USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 885 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: B 72 HIS : no HD1:sc= -1.56 K(o=-4,f=-0.95) USER MOD Set 1.2: B 116 ASN : amide:sc= -2.4 K(o=-4,f=-2.9!) USER MOD Set 2.1: B 54 TYR OH : rot -150:sc= 0.098 USER MOD Set 2.2: B 61 GLN : amide:sc= -3.49! K(o=-3.4!,f=0.41) USER MOD Single : A 9 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.064) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -3.56! K(o=-3.6!,f=-0.73) USER MOD Single : A 27 TYR OH : rot -118:sc= 0.101 USER MOD Single : A 30 SER OG : rot 84:sc= 1.27 USER MOD Single : A 31 GLN : amide:sc= -0.731 X(o=-0.73,f=-0.34) USER MOD Single : A 32 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 178:sc= 1.13 (180deg=1.07) USER MOD Single : B 47 THR OG1 : rot 55:sc= 1.11 USER MOD Single : B 48 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.14) USER MOD Single : B 55 GLN : amide:sc= 0.224 K(o=0.22,f=-1.5!) USER MOD Single : B 56 ASN : amide:sc= 1.22 K(o=1.2,f=-0.034) USER MOD Single : B 57 SER OG : rot -0:sc= -0.605 USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 1.12 K(o=1.1,f=-0.96) USER MOD Single : B 68 THR OG1 : rot 180:sc= -0.0232 USER MOD Single : B 70 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.19) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 97 GLN : amide:sc= -2.38 K(o=-2.4,f=-0.52) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= 0.704 K(o=0.7,f=-0.18) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.667! X(o=-0.67!,f=-0.73) USER MOD Single : B 107 THR OG1 : rot -20:sc= 1.29 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 59:sc= 1.27 USER MOD Single : B 124 GLN : amide:sc= 0.97 K(o=0.97,f=-0.71) USER MOD Single : B 129 LYS NZ :NH3+ -171:sc= 1.41 (180deg=1.4) USER MOD Single : B 131 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 8 10.255 0.488 -7.307 1.00 0.00 N ATOM 104 CA GLU A 8 9.359 1.427 -6.655 1.00 0.00 C ATOM 105 C GLU A 8 8.380 0.673 -5.767 1.00 0.00 C ATOM 106 O GLU A 8 8.140 1.058 -4.624 1.00 0.00 O ATOM 107 CB GLU A 8 8.601 2.251 -7.702 1.00 0.00 C ATOM 108 CG GLU A 8 7.949 1.397 -8.781 1.00 0.00 C ATOM 109 CD GLU A 8 7.223 2.210 -9.828 1.00 0.00 C ATOM 110 OE1 GLU A 8 7.864 2.623 -10.814 1.00 0.00 O ATOM 111 OE2 GLU A 8 6.005 2.418 -9.689 1.00 0.00 O1- ATOM 0 HA GLU A 8 9.945 2.107 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.834 2.843 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.290 2.953 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.714 0.791 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.246 0.708 -8.314 1.00 0.00 H new ATOM 118 N ASN A 9 7.857 -0.433 -6.291 1.00 0.00 N ATOM 119 CA ASN A 9 6.869 -1.233 -5.579 1.00 0.00 C ATOM 120 C ASN A 9 7.451 -1.747 -4.272 1.00 0.00 C ATOM 121 O ASN A 9 6.773 -1.763 -3.252 1.00 0.00 O ATOM 122 CB ASN A 9 6.396 -2.416 -6.431 1.00 0.00 C ATOM 123 CG ASN A 9 5.915 -2.005 -7.809 1.00 0.00 C ATOM 124 OD1 ASN A 9 4.743 -1.681 -8.004 1.00 0.00 O ATOM 125 ND2 ASN A 9 6.817 -2.028 -8.780 1.00 0.00 N ATOM 0 H ASN A 9 8.104 -0.796 -7.212 1.00 0.00 H new ATOM 0 HA ASN A 9 6.012 -0.594 -5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.213 -3.129 -6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.589 -2.931 -5.910 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.550 -1.771 -9.730 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.778 -2.302 -8.577 1.00 0.00 H new ATOM 132 N SER A 10 8.720 -2.143 -4.309 1.00 0.00 N ATOM 133 CA SER A 10 9.409 -2.649 -3.127 1.00 0.00 C ATOM 134 C SER A 10 9.358 -1.640 -1.978 1.00 0.00 C ATOM 135 O SER A 10 9.094 -2.007 -0.832 1.00 0.00 O ATOM 136 CB SER A 10 10.859 -2.983 -3.473 1.00 0.00 C ATOM 137 OG SER A 10 10.924 -3.944 -4.514 1.00 0.00 O ATOM 0 H SER A 10 9.295 -2.123 -5.151 1.00 0.00 H new ATOM 0 HA SER A 10 8.899 -3.555 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.382 -2.076 -3.777 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.369 -3.364 -2.589 1.00 0.00 H new ATOM 0 HG SER A 10 11.862 -4.141 -4.719 1.00 0.00 H new ATOM 143 N GLN A 11 9.592 -0.370 -2.292 1.00 0.00 N ATOM 144 CA GLN A 11 9.554 0.681 -1.285 1.00 0.00 C ATOM 145 C GLN A 11 8.117 0.921 -0.837 1.00 0.00 C ATOM 146 O GLN A 11 7.843 1.120 0.345 1.00 0.00 O ATOM 147 CB GLN A 11 10.153 1.971 -1.836 1.00 0.00 C ATOM 148 CG GLN A 11 11.506 1.781 -2.503 1.00 0.00 C ATOM 149 CD GLN A 11 12.259 3.083 -2.668 1.00 0.00 C ATOM 150 OE1 GLN A 11 12.999 3.272 -3.631 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.096 3.979 -1.713 1.00 0.00 N ATOM 0 H GLN A 11 9.809 -0.045 -3.234 1.00 0.00 H new ATOM 0 HA GLN A 11 10.146 0.363 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.460 2.404 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.256 2.689 -1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.106 1.091 -1.910 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.364 1.321 -3.481 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.472 3.782 -0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.594 4.868 -1.757 1.00 0.00 H new ATOM 160 N LEU A 12 7.209 0.885 -1.805 1.00 0.00 N ATOM 161 CA LEU A 12 5.782 1.058 -1.549 1.00 0.00 C ATOM 162 C LEU A 12 5.266 0.001 -0.574 1.00 0.00 C ATOM 163 O LEU A 12 4.507 0.308 0.343 1.00 0.00 O ATOM 164 CB LEU A 12 5.004 0.969 -2.864 1.00 0.00 C ATOM 165 CG LEU A 12 4.849 2.277 -3.657 1.00 0.00 C ATOM 166 CD1 LEU A 12 6.137 3.087 -3.684 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.408 1.960 -5.070 1.00 0.00 C ATOM 0 H LEU A 12 7.439 0.736 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 12 5.634 2.040 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.498 0.238 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.009 0.581 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 12 4.095 2.884 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.980 4.002 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.428 3.341 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.927 2.499 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.298 2.887 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.155 1.329 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.453 1.435 -5.044 1.00 0.00 H new ATOM 179 N LEU A 13 5.702 -1.238 -0.776 1.00 0.00 N ATOM 180 CA LEU A 13 5.249 -2.367 0.032 1.00 0.00 C ATOM 181 C LEU A 13 5.556 -2.165 1.508 1.00 0.00 C ATOM 182 O LEU A 13 4.671 -2.287 2.353 1.00 0.00 O ATOM 183 CB LEU A 13 5.907 -3.662 -0.443 1.00 0.00 C ATOM 184 CG LEU A 13 5.635 -4.041 -1.896 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.308 -5.358 -2.234 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.140 -4.110 -2.167 1.00 0.00 C ATOM 0 H LEU A 13 6.376 -1.488 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 13 4.168 -2.434 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.985 -3.574 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.569 -4.477 0.197 1.00 0.00 H new ATOM 0 HG LEU A 13 6.055 -3.267 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.104 -5.614 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.384 -5.265 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.920 -6.142 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.971 -4.382 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.687 -4.860 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.689 -3.138 -1.968 1.00 0.00 H new ATOM 198 N ASP A 14 6.809 -1.858 1.818 1.00 0.00 N ATOM 199 CA ASP A 14 7.228 -1.724 3.208 1.00 0.00 C ATOM 200 C ASP A 14 6.596 -0.484 3.833 1.00 0.00 C ATOM 201 O ASP A 14 6.332 -0.439 5.033 1.00 0.00 O ATOM 202 CB ASP A 14 8.753 -1.661 3.306 1.00 0.00 C ATOM 203 CG ASP A 14 9.254 -2.033 4.685 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.270 -3.243 5.005 1.00 0.00 O1- ATOM 205 OD2 ASP A 14 9.639 -1.131 5.451 1.00 0.00 O ATOM 0 H ASP A 14 7.548 -1.698 1.133 1.00 0.00 H new ATOM 0 HA ASP A 14 6.888 -2.600 3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.191 -2.334 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.090 -0.654 3.058 1.00 0.00 H new ATOM 210 N PHE A 15 6.331 0.505 2.990 1.00 0.00 N ATOM 211 CA PHE A 15 5.650 1.727 3.400 1.00 0.00 C ATOM 212 C PHE A 15 4.239 1.402 3.885 1.00 0.00 C ATOM 213 O PHE A 15 3.849 1.776 4.991 1.00 0.00 O ATOM 214 CB PHE A 15 5.605 2.687 2.211 1.00 0.00 C ATOM 215 CG PHE A 15 5.105 4.069 2.521 1.00 0.00 C ATOM 216 CD1 PHE A 15 3.755 4.368 2.440 1.00 0.00 C ATOM 217 CD2 PHE A 15 5.995 5.079 2.850 1.00 0.00 C ATOM 218 CE1 PHE A 15 3.303 5.650 2.680 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.546 6.359 3.100 1.00 0.00 C ATOM 220 CZ PHE A 15 4.200 6.645 3.011 1.00 0.00 C ATOM 0 H PHE A 15 6.582 0.483 2.002 1.00 0.00 H new ATOM 0 HA PHE A 15 6.190 2.196 4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.608 2.767 1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.970 2.253 1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.049 3.591 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.051 4.862 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.249 5.874 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.248 7.136 3.365 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.848 7.648 3.200 1.00 0.00 H new ATOM 230 N ILE A 16 3.489 0.690 3.050 1.00 0.00 N ATOM 231 CA ILE A 16 2.143 0.241 3.398 1.00 0.00 C ATOM 232 C ILE A 16 2.202 -0.721 4.580 1.00 0.00 C ATOM 233 O ILE A 16 1.301 -0.762 5.423 1.00 0.00 O ATOM 234 CB ILE A 16 1.468 -0.463 2.199 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.442 0.468 0.985 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.054 -0.903 2.557 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.034 -0.223 -0.296 1.00 0.00 C ATOM 0 H ILE A 16 3.794 0.409 2.118 1.00 0.00 H new ATOM 0 HA ILE A 16 1.554 1.118 3.667 1.00 0.00 H new ATOM 0 HB ILE A 16 2.050 -1.350 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.752 1.289 1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.431 0.907 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.402 -1.396 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.091 -1.597 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.540 -0.031 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.037 0.497 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.737 -1.026 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.033 -0.638 -0.182 1.00 0.00 H new ATOM 249 N ARG A 17 3.284 -1.484 4.631 1.00 0.00 N ATOM 250 CA ARG A 17 3.521 -2.429 5.708 1.00 0.00 C ATOM 251 C ARG A 17 3.596 -1.708 7.055 1.00 0.00 C ATOM 252 O ARG A 17 2.915 -2.090 8.007 1.00 0.00 O ATOM 253 CB ARG A 17 4.810 -3.205 5.425 1.00 0.00 C ATOM 254 CG ARG A 17 5.183 -4.227 6.480 1.00 0.00 C ATOM 255 CD ARG A 17 6.383 -5.044 6.032 1.00 0.00 C ATOM 256 NE ARG A 17 6.912 -5.883 7.104 1.00 0.00 N ATOM 257 CZ ARG A 17 8.191 -5.909 7.484 1.00 0.00 C ATOM 258 NH1 ARG A 17 9.086 -5.098 6.929 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 8.572 -6.746 8.439 1.00 0.00 N ATOM 0 H ARG A 17 4.021 -1.464 3.926 1.00 0.00 H new ATOM 0 HA ARG A 17 2.689 -3.132 5.760 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.708 -3.714 4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.630 -2.494 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.410 -3.722 7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.337 -4.887 6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.098 -5.673 5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.166 -4.373 5.679 1.00 0.00 H new ATOM 0 HE ARG A 17 6.258 -6.492 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.799 -4.443 6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.060 -5.130 7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.889 -7.364 8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.548 -6.772 8.735 1.00 0.00 H new ATOM 273 N GLU A 18 4.402 -0.655 7.127 1.00 0.00 N ATOM 274 CA GLU A 18 4.503 0.132 8.352 1.00 0.00 C ATOM 275 C GLU A 18 3.222 0.919 8.585 1.00 0.00 C ATOM 276 O GLU A 18 2.779 1.081 9.723 1.00 0.00 O ATOM 277 CB GLU A 18 5.701 1.082 8.307 1.00 0.00 C ATOM 278 CG GLU A 18 7.040 0.369 8.234 1.00 0.00 C ATOM 279 CD GLU A 18 8.193 1.253 8.662 1.00 0.00 C ATOM 280 OE1 GLU A 18 8.055 2.493 8.614 1.00 0.00 O ATOM 281 OE2 GLU A 18 9.245 0.707 9.066 1.00 0.00 O1- ATOM 0 H GLU A 18 4.990 -0.328 6.360 1.00 0.00 H new ATOM 0 HA GLU A 18 4.651 -0.561 9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.601 1.739 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.684 1.716 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.011 -0.517 8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.210 0.025 7.214 1.00 0.00 H new ATOM 288 N LEU A 19 2.631 1.393 7.495 1.00 0.00 N ATOM 289 CA LEU A 19 1.379 2.109 7.522 1.00 0.00 C ATOM 290 C LEU A 19 0.312 1.326 8.289 1.00 0.00 C ATOM 291 O LEU A 19 -0.319 1.846 9.212 1.00 0.00 O ATOM 292 CB LEU A 19 0.952 2.311 6.080 1.00 0.00 C ATOM 293 CG LEU A 19 0.250 3.613 5.759 1.00 0.00 C ATOM 294 CD1 LEU A 19 1.157 4.797 6.051 1.00 0.00 C ATOM 295 CD2 LEU A 19 -0.154 3.604 4.303 1.00 0.00 C ATOM 0 H LEU A 19 3.020 1.285 6.558 1.00 0.00 H new ATOM 0 HA LEU A 19 1.500 3.064 8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.837 2.236 5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.292 1.490 5.802 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.637 3.710 6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.634 5.723 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.430 4.795 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.059 4.723 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.661 4.538 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.734 3.501 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.827 2.767 4.117 1.00 0.00 H new ATOM 307 N GLY A 20 0.116 0.072 7.901 1.00 0.00 N ATOM 308 CA GLY A 20 -0.856 -0.769 8.569 1.00 0.00 C ATOM 309 C GLY A 20 -0.374 -1.274 9.914 1.00 0.00 C ATOM 310 O