13.653 2.736 13.618 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.361 3.268 12.539 1.00 0.00 C ATOM 1839 CG GLN A 117 -9.991 3.609 11.934 1.00 0.00 C ATOM 1840 CD GLN A 117 -8.899 3.466 12.990 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -9.104 4.134 14.164 1.00 0.00 O flip ATOM 1842 NE2 GLN A 117 -7.896 2.784 12.758 1.00 0.00 N flip ATOM 0 H GLN A 117 -11.441 1.113 11.121 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.846 1.641 13.902 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.125 3.447 11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.557 3.958 13.359 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.782 2.948 11.093 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.000 4.627 11.545 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -7.799 2.308 11.861 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -7.164 2.697 13.463 1.00 0.00 H new ATOM 1851 N SER A 118 -13.556 0.489 13.433 1.00 0.00 N ATOM 1852 CA SER A 118 -14.945 0.261 13.717 1.00 0.00 C ATOM 1853 C SER A 118 -15.057 -0.047 15.171 1.00 0.00 C ATOM 1854 O SER A 118 -16.132 0.073 15.758 1.00 0.00 O ATOM 1855 CB SER A 118 -15.540 -0.918 12.928 1.00 0.00 C ATOM 1856 OG SER A 118 -14.820 -2.112 13.197 1.00 0.00 O ATOM 0 H SER A 118 -13.030 -0.367 13.258 1.00 0.00 H new ATOM 0 HA SER A 118 -15.499 1.154 13.427 1.00 0.00 H new ATOM 0 HB2 SER A 118 -16.588 -1.050 13.196 1.00 0.00 H new ATOM 0 HB3 SER A 118 -15.509 -0.701 11.860 1.00 0.00 H new ATOM 0 HG SER A 118 -15.212 -2.852 12.689 1.00 0.00 H new ATOM 1862 N ILE A 119 -13.916 -0.452 15.777 1.00 0.00 N ATOM 1863 CA ILE A 119 -13.834 -0.762 17.173 1.00 0.00 C ATOM 1864 C ILE A 119 -13.411 0.516 17.824 1.00 0.00 C ATOM 1865 O ILE A 119 -13.647 0.744 19.009 1.00 0.00 O ATOM 1866 CB ILE A 119 -12.906 -1.931 17.498 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.428 -1.567 17.735 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -12.984 -2.899 16.311 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -10.506 -2.787 17.828 1.00 0.00 C ATOM 0 H ILE A 119 -13.032 -0.565 15.281 1.00 0.00 H new ATOM 0 HA ILE A 119 -14.794 -1.114 17.549 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.248 -2.352 18.444 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.086 -0.924 16.924 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.347 -0.989 18.656 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.335 -3.755 16.496 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.011 -3.242 16.188 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -12.661 -2.389 15.404 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.481 -2.456 17.995 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -10.823 -3.420 18.657 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -10.557 -3.354 16.898 1.00 0.00 H new ATOM 1881 N PHE A 120 -12.768 1.383 17.007 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.240 2.655 17.400 1.00 0.00 C ATOM 1883 C PHE A 120 -13.078 3.715 16.800 1.00 0.00 C ATOM 1884 O PHE A 120 -12.600 4.759 16.363 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.826 2.855 16.876 1.00 0.00 C ATOM 1886 CG PHE A 120 -9.986 1.781 17.449 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -9.907 1.658 18.823 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.269 0.914 16.648 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.048 0.748 19.397 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.402 0.024 17.229 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.272 -0.063 18.597 1.00 0.00 C ATOM 0 H PHE A 120 -12.611 1.181 16.020 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.234 2.697 18.489 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -10.811 2.814 15.787 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.445 3.835 17.164 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.525 2.281 19.452 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.390 0.937 15.575 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -8.982 0.670 20.472 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.808 -0.623 16.600 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.572 -0.757 19.037 1.00 0.00 H new