USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 875 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 TYR OH : rot -141:sc= 0.018 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-4.3!) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 112 ASN :FLIP amide:sc= -1.2 F(o=-2.3,f=-1.2) USER MOD Set 3.1: A 9 ASN : amide:sc= -0.0713 K(o=-0.12,f=-2.7) USER MOD Set 3.2: A 47 HIS : no HD1:sc= -0.0461 X(o=-0.12,f=-0.032) USER MOD Set 4.1: A 8 CYS SG : rot 120:sc= -1.16 USER MOD Set 4.2: A 124 GLN :FLIP amide:sc= -0.469 F(o=-2.8!,f=-1.6) USER MOD Single : A 14 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.7) USER MOD Single : A 15 SER OG : rot 180:sc=-0.00418 USER MOD Single : A 18 MET CE :methyl -163:sc= 0 (180deg=-0.085) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 28 SER OG : rot -6:sc= 0.526 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 96:sc= 0.164 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -3.84! C(o=-3.8!,f=-6.1!) USER MOD Single : A 69 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.047) USER MOD Single : A 73 ASN : amide:sc= -0.0988 K(o=-0.099,f=-1.7!) USER MOD Single : A 74 THR OG1 : rot -48:sc= 1.23 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 78 CYS SG : rot 150:sc= -3.77! USER MOD Single : A 83 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 CYS SG : rot -80:sc= -1.18 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -120:sc= -0.135 (180deg=-0.293) USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -6.163 -5.774 -14.777 1.00 0.00 N ATOM 55 CA GLY A 5 -7.566 -6.084 -14.412 1.00 0.00 C ATOM 56 C GLY A 5 -8.196 -5.074 -13.449 1.00 0.00 C ATOM 57 O GLY A 5 -9.368 -4.730 -13.570 1.00 0.00 O ATOM 0 HA2 GLY A 5 -8.166 -6.127 -15.321 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.602 -7.075 -13.959 1.00 0.00 H new ATOM 61 N ALA A 6 -7.390 -4.631 -12.492 1.00 0.00 N ATOM 62 CA ALA A 6 -7.770 -3.595 -11.514 1.00 0.00 C ATOM 63 C ALA A 6 -6.839 -2.386 -11.658 1.00 0.00 C ATOM 64 O ALA A 6 -5.769 -2.514 -12.241 1.00 0.00 O ATOM 65 CB ALA A 6 -7.651 -4.168 -10.104 1.00 0.00 C ATOM 0 H ALA A 6 -6.440 -4.980 -12.364 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.798 -3.280 -11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.931 -3.406 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.314 -5.027 -10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.623 -4.481 -9.924 1.00 0.00 H new ATOM 71 N ALA A 7 -7.258 -1.240 -11.133 1.00 0.00 N ATOM 72 CA ALA A 7 -6.497 0.027 -11.190 1.00 0.00 C ATOM 73 C ALA A 7 -7.175 1.074 -10.304 1.00 0.00 C ATOM 74 O ALA A 7 -8.315 1.469 -10.542 1.00 0.00 O ATOM 75 CB ALA A 7 -6.381 0.579 -12.617 1.00 0.00 C ATOM 0 H ALA A 7 -8.149 -1.152 -10.645 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.490 -0.187 -10.833 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.813 1.509 -12.602 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.870 -0.148 -13.248 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.378 0.768 -13.016 1.00 0.00 H new ATOM 81 N CYS A 8 -6.568 1.251 -9.142 1.00 0.00 N ATOM 82 CA CYS A 8 -7.035 2.234 -8.152 1.00 0.00 C ATOM 83 C CYS A 8 -5.952 3.279 -7.865 1.00 0.00 C ATOM 84 O CYS A 8 -4.803 3.132 -8.258 1.00 0.00 O ATOM 85 CB CYS A 8 -7.471 1.494 -6.887 1.00 0.00 C ATOM 86 SG CYS A 8 -8.776 0.257 -7.232 1.00 0.00 S ATOM 0 H CYS A 8 -5.743 0.727 -8.851 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.892 2.779 -8.548 