GLY A 20 -1.181 -1.674 10.751 1.00 0.00 O ATOM 0 H GLY A 20 0.615 -0.378 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.780 -0.208 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.092 -1.620 7.930 1.00 0.00 H new ATOM 314 N ASP A 21 0.937 -1.253 10.126 1.00 0.00 N ATOM 315 CA ASP A 21 1.508 -1.740 11.376 1.00 0.00 C ATOM 316 C ASP A 21 1.236 -0.763 12.513 1.00 0.00 C ATOM 317 O ASP A 21 1.024 -1.169 13.654 1.00 0.00 O ATOM 318 CB ASP A 21 3.015 -1.971 11.235 1.00 0.00 C ATOM 319 CG ASP A 21 3.599 -2.709 12.425 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.475 -3.951 12.477 1.00 0.00 O1- ATOM 321 OD2 ASP A 21 4.181 -2.056 13.315 1.00 0.00 O ATOM 0 H ASP A 21 1.621 -0.906 9.453 1.00 0.00 H new ATOM 0 HA ASP A 21 1.030 -2.691 11.610 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.209 -2.541 10.326 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.518 -1.011 11.123 1.00 0.00 H new ATOM 326 N VAL A 22 1.231 0.526 12.196 1.00 0.00 N ATOM 327 CA VAL A 22 0.967 1.551 13.195 1.00 0.00 C ATOM 328 C VAL A 22 -0.514 1.896 13.224 1.00 0.00 C ATOM 329 O VAL A 22 -1.016 2.464 14.195 1.00 0.00 O ATOM 330 CB VAL A 22 1.798 2.829 12.953 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.279 2.542 13.130 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.529 3.405 11.570 1.00 0.00 C ATOM 0 H VAL A 22 1.406 0.885 11.257 1.00 0.00 H new ATOM 0 HA VAL A 22 1.264 1.141 14.160 1.00 0.00 H new ATOM 0 HB VAL A 22 1.496 3.571 13.692 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.850 3.454 12.956 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.462 2.188 14.144 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.589 1.778 12.417 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.128 4.304 11.428 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.794 2.669 10.811 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.472 3.655 11.479 1.00 0.00 H new ATOM 342 N GLY A 23 -1.208 1.551 12.148 1.00 0.00 N ATOM 343 CA GLY A 23 -2.644 1.706 12.117 1.00 0.00 C ATOM 344 C GLY A 23 -3.109 2.920 11.333 1.00 0.00 C ATOM 345 O GLY A 23 -4.176 3.466 11.606 1.00 0.00 O ATOM 0 H GLY A 23 -0.799 1.166 11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.088 0.811 11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.015 1.781 13.139 1.00 0.00 H new ATOM 349 N LEU A 24 -2.317 3.338 10.355 1.00 0.00 N ATOM 350 CA LEU A 24 -2.680 4.469 9.503 1.00 0.00 C ATOM 351 C LEU A 24 -3.270 3.979 8.188 1.00 0.00 C ATOM 352 O LEU A 24 -3.865 4.744 7.430 1.00 0.00 O ATOM 353 CB LEU A 24 -1.451 5.340 9.241 1.00 0.00 C ATOM 354 CG LEU A 24 -0.923 6.075 10.470 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.455 6.657 10.211 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.891 7.174 10.881 1.00 0.00 C ATOM 0 H LEU A 24 -1.418 2.912 10.130 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.434 5.066 10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.656 4.713 8.839 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.698 6.073 8.473 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.837 5.355 11.284 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.805 7.175 11.104 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.148 5.854 9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.402 7.361 9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.503 7.691 11.759 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.004 7.884 10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.860 6.735 11.117 1.00 0.00 H new ATOM 368 N LEU A 25 -3.092 2.696 7.931 1.00 0.00 N ATOM 369 CA LEU A 25 -3.603 2.070 6.721 1.00 0.00 C ATOM 370 C LEU A 25 -4.926 1.377 7.027 1.00 0.00 C ATOM 371 O LEU A 25 -5.756 1.162 6.142 1.00 0.00 O ATOM 372 CB LEU A 25 -2.544 1.089 6.204 1.00 0.00 C ATOM 373 CG LEU A 25 -2.813 0.405 4.867 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.699 -0.803 5.050 1.00 0.00 C ATOM 375 CD2 LEU A 25 -3.414 1.379 3.863 1.00 0.00 C ATOM 0 H LEU A 25 -2.592 2.059 8.551 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.797 2.811 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.599 1.626 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.407 0.313 6.958 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.858 0.064 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.877 -1.274 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.211 -1.515 5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.650 -0.494 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.595 0.864 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.356 1.767 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.722 2.205 3.698 1.00 0.00 H new ATOM 387 N GLU A 26 -5.114 1.058 8.300 1.00 0.00 N ATOM 388 CA GLU A 26 -6.357 0.466 8.783 1.00 0.00 C ATOM 389 C GLU A 26 -7.560 1.313 8.367 1.00 0.00 C ATOM 390 O GLU A 26 -7.455 2.533 8.213 1.00 0.00 O ATOM 391 CB GLU A 26 -6.314 0.303 10.300 1.00 0.00 C ATOM 392 CG GLU A 26 -5.267 -0.693 10.773 1.00 0.00 C ATOM 393 CD GLU A 26 -5.387 -1.004 12.250 1.00 0.00 C ATOM 394 OE1 GLU A 26 -5.046 -0.135 13.078 1.00 0.00 O ATOM 395 OE2 GLU A 26 -5.827 -2.121 12.592 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.412 1.201 9.026 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.465 -0.520 8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.114 1.273 10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.295 -0.018 10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.364 -1.616 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.273 -0.295 10.569 1.00 0.00 H new ATOM 402 N TYR A 27 -8.699 0.664 8.195 1.00 0.00 N ATOM 403 CA TYR A 27 -9.842 1.305 7.564 1.00 0.00 C ATOM 404 C TYR A 27 -11.161 0.761 8.110 1.00 0.00 C ATOM 405 O TYR A 27 -11.179 -0.163 8.928 1.00 0.00 O ATOM 406 CB TYR A 27 -9.778 1.068 6.051 1.00 0.00 C ATOM 407 CG TYR A 27 -9.822 -0.399 5.689 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.671 -1.174 5.718 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.019 -1.013 5.353 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.712 -2.518 5.417 1.00 0.00 C ATOM 411 CE2 TYR A 27 -11.068 -2.360 5.058 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.913 -3.106 5.092 1.00 0.00 C ATOM 413 OH TYR A 27 -9.959 -4.449 4.815 1.00 0.00 O ATOM 0 H TYR A 27 -8.858 -0.302 8.482 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.802 2.372 7.784 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.611 1.582 5.571 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.862 1.508 5.657 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.729 -0.717 5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.926 -0.428 5.322 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.807 -3.107 5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.008 -2.826 4.802 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.262 -4.583 3.893 1.00 0.00 H new ATOM 423 N GLU A 28 -12.257 1.333 7.632 1.00 0.00 N ATOM 424 CA GLU A 28 -13.593 0.888 7.989 1.00 0.00 C ATOM 425 C GLU A 28 -14.499 1.022 6.772 1.00 0.00 C ATOM 426 O GLU A 28 -14.497 2.056 6.104 1.00 0.00 O ATOM 427 CB GLU A 28 -14.141 1.718 9.155 1.00 0.00 C ATOM 428 CG GLU A 28 -15.491 1.238 9.664 1.00 0.00 C ATOM 429 CD GLU A 28 -15.446 -0.186 10.177 1.00 0.00 C ATOM 430 OE1 GLU A 28 -15.667 -1.120 9.379 1.00 0.00 O ATOM 431 OE2 GLU A 28 -15.192 -0.379 11.385 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.243 2.121 6.984 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.557 -0.154 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.424 1.694 9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.230 2.758 8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.830 1.898 10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.224 1.308 8.860 1.00 0.00 H new ATOM 438 N LEU A 29 -15.254 -0.022 6.473 1.00 0.00 N ATOM 439 CA LEU A 29 -16.098 -0.037 5.287 1.00 0.00 C ATOM 440 C LEU A 29 -17.569 -0.135 5.649 1.00 0.00 C ATOM 441 O LEU A 29 -17.968 -0.971 6.462 1.00 0.00 O ATOM 442 CB LEU A 29 -15.731 -1.213 4.387 1.00 0.00 C ATOM 443 CG LEU A 29 -14.300 -1.218 3.867 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.056 -2.459 3.036 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.020 0.034 3.054 1.00 0.00 C ATOM 0 H LEU A 29 -15.301 -0.872 7.035 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.929 0.902 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.902 -2.137 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.409 -1.221 3.534 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.619 -1.227 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.030 -2.455 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.218 -3.345 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.744 -2.472 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.992 0.010 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.703 0.077 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.164 0.914 3.680 1.00 0.00 H new ATOM 457 N SER A 30 -18.369 0.715 5.030 1.00 0.00 N ATOM 458 CA SER A 30 -19.812 0.662 5.186 1.00 0.00 C ATOM 459 C SER A 30 -20.382 -0.414 4.270 1.00 0.00 C ATOM 460 O SER A 30 -19.664 -0.932 3.415 1.00 0.00 O ATOM 461 CB SER A 30 -20.426 2.021 4.845 1.00 0.00 C ATOM 462 OG SER A 30 -19.664 3.081 5.400 1.00 0.00 O ATOM 0 H SER A 30 -18.041 1.455 4.410 1.00 0.00 H new ATOM 0 HA SER A 30 -20.054 0.419 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.481 2.137 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.447 2.067 5.223 1.00 0.00 H new ATOM 0 HG SER A 30 -18.918 3.295 4.802 1.00 0.00 H new ATOM 468 N GLN A 31 -21.654 -0.750 4.435 1.00 0.00 N ATOM 469 CA GLN A 31 -22.294 -1.754 3.587 1.00 0.00 C ATOM 470 C GLN A 31 -22.122 -1.417 2.110 1.00 0.00 C ATOM 471 O GLN A 31 -21.773 -2.278 1.302 1.00 0.00 O ATOM 472 CB GLN A 31 -23.778 -1.871 3.929 1.00 0.00 C ATOM 473 CG GLN A 31 -24.039 -2.626 5.219 1.00 0.00 C ATOM 474 CD GLN A 31 -23.566 -4.064 5.148 1.00 0.00 C ATOM 475 OE1 GLN A 31 -24.310 -4.951 4.729 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.332 -4.310 5.559 1.00 0.00 N ATOM 0 H GLN A 31 -22.264 -0.345 5.145 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.809 -2.712 3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.205 -0.871 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.294 -2.374 3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.535 -2.120 6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.106 -2.607 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.746 -3.547 5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.967 -5.262 5.535 1.00 0.00 H new ATOM 485 N GLN A 32 -22.329 -0.150 1.783 1.00 0.00 N ATOM 486 CA GLN A 32 -22.208 0.325 0.414 1.00 0.00 C ATOM 487 C GLN A 32 -20.776 0.171 -0.083 1.00 0.00 C ATOM 488 O GLN A 32 -20.535 -0.291 -1.200 1.00 0.00 O ATOM 489 CB GLN A 32 -22.630 1.782 0.345 1.00 0.00 C ATOM 490 CG GLN A 32 -22.742 2.319 -1.067 1.00 0.00 C ATOM 491 CD GLN A 32 -23.274 3.731 -1.088 1.00 0.00 C ATOM 492 OE1 GLN A 32 -23.934 4.151 -2.037 1.00 0.00 O ATOM 493 NE2 GLN A 32 -22.990 4.474 -0.037 1.00 0.00 N ATOM 0 H GLN A 32 -22.584 0.574 2.455 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.858 -0.272 -0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.592 1.896 0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -21.910 2.386 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -21.763 2.292 -1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -23.399 1.674 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.439 4.085 0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.321 5.438 0.011 1.00 0.00 H new ATOM 502 N GLU A 33 -19.829 0.541 0.768 1.00 0.00 N ATOM 503 CA GLU A 33 -18.416 0.470 0.426 1.00 0.00 C ATOM 504 C GLU A 33 -17.967 -0.979 0.283 1.00 0.00 C ATOM 505 O GLU A 33 -17.079 -1.289 -0.503 1.00 0.00 O ATOM 506 CB GLU A 33 -17.581 1.183 1.486 1.00 0.00 C ATOM 507 CG GLU A 33 -17.962 2.643 1.666 1.00 0.00 C ATOM 508 CD GLU A 33 -17.192 3.316 2.781 1.00 0.00 C ATOM 509 OE1 GLU A 33 -17.468 3.015 3.960 1.00 0.00 O ATOM 510 OE2 GLU A 33 -16.326 4.164 2.486 1.00 0.00 O1- ATOM 0 H GLU A 33 -20.016 0.895 1.706 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.268 0.969 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.695 0.665 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.528 1.120 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.784 3.178 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.030 2.712 1.874 1.00 0.00 H new ATOM 517 N LYS A 34 -18.603 -1.872 1.023 1.00 0.00 N ATOM 518 CA LYS A 34 -18.265 -3.286 0.956 1.00 0.00 C ATOM 519 C LYS A 34 -18.846 -3.911 -0.302 1.00 0.00 C ATOM 520 O LYS A 34 -18.288 -4.854 -0.859 1.00 0.00 O ATOM 521 CB LYS A 34 -18.771 -4.025 2.196 1.00 0.00 C ATOM 522 CG LYS A 34 -17.953 -3.752 3.444 1.00 0.00 C ATOM 523 CD LYS A 34 -18.476 -4.534 4.636 1.00 0.00 C ATOM 524 CE LYS A 34 -17.613 -4.313 5.867 1.00 0.00 C ATOM 525 NZ LYS A 34 -18.176 -4.994 7.062 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.354 -1.645 1.675 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.179 -3.375 0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.806 -3.739 2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.767 -5.097 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.911 -4.017 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.976 -2.686 3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.501 -4.232 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.501 -5.596 4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.606 -4.685 5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.527 -3.244 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.561 -4.821 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.127 -4.622 7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.235 -6.017 6.883 1.00 0.00 H new ATOM 539 N ASP A 35 -19.953 -3.354 -0.760 1.00 0.00 N ATOM 540 CA ASP A 35 -20.655 -3.881 -1.920 1.00 0.00 C ATOM 541 C ASP A 35 -19.878 -3.594 -3.197 1.00 0.00 C ATOM 542 O ASP A 35 -19.910 -4.378 -4.140 1.00 0.00 O ATOM 543 CB ASP A 35 -22.052 -3.266 -2.000 1.00 0.00 C ATOM 544 CG ASP A 35 -22.931 -3.930 -3.039 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.530 -4.986 -2.732 1.00 0.00 O ATOM 546 OD2 ASP A 35 -23.047 -3.392 -4.161 1.00 0.00 O1- ATOM 0 H ASP A 35 -20.389 -2.531 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.745 -4.962 -1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.532 -3.340 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.963 -2.205 -2.232 1.00 0.00 H new ATOM 551 N VAL A 36 -19.170 -2.476 -3.224 1.00 0.00 N ATOM 552 CA VAL A 36 -18.400 -2.105 -4.403 1.00 0.00 C ATOM 553 C VAL A 36 -17.021 -2.770 -4.407 1.00 0.00 C ATOM 554 O VAL A 36 -16.425 -2.979 -5.464 1.00 0.00 O ATOM 555 CB VAL A 36 -18.244 -0.573 -4.521 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.609 0.091 -4.595 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.440 -0.011 -3.359 1.00 0.00 C ATOM 0 H VAL A 36 -19.112 -1.814 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 36 -18.959 -2.463 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.698 -0.358 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.484 1.171 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.147 -0.280 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.176 -0.141 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.347 1.069 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.948 -0.237 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.448 -0.462 -3.352 1.00 0.00 H new ATOM 567 N LEU A 37 -16.520 -3.114 -3.225 1.00 0.00 N ATOM 568 CA LEU A 37 -15.184 -3.689 -3.107 1.00 0.00 C ATOM 569 C LEU A 37 -15.228 -5.210 -3.105 1.00 0.00 C ATOM 570 O LEU A 37 -14.519 -5.859 -3.873 1.00 0.00 O ATOM 571 CB LEU A 37 -14.498 -3.173 -1.843 1.00 0.00 C ATOM 572 CG LEU A 37 -14.447 -1.651 -1.736 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.718 -1.220 -0.477 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.795 -1.048 -2.968 1.00 0.00 C ATOM 0 H LEU A 37 -17.015 -3.006 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.607 -3.377 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.020 -3.570 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.481 -3.563 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.471 -1.282 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.695 -0.132 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.236 -1.615 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.698 -1.604 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.769 0.037 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.778 -1.428 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.370 -1.320 -3.854 1.00 0.00 H new ATOM 659 N LYS B 43 -0.806 8.488 13.887 1.00 0.00 N ATOM 660 CA LYS B 43 0.426 7.726 14.056 1.00 0.00 C ATOM 661 C LYS B 43 1.537 8.292 13.179 1.00 0.00 C ATOM 662 O LYS B 43 1.371 9.311 12.507 1.00 0.00 O ATOM 663 CB LYS B 43 0.236 6.246 13.697 1.00 0.00 C ATOM 664 CG LYS B 43 -1.160 5.710 13.940 1.00 0.00 C ATOM 665 CD LYS B 43 -1.609 5.976 15.351 1.00 0.00 C ATOM 666 CE LYS B 43 -3.085 5.683 15.520 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.548 5.901 16.914 1.00 0.00 N1+ ATOM 0 HA LYS B 43 0.699 7.806 15.108 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.486 6.106 12.645 1.00 0.00 H new ATOM 0 HB3 LYS B 43 0.944 5.652 14.275 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -1.857 6.173 13.241 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -1.179 4.638 13.746 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -1.032 5.361 16.041 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -1.410 7.016 15.609 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.659 6.319 14.846 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -3.283 4.651 15.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.564 5.688 16.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -3.021 5.276 17.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -3.384 6.892 17.183 1.00 0.00 H new ATOM 681 N THR B 44 2.661 7.605 13.194 1.00 0.00 N ATOM 682 CA THR B 44 3.786 7.922 12.337 1.00 0.00 C ATOM 683 C THR B 44 4.461 6.631 11.911 1.00 0.00 C ATOM 684 O THR B 44 4.226 5.585 12.515 1.00 0.00 O ATOM 685 CB THR B 44 4.801 8.834 13.047 1.00 0.00 C ATOM 686 OG1 THR B 44 4.520 8.889 14.455 1.00 0.00 O ATOM 687 CG2 THR B 44 4.774 10.233 12.456 1.00 0.00 C ATOM 0 H THR B 44 2.821 6.805 13.806 1.00 0.00 H new ATOM 0 HA THR B 44 3.415 8.460 11.465 1.00 0.00 H new ATOM 0 HB THR B 44 5.797 8.416 12.900 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.173 9.471 14.896 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.500 10.861 12.973 1.00 0.00 H new ATOM 0 HG22 THR B 44 5.026 10.185 11.397 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.777 10.658 12.573 1.00 0.00 H new ATOM 695 N LEU B 45 5.285 6.692 10.878 1.00 0.00 N ATOM 696 CA LEU B 45 5.934 5.497 10.368 1.00 0.00 C ATOM 697 C LEU B 45 7.100 5.104 11.259 1.00 0.00 C ATOM 698 O LEU B 45 7.502 5.857 12.148 1.00 0.00 O ATOM 699 CB LEU B 45 6.406 5.706 8.931 1.00 0.00 C ATOM 700 CG LEU B 45 5.292 5.958 7.917 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.860 6.049 6.516 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.246 4.859 7.990 1.00 0.00 C ATOM 0 H LEU B 45 5.519 7.550 10.379 1.00 0.00 H new ATOM 0 HA LEU B 45 5.206 4.686 10.372 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.094 6.551 8.910 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.970 4.827 8.618 1.00 0.00 H new ATOM 0 HG LEU B 45 4.815 6.907 8.161 1.00 0.00 H new ATOM 0 HD11 LEU B 45 5.052 6.229 5.807 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.576 6.870 6.466 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.362 5.114 6.265 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.460 5.055 7.260 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.712 3.898 7.772 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.814 4.834 8.990 1.00 0.00 H new ATOM 714 N LYS B 46 7.639 3.923 11.015 1.00 0.00 N ATOM 715 CA LYS B 46 8.657 3.356 11.880 1.00 0.00 C ATOM 716 C LYS B 46 10.039 3.599 11.296 1.00 0.00 C ATOM 717 O LYS B 46 11.017 3.754 12.023 1.00 0.00 O ATOM 718 CB LYS B 46 8.398 1.866 12.079 1.00 0.00 C ATOM 719 CG LYS B 46 7.060 1.583 12.746 1.00 0.00 C ATOM 720 CD LYS B 46 6.289 0.504 12.011 1.00 0.00 C ATOM 721 CE LYS B 46 6.940 -0.859 12.163 1.00 0.00 C ATOM 722 NZ LYS B 46 6.804 -1.389 13.547 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.387 3.335 10.220 1.00 0.00 H new ATOM 0 HA LYS B 46 8.613 3.844 12.854 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.430 1.364 11.112 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.198 1.441 12.685 1.00 0.00 H new ATOM 0 HG2 LYS B 46 7.225 1.274 13.778 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.468 2.497 12.778 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.268 0.464 12.392 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.225 0.760 10.953 1.00 0.00 H new ATOM 0 HE2 LYS B 46 6.486 -1.558 11.461 1.00 0.00 H new ATOM 0 HE3 LYS B 46 7.996 -0.787 11.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.232 -2.335 13.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 7.288 -0.752 14.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 5.797 -1.450 13.798 1.00 0.00 H new ATOM 736 N THR B 47 10.108 3.639 9.976 1.00 0.00 N ATOM 737 CA THR B 47 11.331 3.998 9.290 1.00 0.00 C ATOM 738 C THR B 47 11.316 5.481 8.939 1.00 0.00 C ATOM 739 O THR B 47 10.402 5.960 8.274 1.00 0.00 O ATOM 740 CB THR B 47 11.508 3.185 7.999 1.00 0.00 C ATOM 741 OG1 THR B 47 11.490 1.783 8.295 1.00 0.00 O ATOM 742 CG2 THR B 47 12.818 3.555 7.323 1.00 0.00 C ATOM 0 H THR B 47 9.325 3.425 9.358 1.00 0.00 H new ATOM 0 HA THR B 47 12.162 3.778 9.961 1.00 0.00 H new ATOM 0 HB THR B 47 10.684 3.416 7.323 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.667 1.561 8.778 1.00 0.00 H new ATOM 0 HG21 THR B 47 12.933 2.973 6.409 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.814 4.617 7.078 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.648 3.341 7.996 1.00 0.00 H new ATOM 750 N LYS B 48 12.339 6.200 9.379 1.00 0.00 N ATOM 751 CA LYS B 48 12.415 7.641 9.174 1.00 0.00 C ATOM 752 C LYS B 48 12.585 7.977 7.700 1.00 0.00 C ATOM 753 O LYS B 48 12.088 9.001 7.226 1.00 0.00 O ATOM 754 CB LYS B 48 13.569 8.223 9.986 1.00 0.00 C ATOM 755 CG LYS B 48 13.672 9.746 9.926 1.00 0.00 C ATOM 756 CD LYS B 48 12.346 10.436 10.241 1.00 0.00 C ATOM 757 CE LYS B 48 11.843 10.100 11.635 1.00 0.00 C ATOM 758 NZ LYS B 48 10.575 10.811 11.958 1.00 0.00 N1+ ATOM 0 H LYS B 48 13.133 5.806 9.884 1.00 0.00 H new ATOM 0 HA LYS B 48 11.479 8.085 9.514 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.456 7.918 11.026 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.504 7.792 9.628 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.430 10.084 10.633 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.006 10.045 8.933 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.469 11.515 10.151 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.599 10.138 9.505 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.685 9.024 11.714 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.604 10.365 12.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 10.401 10.762 12.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 10.651 11.807 11.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.786 10.362 11.451 1.00 0.00 H new ATOM 772 N ALA B 49 13.277 7.105 6.977 1.00 0.00 N ATOM 773 CA ALA B 49 13.459 7.273 5.542 1.00 0.00 C ATOM 774 C ALA B 49 12.120 7.236 4.816 1.00 0.00 C ATOM 775 O ALA B 49 12.005 7.700 3.686 1.00 0.00 O ATOM 776 CB ALA B 49 14.386 6.200 4.992 1.00 0.00 C ATOM 0 H ALA B 49 13.722 6.272 7.363 1.00 0.00 H new ATOM 0 HA ALA B 49 13.914 8.249 5.372 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.510 6.342 3.918 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.357 6.272 5.482 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.956 5.216 5.181 1.00 0.00 H new ATOM 782 N PHE B 50 11.114 6.682 5.481 1.00 0.00 N ATOM 783 CA PHE B 50 9.769 6.591 4.928 1.00 0.00 C ATOM 784 C PHE B 50 8.851 7.616 5.586 1.00 0.00 C ATOM 785 O PHE B 50 8.028 8.248 4.922 1.00 0.00 O ATOM 786 CB PHE B 50 9.207 5.183 5.145 1.00 0.00 C ATOM 787 CG PHE B 50 9.744 4.142 4.202 1.00 0.00 C ATOM 788 CD1 PHE B 50 11.077 4.132 3.824 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.906 3.166 3.699 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.559 3.170 2.958 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.381 2.202 2.833 1.00 0.00 C ATOM 792 CZ PHE B 50 10.708 2.204 2.462 1.00 0.00 C ATOM 0 H PHE B 50 11.207 6.284 6.416 1.00 0.00 H new ATOM 0 HA PHE B 50 9.820 6.798 3.859 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.423 4.874 6.168 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.122 5.220 5.045 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.747 4.885 4.211 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.865 3.157 3.987 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.600 3.174 2.670 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.713 1.447 2.446 1.00 0.00 H new ATOM 0 HZ PHE B 50 11.081 1.451 1.784 1.00 0.00 H new ATOM 802 N ASP B 51 9.013 7.771 6.897 1.00 0.00 N ATOM 803 CA ASP B 51 8.171 8.654 7.703 1.00 0.00 C ATOM 804 C ASP B 51 8.221 10.085 7.186 1.00 0.00 C ATOM 805 O ASP B 51 7.214 10.794 7.201 1.00 0.00 O ATOM 806 CB ASP B 51 8.622 8.604 9.167 1.00 0.00 C ATOM 807 CG ASP B 51 7.657 9.280 10.115 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.433 9.068 9.977 1.00 0.00 O1- ATOM 809 OD2 ASP B 51 8.127 10.006 11.021 1.00 0.00 O ATOM 0 H ASP B 51 9.733 7.287 7.433 1.00 0.00 H new ATOM 0 HA ASP B 51 7.140 8.307 7.630 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.745 7.563 9.466 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.599 9.079 9.255 1.00 0.00 H new ATOM 814 N ASP B 52 9.389 10.494 6.703 1.00 0.00 N ATOM 815 CA ASP B 52 9.571 11.836 6.160 1.00 0.00 C ATOM 816 C ASP B 52 8.554 12.121 5.062 1.00 0.00 C ATOM 817 O ASP B 52 7.897 13.160 5.066 1.00 0.00 O ATOM 818 CB ASP B 52 10.987 12.006 5.607 1.00 0.00 C ATOM 819 CG ASP B 52 11.241 13.409 5.088 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.312 14.343 5.910 1.00 0.00 O1- ATOM 821 OD2 ASP B 52 11.372 13.583 3.857 1.00 0.00 O ATOM 0 H ASP B 52 10.227 9.913 6.676 1.00 0.00 H new ATOM 0 HA ASP B 52 9.418 12.547 6.972 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.710 11.775 6.389 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.148 11.289 4.802 1.00 0.00 H new ATOM 826 N ILE B 53 8.403 11.172 4.150 1.00 0.00 N ATOM 827 CA ILE B 53 7.497 11.333 3.022 1.00 0.00 C ATOM 828 C ILE B 53 6.046 11.370 3.481 1.00 0.00 C ATOM 829 O ILE B 53 5.257 12.168 2.984 1.00 0.00 O ATOM 830 CB ILE B 53 7.672 10.200 1.991 1.00 0.00 C ATOM 831 CG1 ILE B 53 9.079 10.228 1.399 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.629 10.295 0.888 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.997 9.184 1.975 1.00 0.00 C ATOM 0 H ILE B 53 8.898 10.280 4.169 1.00 0.00 H new ATOM 0 HA ILE B 53 7.748 12.283 2.550 1.00 0.00 H new ATOM 0 HB ILE B 53 7.530 9.251 2.508 1.00 0.00 H new ATOM 0 HG12 ILE B 53 9.013 10.086 0.320 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.514 11.214 1.565 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.777 9.483 0.176 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.632 10.219 1.322 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.729 11.251 0.374 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.978 9.264 1.507 1.00 0.00 H new ATOM 0 HD12 ILE B 53 10.094 9.338 3.050 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.585 8.193 1.786 1.00 0.00 H new ATOM 845 N TYR B 54 5.704 10.524 4.445 1.00 0.00 N ATOM 846 CA TYR B 54 4.325 10.422 4.907 1.00 0.00 C ATOM 847 C TYR B 54 3.811 11.765 5.433 1.00 0.00 C ATOM 848 O TYR B 54 2.655 12.124 5.204 1.00 0.00 O ATOM 849 CB TYR B 54 4.190 9.340 5.980 1.00 0.00 C ATOM 850 CG TYR B 54 2.769 9.154 6.459 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.775 8.712 5.593 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.416 9.439 7.769 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.472 8.558 6.024 1.00 0.00 C ATOM 854 CE2 TYR B 54 1.117 9.292 8.205 1.00 0.00 C ATOM 855 CZ TYR B 54 0.147 8.851 7.330 1.00 0.00 C ATOM 856 OH TYR B 54 -1.155 8.711 7.763 1.00 0.00 O ATOM 0 H TYR B 54 6.358 9.902 4.920 1.00 0.00 H new ATOM 0 HA TYR B 54 3.712 10.140 4.051 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.560 8.395 5.583 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.823 9.598 6.829 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.026 8.486 4.567 1.00 0.00 H new ATOM 0 HD2 TYR B 54 3.172 9.782 8.460 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.288 8.210 5.341 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.860 9.521 9.228 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.336 9.362 8.473 1.00 0.00 H new ATOM 866 N GLN B 55 4.664 12.511 6.125 1.00 0.00 N ATOM 867 CA GLN B 55 4.288 13.830 6.611 1.00 0.00 C ATOM 868 C GLN B 55 4.390 14.864 5.508 1.00 0.00 C ATOM 869 O GLN B 55 3.645 15.843 5.478 1.00 0.00 O ATOM 870 CB GLN B 55 5.181 14.253 7.768 1.00 0.00 C ATOM 871 CG GLN B 55 4.818 13.607 9.084 1.00 0.00 C ATOM 872 CD GLN B 55 5.548 12.308 9.351 1.00 0.00 C ATOM 873 OE1 GLN B 55 6.652 12.316 9.891 1.00 0.00 O ATOM 874 NE2 GLN B 55 4.931 11.187 9.013 1.00 0.00 N ATOM 0 H GLN B 55 5.615 12.226 6.360 1.00 0.00 H new ATOM 0 HA GLN B 55 3.255 13.769 6.952 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.215 14.007 7.526 1.00 0.00 H new ATOM 0 HB3 GLN B 55 5.128 15.336 7.879 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.033 14.306 9.892 1.00 0.00 H new ATOM 0 HG3 GLN B 55 3.744 13.419 9.102 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.015 11.224 8.566 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.372 10.286 9.199 1.00 0.00 H new ATOM 883 N ASN B 56 5.321 14.637 4.609 1.00 0.00 N ATOM 884 CA ASN B 56 5.630 15.599 3.557 1.00 0.00 C ATOM 885 C ASN B 56 4.951 15.258 2.235 1.00 0.00 C ATOM 886 O ASN B 56 5.477 15.558 1.161 1.00 0.00 O ATOM 887 CB ASN B 56 7.141 15.695 3.363 1.00 0.00 C ATOM 888 CG ASN B 56 7.801 16.505 4.460 1.00 0.00 C ATOM 889 OD1 ASN B 56 7.962 17.719 4.338 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.178 15.843 5.543 1.00 0.00 N ATOM 0 H ASN B 56 5.886 13.788 4.580 1.00 0.00 H new ATOM 0 HA ASN B 56 5.238 16.564 3.878 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.569 14.693 3.344 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.355 16.151 2.396 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.620 16.340 6.316 1.00 0.00 H new ATOM 0 HD22 ASN B 56 8.026 14.836 5.604 1.00 0.00 H new ATOM 897 N SER B 57 3.797 14.619 2.310 1.00 0.00 N ATOM 898 CA SER B 57 3.008 14.343 1.121 1.00 0.00 C ATOM 899 C SER B 57 1.518 14.371 1.441 1.00 0.00 C ATOM 900 O SER B 57 0.894 13.333 1.668 1.00 0.00 O ATOM 901 CB SER B 57 3.404 12.998 0.510 1.00 0.00 C ATOM 902 OG SER B 57 4.745 13.028 0.055 1.00 0.00 O ATOM 0 H SER B 57 3.385 14.282 3.180 1.00 0.00 H new ATOM 0 HA SER B 57 3.213 15.124 0.389 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.284 12.207 1.251 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.739 12.760 -0.320 1.00 0.00 H new ATOM 0 HG SER B 57 5.128 13.914 0.224 1.00 0.00 H new ATOM 908 N ALA B 58 0.950 15.571 1.455 1.00 0.00 N ATOM 909 CA ALA B 58 -0.474 15.738 1.700 1.00 0.00 C ATOM 910 C ALA B 58 -1.278 15.211 0.517 1.00 0.00 C ATOM 911 O ALA B 58 -2.418 14.767 0.672 1.00 0.00 O ATOM 912 CB ALA B 58 -0.801 17.200 1.960 1.00 0.00 C ATOM 0 H ALA B 58 1.456 16.443 1.299 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.745 15.164 2.586 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.870 17.307 2.141 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.248 17.547 2.833 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.519 17.796 1.092 1.00 0.00 H new ATOM 918 N GLU B 59 -0.661 15.247 -0.662 1.00 0.00 N ATOM 919 CA GLU B 59 -1.278 14.726 -1.873 1.00 0.00 C ATOM 920 C GLU B 59 -1.360 13.204 -1.813 1.00 0.00 C ATOM 921 O GLU B 59 -2.189 12.586 -2.473 1.00 0.00 O ATOM 922 CB GLU B 59 -0.491 15.182 -3.108 1.00 0.00 C ATOM 923 CG GLU B 59 1.015 14.994 -2.983 1.00 0.00 C ATOM 924 CD GLU B 59 1.779 15.505 -4.189 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.320 16.482 -4.819 1.00 0.00 O ATOM 926 OE2 GLU B 59 2.852 14.948 -4.499 1.00 0.00 O1- ATOM 0 H GLU B 59 0.272 15.635 -0.801 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.292 15.119 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -0.846 14.629 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -0.702 16.235 -3.293 1.00 0.00 H new ATOM 0 HG2 GLU B 59 1.367 15.512 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU B 59 1.233 13.935 -2.844 1.00 0.00 H new ATOM 933 N LEU B 60 -0.489 12.609 -1.011 1.00 0.00 N ATOM 934 CA LEU B 60 -0.522 11.176 -0.778 1.00 0.00 C ATOM 935 C LEU B 60 -1.516 10.836 0.323 1.00 0.00 C ATOM 936 O LEU B 60 -2.311 9.905 0.198 1.00 0.00 O ATOM 937 CB LEU B 60 0.849 10.665 -0.367 1.00 0.00 C ATOM 938 CG LEU B 60 0.893 9.174 -0.067 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.097 8.381 -1.342 1.00 0.00 C ATOM 940 CD2 LEU B 60 1.964 8.870 0.958 1.00 0.00 C ATOM 0 H LEU B 60 0.251 13.100 -0.510 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.826 10.699 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.560 10.886 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.179 11.212 0.516 1.00 0.00 H new ATOM 0 HG LEU B 60 -0.064 8.873 0.358 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.126 7.317 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU B 60 0.275 8.579 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU B 60 2.038 8.676 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.981 7.799 1.160 1.00 0.00 H new ATOM 0 HD22 LEU B 60 2.935 9.182 0.573 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.749 9.410 1.880 1.00 0.00 H new ATOM 952 N GLN B 61 -1.457 11.604 1.407 1.00 0.00 N ATOM 953 CA GLN B 61 -2.290 11.362 2.581 1.00 0.00 C ATOM 954 C GLN B 61 -3.769 11.418 2.219 1.00 0.00 C ATOM 955 O GLN B 61 -4.594 10.739 2.827 1.00 0.00 O ATOM 956 CB GLN B 61 -1.963 12.389 3.677 1.00 0.00 C ATOM 957 CG GLN B 61 -2.960 12.446 4.837 1.00 0.00 C ATOM 958 CD GLN B 61 -2.844 11.300 5.837 1.00 0.00 C ATOM 959 OE1 GLN B 61 -3.111 11.482 7.024 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.473 10.114 5.383 1.00 0.00 N ATOM 0 H GLN B 61 -0.834 12.407 1.497 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.075 10.362 2.959 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -0.975 12.165 4.079 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -1.905 13.377 3.221 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.824 13.388 5.368 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.971 12.453 4.429 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -2.257 9.991 4.394 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.403 9.322 6.022 1.00 0.00 H new ATOM 969 N GLU B 62 -4.088 12.194 1.197 1.00 0.00 N ATOM 970 CA GLU B 62 -5.472 12.360 0.788 1.00 0.00 C ATOM 971 C GLU B 62 -5.975 11.101 0.092 1.00 0.00 C ATOM 972 O GLU B 62 -7.173 10.828 0.072 1.00 0.00 O ATOM 973 CB GLU B 62 -5.631 13.578 -0.121 1.00 0.00 C ATOM 974 CG GLU B 62 -4.969 13.433 -1.478 1.00 0.00 C ATOM 975 CD GLU B 62 -5.242 14.614 -2.381 1.00 0.00 C ATOM 976 OE1 GLU B 62 -4.668 15.698 -2.143 1.00 0.00 O ATOM 977 OE2 GLU B 62 -6.034 14.465 -3.339 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.412 12.716 0.639 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.074 12.526 1.681 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.694 13.772 -0.267 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.214 14.450 0.383 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -3.893 13.322 -1.344 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.326 12.522 -1.958 1.00 0.00 H new ATOM 984 N LEU B 63 -5.049 10.318 -0.449 1.00 0.00 N ATOM 985 CA LEU B 63 -5.403 9.081 -1.124 1.00 0.00 C ATOM 986 C LEU B 63 -5.712 8.006 -0.093 1.00 0.00 C ATOM 987 O LEU B 63 -6.499 7.094 -0.337 1.00 0.00 O ATOM 988 CB LEU B 63 -4.271 8.635 -2.046 1.00 0.00 C ATOM 989 CG LEU B 63 -3.898 9.644 -3.133 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.660 9.186 -3.875 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.051 9.851 -4.103 1.00 0.00 C ATOM 0 H LEU B 63 -4.049 10.520 -0.432 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.290 9.248 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.388 8.429 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.557 7.697 -2.522 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.685 10.598 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.407 9.914 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.829 9.095 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.851 8.219 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.760 10.573 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.302 8.902 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -5.919 10.226 -3.561 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.102 8.146 1.076 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.351 7.244 2.189 1.00 0.00 C ATOM 1005 C LEU B 64 -6.622 7.641 2.933 1.00 0.00 C ATOM 1006 O LEU B 64 -6.949 7.075 3.974 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.159 7.238 3.145 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.898 6.564 2.603 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.712 6.849 3.511 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.118 5.065 2.468 1.00 0.00 C ATOM 0 H LEU B 64 -4.426 8.883 1.278 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.486 6.239 1.790 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.918 8.268 3.407 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.454 6.735 4.066 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.681 6.973 1.616 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.822 6.362 3.111 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.544 7.925 3.564 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -1.918 6.465 4.510 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.212 4.598 2.081 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.356 4.643 3.444 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -3.944 4.879 1.782 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.331 8.626 2.401 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.618 9.017 2.954 1.00 0.00 C ATOM 1024 C LYS B 65 -9.731 8.241 2.264 1.00 0.00 C ATOM 1025 O LYS B 65 -10.877 8.234 2.716 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.842 10.519 2.796 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.828 11.367 3.548 1.00 0.00 C ATOM 1028 CD LYS B 65 -8.063 12.853 3.328 1.00 0.00 C ATOM 1029 CE LYS B 65 -9.382 13.311 3.931 1.00 0.00 C ATOM 1030 NZ LYS B 65 -9.596 14.772 3.755 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.037 9.168 1.588 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.626 8.784 4.019 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.803 10.774 1.737 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.843 10.768 3.147 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.886 11.143 4.613 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -6.822 11.106 3.221 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -7.244 13.420 3.771 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -8.058 13.068 2.259 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -10.203 12.765 3.465 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -9.399 13.067 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -10.506 15.043 4.