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.609 0.997 -6.442 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.837 2.213 -6.154 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.353 -0.925 -6.897 1.00 0.00 H new ATOM 92 N ASN A 9 -6.372 4.383 -7.278 1.00 0.00 N ATOM 93 CA ASN A 9 -5.511 5.529 -6.937 1.00 0.00 C ATOM 94 C ASN A 9 -5.301 5.601 -5.432 1.00 0.00 C ATOM 95 O ASN A 9 -6.237 5.519 -4.629 1.00 0.00 O ATOM 96 CB ASN A 9 -6.153 6.845 -7.369 1.00 0.00 C ATOM 97 CG ASN A 9 -6.306 6.995 -8.880 1.00 0.00 C ATOM 98 OD1 ASN A 9 -6.412 6.053 -9.656 1.00 0.00 O ATOM 99 ND2 ASN A 9 -6.396 8.230 -9.303 1.00 0.00 N ATOM 0 H ASN A 9 -7.347 4.524 -7.012 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.563 5.385 -7.456 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.136 6.927 -6.905 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.552 7.672 -6.991 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.557 8.420 -10.292 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.305 9.003 -8.644 1.00 0.00 H new ATOM 106 N VAL A 10 -4.024 5.714 -5.098 1.00 0.00 N ATOM 107 CA VAL A 10 -3.559 5.764 -3.703 1.00 0.00 C ATOM 108 C VAL A 10 -2.400 6.774 -3.598 1.00 0.00 C ATOM 109 O VAL A 10 -1.738 7.101 -4.579 1.00 0.00 O ATOM 110 CB VAL A 10 -3.230 4.359 -3.114 1.00 0.00 C ATOM 111 CG1 VAL A 10 -4.114 3.218 -3.638 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.767 3.936 -3.202 1.00 0.00 C ATOM 0 H VAL A 10 -3.271 5.774 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.374 6.117 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.463 4.520 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.811 2.280 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.156 3.424 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.003 3.139 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.648 2.945 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.458 3.911 -4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.149 4.650 -2.658 1.00 0.00 H new ATOM 122 N LEU A 11 -2.117 7.163 -2.370 1.00 0.00 N ATOM 123 CA LEU A 11 -1.050 8.112 -2.044 1.00 0.00 C ATOM 124 C LEU A 11 0.157 7.374 -1.461 1.00 0.00 C ATOM 125 O LEU A 11 0.059 6.729 -0.418 1.00 0.00 O ATOM 126 CB LEU A 11 -1.645 9.133 -1.074 1.00 0.00 C ATOM 127 CG LEU A 11 -1.284 10.583 -1.398 1.00 0.00 C ATOM 128 CD1 LEU A 11 -1.584 10.949 -2.849 1.00 0.00 C ATOM 129 CD2 LEU A 11 -2.097 11.502 -0.488 1.00 0.00 C ATOM 0 H LEU A 11 -2.626 6.828 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.682 8.629 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.730 9.031 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.304 8.901 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.212 10.702 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.309 11.989 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.009 10.304 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.648 10.816 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.851 12.541 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.161 11.337 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.861 11.285 0.554 1.00 0.00 H new ATOM 141 N PHE A 12 1.159 7.282 -2.324 1.00 0.00 N ATOM 142 CA PHE A 12 2.470 6.679 -2.043 1.00 0.00 C ATOM 143 C PHE A 12 3.130 7.465 -0.916 1.00 0.00 C ATOM 144 O PHE A 12 3.298 8.682 -1.008 1.00 0.00 O ATOM 145 CB PHE A 12 3.356 6.753 -3.291 1.00 0.00 C ATOM 146 CG PHE A 12 4.794 6.273 -3.071 