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -8.827 15.294 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -9.605 15.002 2.741 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.376 7.588 1.161 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.308 6.744 0.433 1.00 0.00 C ATOM 1046 C TYR B 66 -10.286 5.337 1.016 1.00 0.00 C ATOM 1047 O TYR B 66 -9.229 4.703 1.102 1.00 0.00 O ATOM 1048 CB TYR B 66 -9.951 6.685 -1.054 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.000 8.015 -1.770 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.176 8.482 -2.341 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -8.861 8.795 -1.891 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.214 9.691 -3.011 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -8.889 10.005 -2.555 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.067 10.448 -3.115 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.094 11.655 -3.780 1.00 0.00 O ATOM 0 H TYR B 66 -8.442 7.630 0.753 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.306 7.172 0.532 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -8.948 6.270 -1.156 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -10.634 5.996 -1.550 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.076 7.891 -2.261 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -7.934 8.450 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.137 10.040 -3.450 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -7.992 10.601 -2.635 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.202 12.060 -3.759 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.452 4.853 1.407 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.574 3.539 2.025 1.00 0.00 C ATOM 1067 C ASN B 67 -11.396 2.434 0.991 1.00 0.00 C ATOM 1068 O ASN B 67 -11.049 1.307 1.333 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.929 3.401 2.720 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.063 4.320 3.917 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.079 4.629 4.591 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.277 4.767 4.188 1.00 0.00 N ATOM 0 H ASN B 67 -12.336 5.353 1.307 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.785 3.440 2.771 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.724 3.620 2.007 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.065 2.368 3.042 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.425 5.392 4.980 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.066 4.487 3.605 1.00 0.00 H new ATOM 1079 N THR B 68 -11.616 2.774 -0.270 1.00 0.00 N ATOM 1080 CA THR B 68 -11.405 1.848 -1.370 1.00 0.00 C ATOM 1081 C THR B 68 -9.916 1.591 -1.523 1.00 0.00 C ATOM 1082 O THR B 68 -9.463 0.448 -1.616 1.00 0.00 O ATOM 1083 CB THR B 68 -11.981 2.432 -2.682 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.411 2.516 -2.596 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.586 1.602 -3.894 1.00 0.00 C ATOM 0 H THR B 68 -11.944 3.696 -0.558 1.00 0.00 H new ATOM 0 HA THR B 68 -11.918 0.910 -1.157 1.00 0.00 H new ATOM 0 HB THR B 68 -11.560 3.429 -2.810 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.768 2.888 -3.430 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.011 2.047 -4.794 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.500 1.577 -3.980 1.00 0.00 H new ATOM 0 HG23 THR B 68 -11.964 0.586 -3.778 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.165 2.677 -1.494 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.723 2.638 -1.626 1.00 0.00 C ATOM 1095 C VAL B 69 -7.090 1.843 -0.492 1.00 0.00 C ATOM 1096 O VAL B 69 -6.423 0.832 -0.728 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.161 4.067 -1.633 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.647 4.069 -1.677 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.730 4.832 -2.808 1.00 0.00 C ATOM 0 H VAL B 69 -9.543 3.617 -1.377 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.481 2.145 -2.567 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.459 4.557 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.284 5.097 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.257 3.550 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.309 3.562 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.329 5.846 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.455 4.331 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -8.816 4.871 -2.725 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.321 2.299 0.733 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.786 1.627 1.921 1.00 0.00 C ATOM 1111 C LYS B 70 -7.187 0.153 1.968 1.00 0.00 C ATOM 1112 O LYS B 70 -6.411 -0.686 2.419 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.239 2.319 3.210 1.00 0.00 C ATOM 1114 CG LYS B 70 -6.602 3.681 3.437 1.00 0.00 C ATOM 1115 CD LYS B 70 -6.765 4.139 4.882 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.225 4.357 5.251 1.00 0.00 C ATOM 1117 NZ LYS B 70 -8.390 4.700 6.690 1.00 0.00 N1+ ATOM 0 H LYS B 70 -7.875 3.131 0.935 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.700 1.691 1.848 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.323 2.435 3.186 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.006 1.674 4.058 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -5.542 3.635 3.186 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.056 4.412 2.769 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.330 3.395 5.549 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.211 5.065 5.033 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.639 5.157 4.638 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -8.795 3.456 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -9.369 5.005 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.179 3.865 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -7.738 5.471 6.940 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.386 -0.160 1.490 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.876 -1.535 1.490 1.00 0.00 C ATOM 1133 C PHE B 71 -7.970 -2.432 0.659 1.00 0.00 C ATOM 1134 O PHE B 71 -7.534 -3.491 1.114 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.307 -1.590 0.945 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.790 -2.979 0.629 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.233 -3.822 1.633 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.798 -3.439 -0.678 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.675 -5.097 1.338 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.237 -4.711 -0.978 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.677 -5.542 0.032 1.00 0.00 C ATOM 0 H PHE B 71 -9.038 0.519 1.097 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.873 -1.896 2.518 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -10.980 -1.140 1.675 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.364 -0.983 0.042 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.233 -3.480 2.657 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.456 -2.792 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -12.019 -5.746 2.130 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.237 -5.056 -2.001 1.00 0.00 H new ATOM 0 HZ PHE B 71 -12.022 -6.539 -0.199 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.688 -1.996 -0.560 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.865 -2.774 -1.475 1.00 0.00 C ATOM 1153 C HIS B 72 -5.419 -2.818 -1.000 1.00 0.00 C ATOM 1154 O HIS B 72 -4.747 -3.842 -1.126 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.929 -2.188 -2.885 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.300 -2.184 -3.482 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.104 -3.296 -3.547 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -9.015 -1.176 -4.022 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.257 -2.968 -4.098 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -10.228 -1.687 -4.397 1.00 0.00 N ATOM 0 H HIS B 72 -8.017 -1.108 -0.939 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.257 -3.791 -1.495 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.552 -1.165 -2.860 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -6.263 -2.757 -3.534 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -8.690 -0.153 -4.137 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.085 -3.638 -4.274 1.00 0.00 H new ATOM 0 HE2 HIS B 72 -10.984 -1.162 -4.836 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.949 -1.706 -0.446 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.584 -1.622 0.060 1.00 0.00 C ATOM 1171 C LEU B 73 -3.403 -2.523 1.277 1.00 0.00 C ATOM 1172 O LEU B 73 -2.342 -3.107 1.478 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.231 -0.178 0.421 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.250 0.820 -0.740 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.876 2.210 -0.248 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.308 0.377 -1.850 1.00 0.00 C ATOM 0 H LEU B 73 -5.493 -0.850 -0.336 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.911 -1.961 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.928 0.167 1.184 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.237 -0.167 0.869 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.261 0.854 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.894 2.909 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.590 2.532 0.509 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.875 2.186 0.184 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.338 1.101 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.292 0.311 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.618 -0.600 -2.222 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.445 -2.644 2.082 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.398 -3.507 3.252 1.00 0.00 C ATOM 1190 C ALA B 74 -4.271 -4.965 2.844 1.00 0.00 C ATOM 1191 O ALA B 74 -3.659 -5.764 3.552 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.627 -3.295 4.119 1.00 0.00 C ATOM 0 H ALA B 74 -5.332 -2.158 1.948 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.516 -3.243 3.836 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.575 -3.949 4.990 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.666 -2.256 4.447 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.523 -3.528 3.543 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.827 -5.301 1.688 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.747 -6.662 1.182 1.00 0.00 C ATOM 1200 C LYS B 75 -3.309 -7.024 0.835 1.00 0.00 C ATOM 1201 O LYS B 75 -2.930 -8.193 0.891 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.648 -6.853 -0.038 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.123 -6.643 0.261 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.009 -7.071 -0.898 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.951 -8.576 -1.120 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.866 -9.016 -2.202 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.336 -4.653 1.087 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.096 -7.329 1.971 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.341 -6.158 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.505 -7.859 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.396 -7.208 1.153 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.301 -5.591 0.483 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -9.038 -6.771 -0.700 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.696 -6.556 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -6.930 -8.866 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.212 -9.089 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.794 -10.047 -2.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.844 -8.763 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.602 -8.547 -3.092 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.502 -6.023 0.489 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.101 -6.273 0.180 1.00 0.00 C ATOM 1222 C VAL B 76 -0.291 -6.326 1.470 1.00 0.00 C ATOM 1223 O VAL B 76 0.653 -7.102 1.585 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.497 -5.232 -0.804 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.510 -4.862 -1.876 1.00 0.00 C ATOM 1226 CG2 VAL B 76 0.015 -3.986 -0.089 1.00 0.00 C ATOM 0 H VAL B 76 -2.790 -5.047 0.417 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.051 -7.236 -0.328 1.00 0.00 H new ATOM 0 HB VAL B 76 0.365 -5.700 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.070 -4.132 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.791 -5.755 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.396 -4.433 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.427 -3.290 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.807 -3.508 0.443 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.792 -4.268 0.622 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.691 -5.521 2.457 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.053 -5.537 3.768 1.00 0.00 C ATOM 1238 C TYR B 77 -0.182 -6.922 4.392 1.00 0.00 C ATOM 1239 O TYR B 77 0.765 -7.445 4.983 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.681 -4.475 4.679 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.232 -4.552 6.122 1.00 0.00 C ATOM 1242 CD1 TYR B 77 1.104 -4.753 6.451 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.147 -4.419 7.159 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.512 -4.824 7.767 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.745 -4.488 8.478 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.585 -4.691 8.776 1.00 0.00 C ATOM 1247 OH TYR B 77 0.992 -4.753 10.089 1.00 0.00 O ATOM 0 H TYR B 77 -1.455 -4.851 2.369 1.00 0.00 H new ATOM 0 HA TYR B 77 1.005 -5.304 3.650 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.439 -3.487 4.287 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.766 -4.576 4.642 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.835 -4.855 5.663 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.190 -4.259 6.929 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.553 -4.983 8.004 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.469 -4.383 9.272 1.00 0.00 H new ATOM 0 HH TYR B 77 0.217 -4.640 10.678 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.357 -7.512 4.233 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.613 -8.862 4.715 1.00 0.00 C ATOM 1259 C ARG B 78 -0.628 -9.839 4.094 1.00 0.00 C ATOM 1260 O ARG B 78 -0.166 -10.775 4.742 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.036 -9.276 4.381 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.075 -8.423 5.075 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.475 -8.909 4.770 1.00 0.00 C ATOM 1264 NE ARG B 78 -6.498 -8.137 5.471 1.00 0.00 N ATOM 1265 CZ ARG B 78 -7.777 -8.101 5.105 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -8.170 -8.717 3.997 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -8.658 -7.431 5.833 1.00 0.00 N ATOM 0 H ARG B 78 -2.154 -7.074 3.771 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.486 -8.875 5.797 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.184 -9.214 3.303 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.182 -10.319 4.663 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.906 -8.444 6.152 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -3.970 -7.386 4.756 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.651 -8.850 3.696 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.561 -9.959 5.050 1.00 0.00 H new ATOM 0 HE ARG B 78 -6.216 -7.595 6.288 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.491 -9.219 3.425 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -9.151 -8.688 3.718 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -8.356 -6.942 6.676 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -9.638 -7.405 5.551 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.306 -9.594 2.835 1.00 0.00 N ATOM 1282 CA ILE B 79 0.654 -10.412 2.107 1.00 0.00 C ATOM 1283 C ILE B 79 2.041 -10.312 2.727 1.00 0.00 C ATOM 1284 O ILE B 79 2.634 -11.327 3.079 1.00 0.00 O ATOM 1285 CB ILE B 79 0.739 -10.005 0.626 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.620 -10.170 -0.046 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.793 -10.831 -0.098 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.637 -9.687 -1.473 1.00 0.00 C ATOM 0 H ILE B 79 -0.699 -8.827 2.290 1.00 0.00 H new ATOM 0 HA ILE B 79 0.300 -11.441 2.171 1.00 0.00 H new ATOM 0 HB ILE B 79 1.030 -8.956 0.573 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.905 -11.222 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.370 -9.623 0.525 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.838 -10.528 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.765 -10.670 0.368 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.532 -11.888 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.632 -9.832 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.382 -8.628 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.090 -10.251 -2.057 1.00 0.00 H new ATOM 1300 N LEU B 80 2.553 -9.089 2.870 1.00 0.00 N ATOM 1301 CA LEU B 80 3.884 -8.888 3.443 1.00 0.00 C ATOM 1302 C LEU B 80 3.977 -9.517 4.827 1.00 0.00 C ATOM 1303 O LEU B 80 5.045 -9.967 5.241 1.00 0.00 O ATOM 1304 CB LEU B 80 4.263 -7.400 3.525 1.00 0.00 C ATOM 1305 CG LEU B 80 4.691 -6.733 2.208 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.586 -7.653 1.392 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.484 -6.292 1.403 1.00 0.00 C ATOM 0 H LEU B 80 2.072 -8.231 2.600 1.00 0.00 H new ATOM 0 HA LEU B 80 4.591 -9.378 2.773 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.410 -6.851 3.925 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.076 -7.293 4.243 1.00 0.00 H new ATOM 0 HG LEU B 80 5.269 -5.843 2.458 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.873 -7.154 0.466 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.480 -7.894 1.967 1.00 0.00 H new ATOM 0 HD13 LEU B 80 5.047 -8.571 1.158 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.816 -5.823 0.477 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.866 -7.159 1.170 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.902 -5.576 1.983 1.00 0.00 H new ATOM 1319 N SER B 81 2.858 -9.561 5.535 1.00 0.00 N ATOM 1320 CA SER B 81 2.825 -10.194 6.837 1.00 0.00 C ATOM 1321 C SER B 81 2.810 -11.715 6.677 1.00 0.00 C ATOM 1322 O SER B 81 3.660 -12.404 7.237 1.00 0.00 O ATOM 1323 CB SER B 81 1.595 -9.721 7.619 1.00 0.00 C ATOM 1324 OG SER B 81 1.580 -10.252 8.933 1.00 0.00 O ATOM 0 H SER B 81 1.968 -9.167 5.229 1.00 0.00 H new ATOM 0 HA SER B 81 3.718 -9.913 7.395 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.588 -8.632 7.665 1.00 0.00 H new ATOM 0 HB3 SER B 81 0.689 -10.023 7.093 1.00 0.00 H new ATOM 0 HG SER B 81 0.784 -9.931 9.407 1.00 0.00 H new ATOM 1509 N LEU B 96 9.889 -13.656 -1.032 1.00 0.00 N ATOM 1510 CA LEU B 96 8.855 -14.145 -1.933 1.00 0.00 C ATOM 1511 C LEU B 96 7.535 -13.430 -1.662 1.00 0.00 C ATOM 1512 O LEU B 96 6.716 -13.260 -2.566 1.00 0.00 O ATOM 1513 CB LEU B 96 8.722 -15.678 -1.827 1.00 0.00 C ATOM 1514 CG LEU B 96 7.857 -16.238 -0.694 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.384 -16.239 -1.078 1.00 0.00 C ATOM 1516 CD2 LEU B 96 8.310 -17.646 -0.348 1.00 0.00 C ATOM 0 HA LEU B 96 9.142 -13.920 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.319 -16.046 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.723 -16.096 -1.723 1.00 0.00 H new ATOM 0 HG LEU B 96 7.977 -15.596 0.179 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.794 -16.642 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU B 96 6.063 -15.219 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.239 -16.857 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU B 96 7.691 -18.039 0.459 1.00 0.00 H new ATOM 0 HD22 LEU B 96 8.212 -18.286 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU B 96 9.352 -17.625 -0.029 1.00 0.00 H new ATOM 1528 N GLN B 97 7.336 -13.000 -0.419 1.00 0.00 N ATOM 1529 CA GLN B 97 6.139 -12.245 -0.059 1.00 0.00 C ATOM 1530 C GLN B 97 6.056 -10.944 -0.849 1.00 0.00 C ATOM 1531 O GLN B 97 4.964 -10.495 -1.197 1.00 0.00 O ATOM 1532 CB GLN B 97 6.099 -11.934 1.439 1.00 0.00 C ATOM 1533 CG GLN B 97 5.862 -13.151 2.324 1.00 0.00 C ATOM 1534 CD GLN B 97 4.592 -13.904 1.969 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.488 -15.109 2.183 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.617 -13.203 1.424 1.00 0.00 N ATOM 0 H GLN B 97 7.984 -13.160 0.352 1.00 0.00 H new ATOM 0 HA GLN B 97 5.282 -12.871 -0.307 1.00 0.00 H new ATOM 0 HB2 GLN B 97 7.041 -11.467 1.727 1.00 0.00 H new ATOM 0 HB3 GLN B 97 5.312 -11.204 1.626 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.714 -13.826 2.240 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.810 -12.832 3.365 1.00 0.00 H new ATOM 0 HE21 GLN B 97 3.737 -12.203 1.260 1.00 0.00 H new ATOM 0 HE22 GLN B 97 2.743 -13.660 1.166 1.00 0.00 H new ATOM 1545 N LYS B 98 7.209 -10.347 -1.129 1.00 0.00 N ATOM 1546 CA LYS B 98 7.258 -9.121 -1.920 1.00 0.00 C ATOM 1547 C LYS B 98 6.713 -9.361 -3.321 1.00 0.00 C ATOM 1548 O LYS B 98 6.045 -8.500 -3.886 1.00 0.00 O ATOM 1549 CB LYS B 98 8.682 -8.562 -2.005 1.00 0.00 C ATOM 1550 CG LYS B 98 9.085 -7.692 -0.820 1.00 0.00 C ATOM 1551 CD LYS B 98 9.201 -8.492 0.463 1.00 0.00 C ATOM 1552 CE LYS B 98 9.596 -7.613 1.638 1.00 0.00 C ATOM 1553 NZ LYS B 98 9.798 -8.404 2.881 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.119 -10.690 -0.822 1.00 0.00 H new ATOM 0 HA LYS B 98 6.632 -8.385 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.382 -9.393 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.776 -7.976 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.039 -7.210 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.349 -6.899 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.249 -8.979 0.676 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.941 -9.282 0.334 1.00 0.00 H new ATOM 0 HE2 LYS B 98 10.513 -7.076 1.397 1.00 0.00 H new ATOM 0 HE3 LYS B 98 8.823 -6.864 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.066 -7.767 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 8.916 -8.897 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.554 -9.102 2.729 1.00 0.00 H new ATOM 1567 N GLU B 99 6.984 -10.541 -3.868 1.00 0.00 N ATOM 1568 CA GLU B 99 6.482 -10.902 -5.187 1.00 0.00 C ATOM 1569 C GLU B 99 4.963 -10.865 -5.187 1.00 0.00 C ATOM 1570 O GLU B 99 4.344 -10.134 -5.961 1.00 0.00 O ATOM 1571 CB GLU B 99 6.953 -12.304 -5.575 1.00 0.00 C ATOM 1572 CG GLU B 99 6.664 -12.672 -7.019 1.00 0.00 C ATOM 1573 CD GLU B 99 7.361 -11.758 -8.001 1.00 0.00 C ATOM 1574 OE1 GLU B 99 8.556 -11.985 -8.282 1.00 0.00 O1- ATOM 1575 OE2 GLU B 99 6.720 -10.814 -8.497 1.00 0.00 O ATOM 0 H GLU B 99 7.548 -11.262 -3.418 1.00 0.00 H new ATOM 0 HA GLU B 99 6.868 -10.185 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.026 -12.378 -5.399 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.472 -13.032 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU B 99 6.979 -13.700 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU B 99 5.589 -12.633 -7.192 1.00 0.00 H new ATOM 1582 N LEU B 100 4.371 -11.650 -4.293 1.00 0.00 N ATOM 1583 CA LEU B 100 2.921 -11.735 -4.182 1.00 0.00 C ATOM 1584 C LEU B 100 2.316 -10.367 -3.894 1.00 0.00 C ATOM 1585 O LEU B 100 1.238 -10.037 -4.387 1.00 0.00 O ATOM 1586 CB LEU B 100 2.512 -12.728 -3.083 1.00 0.00 C ATOM 1587 CG LEU B 100 2.555 -14.217 -3.463 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.634 -14.500 -4.639 1.00 0.00 C ATOM 1589 CD2 LEU B 100 3.974 -14.669 -3.778 1.00 0.00 C ATOM 0 H LEU B 100 4.877 -12.239 -3.632 1.00 0.00 H new ATOM 0 HA LEU B 100 2.538 -12.093 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.164 -12.575 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.499 -12.486 -2.762 1.00 0.00 H new ATOM 0 HG LEU B 100 2.205 -14.787 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.680 -15.560 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.611 -14.235 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU B 100 1.949 -13.909 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU B 100 3.969 -15.726 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.364 -14.088 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.607 -14.517 -2.904 1.00 0.00 H new ATOM 1601 N ALA B 101 3.027 -9.570 -3.103 1.00 0.00 N ATOM 1602 CA ALA B 101 2.587 -8.224 -2.777 1.00 0.00 C ATOM 1603 C ALA B 101 2.497 -7.365 -4.038 1.00 0.00 C ATOM 1604 O ALA B 101 1.456 -6.771 -4.317 1.00 0.00 O ATOM 1605 CB ALA B 101 3.523 -7.594 -1.752 1.00 0.00 C ATOM 0 H ALA B 101 3.914 -9.837 -2.676 1.00 0.00 H new ATOM 0 HA ALA B 101 1.590 -8.281 -2.339 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.181 -6.586 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.526 -8.196 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.532 -7.548 -2.161 1.00 0.00 H new ATOM 1611 N VAL B 102 3.579 -7.331 -4.816 1.00 0.00 N ATOM 1612 CA VAL B 102 3.612 -6.554 -6.057 1.00 0.00 C ATOM 1613 C VAL B 102 2.553 -7.056 -7.040 1.00 0.00 C ATOM 1614 O VAL B 102 1.982 -6.278 -7.812 1.00 0.00 O ATOM 1615 CB VAL B 102 5.007 -6.605 -6.730 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.024 -5.809 -8.027 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.080 -6.085 -5.791 1.00 0.00 C ATOM 0 H VAL B 102 4.444 -7.831 -4.610 1.00 0.00 H new ATOM 0 HA VAL B 102 3.397 -5.519 -5.791 1.00 0.00 H new ATOM 0 HB VAL B 102 5.218 -7.649 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.016 -5.864 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.290 -6.224 -8.718 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.778 -4.768 -7.818 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.050 -6.131 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.858 -5.052 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.103 -6.698 -4.890 1.00 0.00 H new ATOM 1627 N ASN B 103 2.279 -8.357 -6.994 1.00 0.00 N ATOM 1628 CA ASN B 103 1.264 -8.966 -7.850 1.00 0.00 C ATOM 1629 C ASN B 103 -0.104 -8.322 -7.638 1.00 0.00 C ATOM 1630 O ASN B 103 -0.912 -8.241 -8.564 1.00 0.00 O ATOM 1631 CB ASN B 103 1.169 -10.473 -7.593 1.00 0.00 C ATOM 1632 CG ASN B 103 2.103 -11.286 -8.472 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.731 -11.706 -9.569 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.317 -11.515 -8.001 1.00 0.00 N ATOM 0 H ASN B 103 2.748 -9.013 -6.370 1.00 0.00 H new ATOM 0 HA ASN B 103 1.569 -8.798 -8.883 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.399 -10.672 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.143 -10.801 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.984 -12.057 -8.551 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.587 -11.150 -7.088 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.358 -7.848 -6.424 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.621 -7.201 -6.110 1.00 0.00 C ATOM 1643 C TYR B 104 -1.634 -5.766 -6.617 1.00 0.00 C ATOM 1644 O TYR B 104 -2.627 -5.314 -7.184 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.891 -7.232 -4.605 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.588 -8.491 -4.131 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.190 -9.749 -4.570 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.654 -8.416 -3.243 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.834 -10.893 -4.136 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.301 -9.553 -2.805 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.889 -10.789 -3.253 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.534 -11.925 -2.815 1.00 0.00 O ATOM 0 H TYR B 104 0.295 -7.901 -5.643 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.413 -7.754 -6.614 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.944 -7.131 -4.074 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.500 -6.369 -4.337 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.364 -9.834 -5.261 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -3.982 -7.450 -2.889 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.513 -11.863 -4.486 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.127 -9.475 -2.114 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.252 -11.676 -2.197 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.526 -5.055 -6.437 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.439 -3.672 -6.902 1.00 0.00 C ATOM 1664 C LEU B 105 -0.605 -3.598 -8.413 1.00 0.00 C ATOM 1665 O LEU B 105 -1.191 -2.654 -8.930 1.00 0.00 O ATOM 1666 CB LEU B 105 0.886 -3.013 -6.501 1.00 0.00 C ATOM 1667 CG LEU B 105 1.000 -2.559 -5.039 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.177 -1.677 -4.653 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.100 -3.749 -4.106 1.00 0.00 C ATOM 0 H LEU B 105 0.315 -5.406 -5.979 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.250 -3.126 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.694 -3.715 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.046 -2.147 -7.143 1.00 0.00 H new ATOM 0 HG LEU B 105 1.914 -1.974 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.074 -1.368 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.196 -0.795 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.105 -2.235 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.180 -3.399 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.210 -4.369 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU B 105 1.983 -4.336 -4.359 1.00 0.00 H new ATOM 1681 N ASN B 106 -0.104 -4.607 -9.114 1.00 0.00 N ATOM 1682 CA ASN B 106 -0.226 -4.656 -10.569 1.00 0.00 C ATOM 1683 C ASN B 106 -1.687 -4.696 -11.004 1.00 0.00 C ATOM 1684 O ASN B 106 -2.046 -4.147 -12.045 1.00 0.00 O ATOM 1685 CB ASN B 106 0.526 -5.856 -11.148 1.00 0.00 C ATOM 1686 CG ASN B 106 1.989 -5.553 -11.410 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.350 -5.066 -12.480 1.00 0.00 O ATOM 1688 ND2 ASN B 106 2.843 -5.836 -10.441 1.00 0.00 N ATOM 0 H ASN B 106 0.389 -5.400 -8.703 1.00 0.00 H new ATOM 0 HA ASN B 106 0.224 -3.743 -10.959 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.450 -6.696 -10.457 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.050 -6.165 -12.079 1.00 0.00 H new ATOM 0 HD21 ASN B 106 3.838 -5.651 -10.568 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.507 -6.239 -9.567 1.00 0.00 H new ATOM 1695 N THR B 107 -2.535 -5.324 -10.197 1.00 0.00 N ATOM 1696 CA THR B 107 -3.956 -5.402 -10.512 1.00 0.00 C ATOM 1697 C THR B 107 -4.673 -4.121 -10.094 1.00 0.00 C ATOM 1698 O THR B 107 -5.859 -3.941 -10.383 1.00 0.00 O ATOM 1699 CB THR B 107 -4.636 -6.611 -9.830 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.609 -6.470 -8.402 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.950 -7.910 -10.222 1.00 0.00 C ATOM 0 H THR B 107 -2.266 -5.783 -9.327 1.00 0.00 H new ATOM 0 HA THR B 107 -4.032 -5.530 -11.592 1.00 0.00 H new ATOM 0 HB THR B 107 -5.672 -6.641 -10.167 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.913 -5.828 -8.150 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.446 -8.746 -9.730 1.00 0.00 H new ATOM 0 HG22 THR B 107 -4.007 -8.040 -11.303 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.905 -7.877 -9.915 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.944 -3.232 -9.417 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.521 -1.996 -8.909 1.00 0.00 C ATOM 1711 C LEU B 108 -4.006 -0.779 -9.665 1.00 0.00 C ATOM 1712 O LEU B 108 -4.430 0.346 -9.404 1.00 0.00 O ATOM 1713 CB LEU B 108 -4.207 -1.826 -7.428 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.704 -2.941 -6.526 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -4.278 -2.689 -5.092 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -6.218 -3.068 -6.631 1.00 0.00 C ATOM 0 H LEU B 108 -2.952 -3.349 -9.210 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.599 -2.067 -9.054 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -3.127 -1.740 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.640 -0.886 -7.088 1.00 0.00 H new ATOM 0 HG LEU B 108 -4.260 -3.882 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.642 -3.497 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -3.190 -2.646 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.696 -1.742 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.562 -3.871 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.684 -2.130 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -6.494 -3.294 -7.661 1.00 0.00 H new ATOM 1728 N ARG B 109 -3.098 -1.005 -10.599 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.536 0.083 -11.382 1.00 0.00 C ATOM 1730 C ARG B 109 -3.034 0.008 -12.820 1.00 0.00 C ATOM 1731 O ARG B 109 -3.889 -0.824 -13.128 1.00 0.00 O ATOM 1732 CB ARG B 109 -1.009 0.045 -11.324 1.00 0.00 C ATOM 1733 CG ARG B 109 -0.462 0.151 -9.909 1.00 0.00 C ATOM 1734 CD ARG B 109 1.054 0.197 -9.890 1.00 0.00 C ATOM 1735 NE ARG B 109 1.568 1.442 -10.451 1.00 0.00 N ATOM 1736 CZ ARG B 109 2.824 1.861 -10.314 1.00 0.00 C ATOM 1737 NH1 ARG B 109 3.715 1.130 -9.657 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 3.185 3.025 -10.824 1.00 0.00 N ATOM 0 H ARG B 109 -2.735 -1.929 -10.833 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.865 1.032 -10.959 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.657 -0.883 -11.774 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.608 0.862 -11.924 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -0.858 1.048 -9.433 1.00 0.00 H new ATOM 0 HG3 ARG B 109 -0.807 -0.700 -9.322 1.00 0.00 H new ATOM 0 HD2 ARG B 109 1.408 0.088 -8.865 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.450 -0.647 -10.455 1.00 0.00 H new ATOM 0 HE ARG B 109 0.924 2.028 -10.982 1.00 0.00 H new ATOM 0 HH11 ARG B 109 3.441 0.236 -9.250 1.00 0.00 H new ATOM 0 HH12 ARG B 109 4.674 1.462 -9.559 1.00 0.00 H new ATOM 0 HH21 ARG B 109 2.502 3.598 -11.320 1.00 0.00 H new ATOM 0 HH22 ARG B 109 4.146 3.351 -10.722 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.512 0.869 -13.692 1.00 0.00 N ATOM 1753 CA TYR B 110 -2.972 0.934 -15.081 1.00 0.00 C ATOM 1754 C TYR B 110 -2.960 -0.440 -15.746 1.00 0.00 C ATOM 1755 O TYR B 110 -1.905 -1.054 -15.918 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.121 1.909 -15.899 1.00 0.00 C ATOM 1757 CG TYR B 110 -2.325 3.362 -15.535 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -3.602 3.892 -15.394 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -1.239 4.208 -15.345 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -3.792 5.220 -15.069 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -1.422 5.539 -15.020 1.00 0.00 C ATOM 1762 CZ TYR B 110 -2.701 6.039 -14.883 1.00 0.00 C ATOM 1763 OH TYR B 110 -2.889 7.363 -14.554 1.00 0.00 O ATOM 0 H TYR B 110 -1.771 1.531 -13.463 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.000 1.294 -15.056 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -1.069 1.656 -15.766 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -2.349 1.775 -16.956 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -4.461 3.254 -15.541 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -0.237 3.820 -15.453 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -4.792 5.615 -14.961 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -0.568 6.184 -14.874 1.00 0.00 H new ATOM 0 HH TYR B 110 -2.019 7.803 -14.457 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.140 -0.907 -16.128 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.258 -2.198 -16.772 1.00 0.00 C ATOM 1775 C GLY B 111 -4.548 -3.315 -15.791 1.00 0.00 C ATOM 1776 O GLY B 111 -4.110 -4.451 -15.985 1.00 0.00 O ATOM 0 H GLY B 111 -5.022 -0.411 -16.002 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.054 -2.157 -17.516 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.334 -2.419 -17.306 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.280 -2.999 -14.731 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.656 -4.007 -13.769 1.00 0.00 C ATOM 1782 C GLY B 112 -7.101 -4.425 -13.921 1.00 0.00 C ATOM 1783 O GLY B 112 -7.718 -4.198 -14.963 1.00 0.00 O ATOM 0 H GLY B 112 -5.619 -2.060 -14.523 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -5.012 -4.879 -13.887 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.493 -3.625 -12.761 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.647 -5.010 -12.872 1.00 0.00 N ATOM 1788 CA ILE B 113 -9.012 -5.522 -12.901 1.00 0.00 C ATOM 1789 C ILE B 113 -9.907 -4.768 -11.928 1.00 0.00 C ATOM 1790 O ILE B 113 -11.076 -4.517 -12.211 1.00 0.00 O ATOM 1791 CB ILE B 113 -9.057 -7.028 -12.582 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -8.220 -7.337 -11.336 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.566 -7.826 -13.778 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -8.231 -8.795 -10.937 1.00 0.00 C ATOM 0 H ILE B 113 -7.166 -5.145 -11.982 1.00 0.00 H new ATOM 0 HA ILE B 113 -9.385 -5.368 -13.914 1.00 0.00 H new ATOM 0 HB ILE B 113 -10.088 -7.316 -12.374 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -7.190 -7.027 -11.516 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.592 -6.740 -10.503 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -8.601 -8.890 -13.544 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -9.204 -7.622 -14.638 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.541 -7.539 -14.011 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -7.617 -8.933 -10.047 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -9.254 -9.106 -10.724 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -7.831 -9.398 -11.752 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.356 -4.426 -10.772 1.00 0.00 N ATOM 1807 CA HIS B 114 -10.060 -3.607 -9.796 1.00 0.00 C ATOM 1808 C HIS B 114 -9.199 -2.403 -9.471 1.00 0.00 C ATOM 1809 O HIS B 114 -9.087 -1.989 -8.317 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.341 -4.395 -8.511 1.00 0.00 C ATOM 1811 CG HIS B 114 -11.013 -5.713 -8.733 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.552 -6.887 -8.179 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -12.117 -6.041 -9.440 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -11.346 -7.877 -8.534 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -12.305 -7.392 -9.300 1.00 0.00 N ATOM 0 H HIS B 114 -8.418 -4.705 -10.486 1.00 0.00 H new ATOM 0 HA HIS B 114 -11.016 -3.296 -10.217 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.399 -4.564 -7.989 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.965 -3.788 -7.855 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.737 -5.364 -10.010 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -11.231 -8.912 -8.246 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -13.061 -7.933 -9.719 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.583 -1.852 -10.502 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.582 -0.828 -10.319 1.00 0.00 C ATOM 1826 C TYR B 115 -8.223 0.531 -10.120 1.00 0.00 C ATOM 1827 O TYR B 115 -9.232 0.863 -10.746 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.588 -0.833 -11.491 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.845 0.174 -12.589 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.323 1.458 -12.507 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.573 -0.168 -13.716 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -6.527 2.376 -13.515 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.777 0.740 -14.735 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.253 2.013 -14.628 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.444 2.919 -15.646 1.00 0.00 O ATOM 0 H TYR B 115 -8.762 -2.100 -11.475 1.00 0.00 H new ATOM 0 HA TYR B 115 -7.020 -1.048 -9.411 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.588 -0.658 -11.093 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.585 -1.829 -11.934 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -5.747 1.742 -11.639 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -7.988 -1.162 -13.799 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.120 3.373 -13.433 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.343 0.457 -15.610 1.00 0.00 H new ATOM 0 HH TYR B 115 -7.976 2.505 -16.357 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.638 1.306 -9.226 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.173 2.609 -8.887 1.00 0.00 C ATOM 1847 C ASN B 116 -7.169 3.680 -9.271 1.00 0.00 C ATOM 1848 O ASN B 116 -5.958 3.458 -9.207 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.459 2.713 -7.387 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.238 1.538 -6.826 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -9.038 1.156 -5.677 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -10.132 0.964 -7.618 1.00 0.00 N ATOM 0 H ASN B 116 -6.789 1.053 -8.720 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.107 2.748 -9.432 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.513 2.798 -6.852 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -9.016 3.630 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.683 0.176 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.269 1.311 -8.567 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.675 4.840 -9.654 1.00 0.00 N ATOM 1860 CA GLU B 117 -6.826 5.962 -10.022 1.00 0.00 C ATOM 1861 C GLU B 117 -5.989 6.420 -8.832 1.00 0.00 C ATOM 1862 O GLU B 117 -4.877 6.919 -9.003 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.680 7.119 -10.547 1.00 0.00 C ATOM 1864 CG GLU B 117 -8.740 7.580 -9.563 1.00 0.00 C ATOM 1865 CD GLU B 117 -9.617 8.681 -10.112 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -9.237 9.863 -9.993 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -10.696 8.370 -10.656 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.675 5.031 -9.719 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.148 5.637 -10.811 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -7.030 7.960 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.164 6.812 -11.474 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.364 6.731 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.254 7.930 -8.652 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.517 6.221 -7.623 1.00 0.00 N ATOM 1875 CA ALA B 118 -5.830 6.650 -6.416 1.00 0.00 C ATOM 1876 C ALA B 118 -4.688 5.709 -6.065 1.00 0.00 C ATOM 1877 O ALA B 118 -3.718 6.123 -5.443 1.00 0.00 O ATOM 1878 CB ALA B 118 -6.798 6.763 -5.249 1.00 0.00 C ATOM 0 H ALA B 118 -7.415 5.767 -7.460 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.409 7.636 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.258 7.086 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.572 7.492 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.258 5.793 -5.063 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.795 4.444 -6.467 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.721 3.487 -6.218 1.00 0.00 C ATOM 1886 C ILE B 119 -2.515 3.833 -7.078 1.00 0.00 C ATOM 1887 O ILE B 119 -1.375 3.810 -6.611 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.137 2.027 -6.508 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.335 1.616 -5.643 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -2.953 1.093 -6.265 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -5.001 1.436 -4.178 1.00 0.00 C