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.730 7.161 -2.551 1.00 0.00 C ATOM 148 CD2 PHE A 12 5.167 4.963 -3.353 1.00 0.00 C ATOM 149 CE1 PHE A 12 7.029 6.745 -2.302 1.00 0.00 C ATOM 150 CE2 PHE A 12 6.473 4.553 -3.117 1.00 0.00 C ATOM 151 CZ PHE A 12 7.404 5.439 -2.590 1.00 0.00 C ATOM 0 H PHE A 12 1.086 7.637 -3.278 1.00 0.00 H new ATOM 0 HA PHE A 12 2.342 5.635 -1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.902 6.154 -4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.379 7.783 -3.645 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.443 8.181 -2.340 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.444 4.268 -3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.748 7.435 -1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.766 3.539 -3.345 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.417 5.113 -2.405 1.00 0.00 H new ATOM 161 N ILE A 13 3.504 6.706 0.095 1.00 0.00 N ATOM 162 CA ILE A 13 4.209 7.307 1.229 1.00 0.00 C ATOM 163 C ILE A 13 5.693 6.924 1.152 1.00 0.00 C ATOM 164 O ILE A 13 6.510 7.749 0.751 1.00 0.00 O ATOM 165 CB ILE A 13 3.514 6.953 2.555 1.00 0.00 C ATOM 166 CG1 ILE A 13 1.998 7.243 2.594 1.00 0.00 C ATOM 167 CG2 ILE A 13 4.240 7.686 3.670 1.00 0.00 C ATOM 168 CD1 ILE A 13 1.545 8.626 2.105 1.00 0.00 C ATOM 0 H ILE A 13 3.342 5.701 0.164 1.00 0.00 H new ATOM 0 HA ILE A 13 4.168 8.395 1.183 1.00 0.00 H new ATOM 0 HB ILE A 13 3.577 5.872 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.492 6.488 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.654 7.116 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.769 7.454 4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.283 7.370 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.190 8.760 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.461 8.702 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.009 9.399 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.844 8.760 1.065 1.00 0.00 H new ATOM 180 N ASN A 14 6.001 5.712 1.612 1.00 0.00 N ATOM 181 CA ASN A 14 7.359 5.137 1.603 1.00 0.00 C ATOM 182 C ASN A 14 7.360 3.725 2.192 1.00 0.00 C ATOM 183 O ASN A 14 6.442 3.335 2.923 1.00 0.00 O ATOM 184 CB ASN A 14 8.346 5.982 2.417 1.00 0.00 C ATOM 185 CG ASN A 14 9.603 6.277 1.599 1.00 0.00 C ATOM 186 OD1 ASN A 14 9.987 5.572 0.671 1.00 0.00 O ATOM 187 ND2 ASN A 14 10.275 7.344 1.955 1.00 0.00 N ATOM 0 H ASN A 14 5.304 5.084 2.011 1.00 0.00 H new ATOM 0 HA ASN A 14 7.672 5.117 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.872 6.917 2.716 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.616 5.455 3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.129 7.598 1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.944 7.921 2.728 1.00 0.00 H new ATOM 194 N SER A 15 8.385 2.974 1.803 1.00 0.00 N ATOM 195 CA SER A 15 8.582 1.608 2.311 1.00 0.00 C ATOM 196 C SER A 15 9.570 1.654 3.477 1.00 0.00 C ATOM 197 O SER A 15 10.631 2.276 3.416 1.00 0.00 O ATOM 198 CB SER A 15 9.060 0.635 1.227 1.00 0.00 C ATOM 199 OG SER A 15 10.470 0.647 0.989 1.00 0.00 O ATOM 0 H SER A 15 9.095 3.282 1.139 1.00 0.00 H new ATOM 0 HA SER A 15 7.618 1.229 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.762 -0.375 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.547 0.871 0.295 1.00 0.00 H new ATOM 0 HG SER A 15 10.689 -0.001 0.287 1.00 0.00 H new ATOM 205 N VAL A 16 9.097 1.124 4.589 1.00 0.00 N ATOM 206 CA VAL A 16 9.918 1.075 5.812 1.00 0.00 C ATOM 207 C VAL A 16 