ATOM 0 H ILE B 119 -5.603 4.062 -6.960 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.478 3.558 -5.158 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.439 1.952 -7.553 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.115 2.372 -5.737 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.746 0.683 -6.029 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.252 0.065 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.130 1.370 -6.923 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.631 1.176 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.899 1.146 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.244 0.659 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.619 2.373 -3.774 1.00 0.00 H new ATOM 1903 N GLU B 120 -2.777 4.166 -8.334 1.00 0.00 N ATOM 1904 CA GLU B 120 -1.721 4.574 -9.244 1.00 0.00 C ATOM 1905 C GLU B 120 -1.080 5.864 -8.745 1.00 0.00 C ATOM 1906 O GLU B 120 0.142 5.970 -8.672 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.272 4.758 -10.658 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.213 5.120 -11.688 1.00 0.00 C ATOM 1909 CD GLU B 120 -0.127 4.067 -11.824 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -0.444 2.918 -12.194 1.00 0.00 O ATOM 1911 OE2 GLU B 120 1.053 4.386 -11.579 1.00 0.00 O1- ATOM 0 H GLU B 120 -3.711 4.161 -8.744 1.00 0.00 H new ATOM 0 HA GLU B 120 -0.961 3.793 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -2.767 3.837 -10.968 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.032 5.539 -10.643 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.692 5.266 -12.656 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -0.756 6.070 -11.412 1.00 0.00 H new ATOM 1918 N GLU B 121 -1.914 6.833 -8.366 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.413 8.090 -7.819 1.00 0.00 C ATOM 1920 C GLU B 121 -0.649 7.843 -6.528 1.00 0.00 C ATOM 1921 O GLU B 121 0.365 8.484 -6.273 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.551 9.078 -7.568 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.199 9.597 -8.838 1.00 0.00 C ATOM 1924 CD GLU B 121 -2.197 10.210 -9.795 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -1.641 11.286 -9.480 1.00 0.00 O ATOM 1926 OE2 GLU B 121 -1.975 9.631 -10.876 1.00 0.00 O1- ATOM 0 H GLU B 121 -2.930 6.771 -8.428 1.00 0.00 H new ATOM 0 HA GLU B 121 -0.738 8.525 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.311 8.595 -6.954 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.168 9.922 -6.995 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -3.719 8.779 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -3.951 10.342 -8.579 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.140 6.906 -5.721 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.465 6.520 -4.490 1.00 0.00 C ATOM 1935 C PHE B 122 0.956 6.098 -4.801 1.00 0.00 C ATOM 1936 O PHE B 122 1.910 6.600 -4.213 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.213 5.368 -3.813 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.619 4.941 -2.498 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -0.974 5.582 -1.322 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.292 3.898 -2.438 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.429 5.193 -0.113 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.839 3.505 -1.233 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.478 4.153 -0.069 1.00 0.00 C ATOM 0 H PHE B 122 -2.007 6.399 -5.901 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.450 7.373 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.249 5.666 -3.652 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.229 4.512 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.685 6.395 -1.350 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.577 3.386 -3.345 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.712 5.702 0.796 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.549 2.691 -1.201 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.904 3.847 0.875 1.00 0.00 H new ATOM 1953 N CYS B 123 1.079 5.182 -5.751 1.00 0.00 N ATOM 1954 CA CYS B 123 2.375 4.706 -6.194 1.00 0.00 C ATOM 1955 C CYS B 123 3.215 5.863 -6.724 1.00 0.00 C ATOM 1956 O CYS B 123 4.357 6.051 -6.306 1.00 0.00 O ATOM 1957 CB CYS B 123 2.198 3.642 -7.279 1.00 0.00 C ATOM 1958 SG CYS B 123 1.162 2.244 -6.779 1.00 0.00 S ATOM 0 H CYS B 123 0.288 4.753 -6.231 1.00 0.00 H new ATOM 0 HA CYS B 123 2.894 4.263 -5.344 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.760 4.108 -8.162 1.00 0.00 H new ATOM 0 HB3 CYS B 123 3.180 3.268 -7.570 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.015 2.677 -6.437 1.00 0.00 H new ATOM 1964 N GLN B 124 2.621 6.662 -7.605 1.00 0.00 N ATOM 1965 CA GLN B 124 3.336 7.746 -8.276 1.00 0.00 C ATOM 1966 C GLN B 124 3.839 8.785 -7.281 1.00 0.00 C ATOM 1967 O GLN B 124 5.023 9.114 -7.271 1.00 0.00 O ATOM 1968 CB GLN B 124 2.441 8.426 -9.316 1.00 0.00 C ATOM 1969 CG GLN B 124 2.088 7.544 -10.503 1.00 0.00 C ATOM 1970 CD GLN B 124 3.305 7.104 -11.297 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.313 7.810 -11.367 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.210 5.942 -11.913 1.00 0.00 N ATOM 0 H GLN B 124 1.640 6.579 -7.873 1.00 0.00 H new ATOM 0 HA GLN B 124 4.196 7.302 -8.777 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.520 8.750 -8.831 1.00 0.00 H new ATOM 0 HB3 GLN B 124 2.942 9.323 -9.680 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.554 6.662 -10.148 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.408 8.085 -11.161 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.357 5.388 -11.829 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.989 5.597 -12.473 1.00 0.00 H new ATOM 1981 N ILE B 125 2.938 9.287 -6.449 1.00 0.00 N ATOM 1982 CA ILE B 125 3.266 10.323 -5.476 1.00 0.00 C ATOM 1983 C ILE B 125 4.251 9.811 -4.432 1.00 0.00 C ATOM 1984 O ILE B 125 5.193 10.507 -4.057 1.00 0.00 O ATOM 1985 CB ILE B 125 1.988 10.833 -4.776 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.082 11.523 -5.797 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.327 11.779 -3.628 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.317 11.776 -5.292 1.00 0.00 C ATOM 0 H ILE B 125 1.962 8.990 -6.428 1.00 0.00 H new ATOM 0 HA ILE B 125 3.733 11.146 -6.018 1.00 0.00 H new ATOM 0 HB ILE B 125 1.460 9.979 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.532 12.473 -6.086 1.00 0.00 H new ATOM 0 HG13 ILE B 125 1.029 10.909 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.407 12.121 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE B 125 2.940 11.256 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE B 125 2.877 12.637 -4.014 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.901 12.268 -6.070 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.786 10.828 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.275 12.416 -4.410 1.00 0.00 H new ATOM 2000 N LEU B 126 4.039 8.586 -3.976 1.00 0.00 N ATOM 2001 CA LEU B 126 4.899 8.001 -2.961 1.00 0.00 C ATOM 2002 C LEU B 126 6.302 7.771 -3.508 1.00 0.00 C ATOM 2003 O LEU B 126 7.286 8.214 -2.913 1.00 0.00 O ATOM 2004 CB LEU B 126 4.315 6.687 -2.449 1.00 0.00 C ATOM 2005 CG LEU B 126 5.095 6.041 -1.312 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.253 7.015 -0.164 1.00 0.00 C ATOM 2007 CD2 LEU B 126 4.409 4.767 -0.858 1.00 0.00 C ATOM 0 H LEU B 126 3.282 7.980 -4.292 1.00 0.00 H new ATOM 0 HA LEU B 126 4.960 8.703 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.293 6.866 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.260 5.983 -3.279 1.00 0.00 H new ATOM 0 HG LEU B 126 6.090 5.778 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.812 6.540 0.642 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.791 7.898 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.269 7.309 0.202 1.00 0.00 H new ATOM 0 HD21 LEU B 126 4.979 4.317 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU B 126 3.402 5.000 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.352 4.067 -1.692 1.00 0.00 H new ATOM 2019 N LEU B 127 6.397 7.104 -4.656 1.00 0.00 N ATOM 2020 CA LEU B 127 7.697 6.794 -5.230 1.00 0.00 C ATOM 2021 C LEU B 127 8.386 8.082 -5.662 1.00 0.00 C ATOM 2022 O LEU B 127 9.614 8.158 -5.708 1.00 0.00 O ATOM 2023 CB LEU B 127 7.572 5.812 -6.412 1.00 0.00 C ATOM 2024 CG LEU B 127 7.129 6.413 -7.758 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.328 6.912 -8.555 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.350 5.392 -8.568 1.00 0.00 C ATOM 0 H LEU B 127 5.599 6.773 -5.198 1.00 0.00 H new ATOM 0 HA LEU B 127 8.304 6.304 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.537 5.326 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.861 5.033 -6.135 1.00 0.00 H new ATOM 0 HG LEU B 127 6.480 7.263 -7.548 1.00 0.00 H new ATOM 0 HD11 LEU B 127 7.987 7.332 -9.501 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.850 7.680 -7.985 1.00 0.00 H new ATOM 0 HD13 LEU B 127 9.006 6.081 -8.750 1.00 0.00 H new ATOM 0 HD21 LEU B 127 6.045 5.835 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.979 4.523 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.465 5.084 -8.011 1.00 0.00 H new ATOM 2038 N ASP B 128 7.575 9.090 -5.970 1.00 0.00 N ATOM 2039 CA ASP B 128 8.063 10.406 -6.366 1.00 0.00 C ATOM 2040 C ASP B 128 9.012 10.953 -5.318 1.00 0.00 C ATOM 2041 O ASP B 128 10.129 11.366 -5.626 1.00 0.00 O ATOM 2042 CB ASP B 128 6.882 11.363 -6.531 1.00 0.00 C ATOM 2043 CG ASP B 128 7.279 12.729 -7.053 1.00 0.00 C ATOM 2044 OD1 ASP B 128 7.452 12.876 -8.279 1.00 0.00 O ATOM 2045 OD2 ASP B 128 7.394 13.673 -6.246 1.00 0.00 O1- ATOM 0 H ASP B 128 6.558 9.016 -5.952 1.00 0.00 H new ATOM 0 HA ASP B 128 8.596 10.313 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.157 10.919 -7.213 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.383 11.481 -5.569 1.00 0.00 H new ATOM 2050 N LYS B 129 8.564 10.916 -4.073 1.00 0.00 N ATOM 2051 CA LYS B 129 9.341 11.441 -2.965 1.00 0.00 C ATOM 2052 C LYS B 129 10.416 10.436 -2.555 1.00 0.00 C ATOM 2053 O LYS B 129 11.521 10.814 -2.165 1.00 0.00 O ATOM 2054 CB LYS B 129 8.433 11.740 -1.770 1.00 0.00 C ATOM 2055 CG LYS B 129 7.031 12.203 -2.140 1.00 0.00 C ATOM 2056 CD LYS B 129 7.029 13.486 -2.952 1.00 0.00 C ATOM 2057 CE LYS B 129 5.618 13.832 -3.400 1.00 0.00 C ATOM 2058 NZ LYS B 129 5.567 15.091 -4.188 1.00 0.00 N1+ ATOM 0 H LYS B 129 7.661 10.525 -3.805 1.00 0.00 H new ATOM 0 HA LYS B 129 9.818 12.367 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.355 10.843 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS B 129 8.904 12.507 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.533 11.418 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS B 129 6.451 12.354 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS B 129 7.437 14.301 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS B 129 7.676 13.373 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS B 129 5.219 13.014 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS B 129 4.975 13.928 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 4.575 15.366 -4.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 6.060 15.846 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 6.030 14.944 -5.107 1.00 0.00 H new ATOM 2072 N LEU B 130 10.082 9.149 -2.663 1.00 0.00 N ATOM 2073 CA LEU B 130 11.010 8.068 -2.320 1.00 0.00 C ATOM 2074 C LEU B 130 12.223 8.054 -3.244 1.00 0.00 C ATOM 2075 O LEU B 130 13.286 7.556 -2.880 1.00 0.00 O ATOM 2076 CB LEU B 130 10.305 6.713 -2.380 1.00 0.00 C ATOM 2077 CG LEU B 130 9.327 6.429 -1.237 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.525 5.174 -1.526 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.075 6.277 0.079 1.00 0.00 C ATOM 0 H LEU B 130 9.170 8.828 -2.987 1.00 0.00 H new ATOM 0 HA LEU B 130 11.356 8.251 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.764 6.646 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.062 5.929 -2.391 1.00 0.00 H new ATOM 0 HG LEU B 130 8.642 7.273 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.834 4.986 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU B 130 7.962 5.307 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.202 4.326 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.364 6.076 0.880 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.780 5.449 0.003 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.617 7.197 0.298 1.00 0.00 H new ATOM 2091 N ASN B 131 12.059 8.574 -4.451 1.00 0.00 N ATOM 2092 CA ASN B 131 13.174 8.680 -5.379 1.00 0.00 C ATOM 2093 C ASN B 131 13.741 10.095 -5.392 1.00 0.00 C ATOM 2094 O ASN B 131 14.827 10.332 -5.915 1.00 0.00 O ATOM 2095 CB ASN B 131 12.758 8.252 -6.791 1.00 0.00 C ATOM 2096 CG ASN B 131 12.621 6.746 -6.918 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.599 6.043 -7.173 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.411 6.239 -6.749 1.00 0.00 N ATOM 0 H ASN B 131 11.171 8.927 -4.809 1.00 0.00 H new ATOM 0 HA ASN B 131 13.957 8.003 -5.036 1.00 0.00 H new ATOM 0 HB2 ASN B 131 11.809 8.724 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.496 8.610 -7.509 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.264 5.233 -6.829 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.625 6.854 -6.539 1.00 0.00 H new ATOM 2105 N ALA B 132 13.019 11.025 -4.775 1.00 0.00 N ATOM 2106 CA ALA B 132 13.453 12.417 -4.720 1.00 0.00 C ATOM 2107 C ALA B 132 14.488 12.624 -3.628 1.00 0.00 C ATOM 2108 O ALA B 132 15.051 13.704 -3.479 1.00 0.00 O ATOM 2109 CB ALA B 132 12.264 13.343 -4.509 1.00 0.00 C ATOM 0 H ALA B 132 12.132 10.841 -4.307 1.00 0.00 H new ATOM 0 HA ALA B 132 13.916 12.661 -5.676 1.00 0.00 H new ATOM 0 HB1 ALA B 132 12.610 14.376 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA B 132 11.561 13.226 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA B 132 11.769 13.091 -3.571 1.00 0.00 H new