10.170 -0.378 6.204 1.00 0.00 C ATOM 208 O VAL A 16 9.241 -1.164 6.410 1.00 0.00 O ATOM 209 CB VAL A 16 9.362 1.943 6.953 1.00 0.00 C ATOM 210 CG1 VAL A 16 9.483 3.434 6.625 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.904 1.640 7.255 1.00 0.00 C ATOM 0 H VAL A 16 8.164 0.723 4.684 1.00 0.00 H new ATOM 0 HA VAL A 16 10.885 1.530 5.595 1.00 0.00 H new ATOM 0 HB VAL A 16 9.963 1.700 7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.082 4.022 7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.532 3.689 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.922 3.653 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.560 2.280 8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.302 1.828 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.803 0.595 7.548 1.00 0.00 H new ATOM 221 N GLU A 17 11.410 -0.775 5.927 1.00 0.00 N ATOM 222 CA GLU A 17 11.868 -2.142 6.232 1.00 0.00 C ATOM 223 C GLU A 17 11.666 -2.447 7.717 1.00 0.00 C ATOM 224 O GLU A 17 11.960 -1.638 8.591 1.00 0.00 O ATOM 225 CB GLU A 17 13.332 -2.408 5.862 1.00 0.00 C ATOM 226 CG GLU A 17 13.518 -2.846 4.405 1.00 0.00 C ATOM 227 CD GLU A 17 13.923 -1.703 3.470 1.00 0.00 C ATOM 228 OE1 GLU A 17 13.190 -0.690 3.432 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.977 -1.868 2.823 1.00 0.00 O ATOM 0 H GLU A 17 12.116 -0.179 5.495 1.00 0.00 H new ATOM 0 HA GLU A 17 11.260 -2.801 5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.915 -1.504 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.732 -3.180 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.278 -3.626 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.588 -3.287 4.045 1.00 0.00 H new ATOM 236 N MET A 18 11.062 -3.602 7.927 1.00 0.00 N ATOM 237 CA MET A 18 10.769 -4.105 9.281 1.00 0.00 C ATOM 238 C MET A 18 11.727 -5.195 9.752 1.00 0.00 C ATOM 239 O MET A 18 11.832 -5.427 10.953 1.00 0.00 O ATOM 240 CB MET A 18 9.336 -4.621 9.383 1.00 0.00 C ATOM 241 CG MET A 18 8.471 -3.574 10.081 1.00 0.00 C ATOM 242 SD MET A 18 8.071 -2.121 9.047 1.00 0.00 S ATOM 243 CE MET A 18 8.722 -0.831 10.082 1.00 0.00 C ATOM 0 H MET A 18 10.757 -4.223 7.178 1.00 0.00 H new ATOM 0 HA MET A 18 10.904 -3.245 9.937 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.941 -4.831 8.389 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.313 -5.558 9.940 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.541 -4.043 10.403 1.00 0.00 H new ATOM 0 HG3 MET A 18 8.985 -3.235 10.980 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.310 0.129 9.770 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.448 -1.024 11.119 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.808 -0.806 9.992 1.00 0.00 H new ATOM 253 N GLU A 19 12.333 -5.877 8.771 1.00 0.00 N ATOM 254 CA GLU A 19 13.260 -7.017 8.942 1.00 0.00 C ATOM 255 C GLU A 19 12.516 -8.297 9.379 1.00 0.00 C ATOM 256 O GLU A 19 13.052 -9.130 10.107 1.00 0.00 O ATOM 257 CB GLU A 19 14.358 -6.618 9.942 1.00 0.00 C ATOM 258 CG GLU A 19 15.688 -7.343 9.760 1.00 0.00 C ATOM 259 CD GLU A 19 16.540 -7.115 11.008 1.00 0.00 C ATOM 260 OE1 GLU A 19 17.073 -5.990 11.145 1.00 0.00 O ATOM 261 OE2 GLU A 19 16.608 -8.059 11.823 1.00 0.00 O ATOM 0 H GLU A 19 12.187 -5.643 7.789 1.00 0.00 H new ATOM 0 HA GLU A 19 13.723 -7.253 7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.532 -5.545 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.994 -6.805 10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.520 -8.409 9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.205 -6.970 8.876 1.00 0.00 H new ATOM 268 N SER A 20 11.286 -8.432 8.866 1.00 0.00 N ATOM 269 CA SER A 20 10.353 -9.560 9.104 1.00 0.00 C ATOM 270 C SER A 20 9.788 -9.493 10.530 1.00 0.00 C ATOM 271 O SER A 20 10.281 -10.116 11.469 1.00 0.00 O ATOM 272 CB SER A 20 11.036 -10.922 8.895 1.00 0.00 C ATOM 273 OG SER A 20 10.257 -11.800 8.088 1.00 0.00 O ATOM 0 H SER A 20 10.888 -7.729 8.243 1.00 0.00 H new ATOM 0 HA SER A 20 9.544 -9.467 8.379 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.009 -10.770 8.428 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.217 -11.387 9.864 1.00 0.00 H new ATOM 0 HG SER A 20 10.730 -12.652 7.981 1.00 0.00 H new ATOM 279 N LEU A 21 8.805 -8.611 10.695 1.00 0.00 N ATOM 280 CA LEU A 21 8.141 -8.438 11.999 1.00 0.00 C ATOM 281 C LEU A 21 7.276 -9.656 12.361 1.00 0.00 C ATOM 282 O LEU A 21 7.645 -10.443 13.226 1.00 0.00 O ATOM 283 CB LEU A 21 7.385 -7.102 12.032 1.00 0.00 C ATOM 284 CG LEU A 21 7.682 -6.286 13.301 1.00 0.00 C ATOM 285 CD1 LEU A 21 9.170 -5.958 13.458 1.00 0.00 C ATOM 286 CD2 LEU A 21 6.935 -4.962 13.235 1.00 0.00 C ATOM 0 H LEU A 21 8.448 -8.007 9.954 1.00 0.00 H new ATOM 0 HA LEU A 21 8.896 -8.388 12.783 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.655 -6.514 11.155 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.314 -7.293 11.970 1.00 0.00 H new ATOM 0 HG LEU A 21 7.365 -6.897 14.146 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.321 -5.381 14.370 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.743 -6.884 13.515 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.507 -5.375 12.600 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.144 -4.381 14.134 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.262 -4.403 12.358 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.864 -5.152 13.166 1.00 0.00 H new ATOM 298 N THR A 22 6.163 -9.811 11.641 1.00 0.00 N ATOM 299 CA THR A 22 5.147 -10.877 11.854 1.00 0.00 C ATOM 300 C THR A 22 3.934 -10.732 10.916 1.00 0.00 C ATOM 301 O THR A 22 3.487 -11.689 10.289 1.00 0.00 O ATOM 302 CB THR A 22 4.694 -11.009 13.331 1.00 0.00 C ATOM 303 OG1 THR A 22 3.596 -11.912 13.442 1.00 0.00 O ATOM 304 CG2 THR A 22 4.330 -9.686 14.015 1.00 0.00 C ATOM 0 H THR A 22 5.925 -9.188 10.869 1.00 0.00 H new ATOM 0 HA THR A 22 5.655 -11.806 11.597 1.00 0.00 H new ATOM 0 HB THR A 22 5.569 -11.394 13.855 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.325 -11.984 14.381 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.026 -9.880 15.044 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.196 -9.024 14.011 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.509 -9.212 13.477 1.00 0.00 H new ATOM 312 N GLY A 23 3.505 -9.473 10.756 1.00 0.00 N ATOM 313 CA GLY A 23 2.357 -9.117 9.898 1.00 0.00 C ATOM 314 C GLY A 23 1.502 -8.040 10.585 1.00 0.00 C ATOM 315 O GLY A 23 1.787 -6.860 10.349 1.00 0.00 O ATOM 0 H GLY A 23 3.939 -8.672 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.712 -8.751 8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.752 -10.002 9.700 1.00 0.00 H new ATOM 319 N PRO A 24 0.622 -8.414 11.534 1.00 0.00 N ATOM 320 CA PRO A 24 -0.220 -7.461 12.295 1.00 0.00 C ATOM 321 C PRO A 24 0.548 -6.682 13.382 1.00 0.00 C ATOM 322 O PRO A 24 0.145 -6.571 14.535 1.00 0.00 O ATOM 323 CB PRO A 24 -1.348 -8.329 12.859 1.00 0.00 C ATOM 324 CG PRO A 24 -0.662 -9.668 13.117 1.00 0.00 C ATOM 325 CD PRO A 24 0.312 -9.801 11.945 1.00 0.00 C ATOM 0 HA PRO A 24 -0.595 -6.659 11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.762 -7.906 13.774 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.172 -8.428 12.152 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.141 -9.674 14.075 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.379 -10.489 13.138 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.215 -10.334 12.243 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.134 -10.364 11.125 1.00 0.00 H new ATOM 333 N GLN A 25 1.667 -6.115 12.950 1.00 0.00 N ATOM 334 CA GLN A 25 2.585 -5.309 13.777 1.00 0.00 C ATOM 335 C GLN A 25 3.381 -4.338 12.898 1.00 0.00 C ATOM 336 O GLN A 25 3.409 -3.148 13.169 1.00 0.00 O ATOM 337 CB GLN A 25 3.563 -6.218 14.522 1.00 0.00 C ATOM 338 CG GLN A 25 4.367 -5.463 15.586 1.00 0.00 C ATOM 339 CD GLN A 25 3.700 -5.392 16.959 1.00 0.00 C ATOM 340 OE1 GLN A 25 2.547 -5.736 17.185 1.00 0.00 O ATOM 341 NE2 GLN A 25 4.475 -4.969 17.927 1.00 0.00 N ATOM 0 H GLN A 25 1.980 -6.201 11.983 1.00 0.00 H new ATOM 0 HA GLN A 25 1.989 -4.746 14.495 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.011 -7.030 14.996 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.249 -6.673 13.807 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.340 -5.942 15.694 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.549 -4.448 15.232 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.434 -4.685 17.726 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.120 -4.923 18.882 1.00 0.00 H new ATOM 350 N ALA A 26 3.870 -4.818 11.756 1.00 0.00 N ATOM 351 CA ALA A 26 4.602 -3.969 10.802 1.00 0.00 C ATOM 352 C ALA A 26 3.708 -2.878 10.209 1.00 0.00 C ATOM 353 O ALA A 26 4.136 -1.744 10.133 1.00 0.00 O ATOM 354 CB ALA A 26 5.218 -4.837 9.716 1.00 0.00 C ATOM 0 H ALA A 26 3.775 -5.791 11.464 1.00 0.00 H new ATOM 0 HA ALA A 26 5.401 -3.456 11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.760 -4.207 9.010 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.907 -5.551 10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.430 -5.376 9.190 1.00 0.00 H new ATOM 360 N ILE A 27 2.408 -3.152 10.146 1.00 0.00 N ATOM 361 CA ILE A 27 1.394 -2.194 9.659 1.00 0.00 C ATOM 362 C ILE A 27 1.274 -0.986 10.617 1.00 0.00 C ATOM 363 O ILE A 27 1.163 0.144 10.159 1.00 0.00 O ATOM 364 CB ILE A 27 0.052 -2.917 9.448 1.00 0.00 C ATOM 365 CG1 ILE A 27 0.229 -4.131 8.523 1.00 0.00 C ATOM 366 CG2 ILE A 27 -0.965 -1.960 8.814 1.00 0.00 C ATOM 367 CD1 ILE A 27 -0.895 -5.159 8.685 1.00 0.00 C ATOM 0 H ILE A 27 2.016 -4.049 10.431 1.00 0.00 H new ATOM 0 HA ILE A 27 1.707 -1.794 8.695 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.307 -3.253 10.421 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.262 -3.793 7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.186 -4.608 8.733 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.912 -2.480 8.668 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.118 -1.104 9.472 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.589 -1.615 7.851 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.722 -5.997 8.009 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.912 -5.520 9.713 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.851 -4.693 8.448 1.00 0.00 H new ATOM 379 N SER A 28 1.493 -1.227 11.908 1.00 0.00 N ATOM 380 CA SER A 28 1.470 -0.168 12.937 1.00 0.00 C ATOM 381 C SER A 28 2.878 0.349 13.224 1.00 0.00 C ATOM 382 O SER A 28 3.084 1.535 13.065 1.00 0.00 O ATOM 383 CB SER A 28 0.825 -0.614 14.249 1.00 0.00 C ATOM 384 OG SER A 28 1.469 -1.797 14.731 1.00 0.00 O ATOM 0 H SER A 28 1.692 -2.156 12.278 1.00 0.00 H new ATOM 0 HA SER A 28 0.856 0.631 12.521 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.903 0.181 14.991 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.237 -0.804 14.096 1.00 0.00 H new ATOM 0 HG SER A 28 2.114 -2.113 14.065 1.00 0.00 H new ATOM 390 N LYS A 29 3.873 -0.522 13.349 1.00 0.00 N ATOM 391 CA LYS A 29 5.286 -0.124 13.519 1.00 0.00 C ATOM 392 C LYS A 29 5.801 0.747 12.355 1.00 0.00 C ATOM 393 O LYS A 29 6.642 1.611 12.567 1.00 0.00 O ATOM 394 CB LYS A 29 6.152 -1.376 13.660 1.00 0.00 C ATOM 395 CG LYS A 29 7.083 -1.338 14.878 1.00 0.00 C ATOM 396 CD LYS A 29 6.483 -1.924 16.164 1.00 0.00 C ATOM 397 CE LYS A 29 5.736 -0.911 17.035 1.00 0.00 C ATOM 398 NZ LYS A 29 6.087 -1.118 18.450 1.00 0.00 N ATOM 0 H LYS A 29 3.733 -1.532 13.337 1.00 0.00 H new ATOM 0 HA LYS A 29 5.351 0.484 14.422 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.505 -2.250 13.734 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.751 -1.498 12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.995 -1.884 14.638 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.370 -0.304 15.066 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.798 -2.729 15.896 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.284 -2.370 16.753 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.993 0.104 16.731 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.660 -1.022 16.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.578 -0.428 19.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.820 -2.081 18.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.112 -0.991 18.576 1.00 0.00 H new ATOM 412 N ALA A 30 5.223 0.543 11.170 1.00 0.00 N ATOM 413 CA ALA A 30 5.433 1.350 9.954 1.00 0.00 C ATOM 414 C ALA A 30 4.579 2.622 9.950 1.00 0.00 C ATOM 415 O ALA A 30 5.141 3.700 10.051 1.00 0.00 O ATOM 416 CB ALA A 30 5.093 0.536 8.712 1.00 0.00 C ATOM 0 H ALA A 30 4.565 -0.222 11.019 1.00 0.00 H new ATOM 0 HA ALA A 30 6.485 1.636 9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.253 1.145 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.733 -0.345 8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.049 0.225 8.755 1.00 0.00 H new ATOM 422 N VAL A 31 3.257 2.491 10.094 1.00 0.00 N ATOM 423 CA VAL A 31 2.347 3.660 10.181 1.00 0.00 C ATOM 424 C VAL A 31 2.744 4.592 11.352 1.00 0.00 C ATOM 425 O VAL A 31 2.811 5.797 11.176 1.00 0.00 O ATOM 426 CB VAL A 31 0.869 3.211 10.236 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.097 4.313 10.681 1.00 0.00 C ATOM 428 CG2 VAL A 31 0.380 2.781 8.852 1.00 0.00 C ATOM 0 H VAL A 31 2.783 1.590 10.154 1.00 0.00 H new ATOM 0 HA VAL A 31 2.454 4.251 9.271 1.00 0.00 H new ATOM 0 HB VAL A 31 0.863 2.397 10.961 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.114 3.922 10.695 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.174 4.653 11.680 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.040 5.150 9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.663 2.469 8.915 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.467 3.618 8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.987 1.949 8.494 1.00 0.00 H new ATOM 438 N ALA A 32 3.231 4.029 12.443 1.00 0.00 N ATOM 439 CA ALA A 32 3.679 4.771 13.639 1.00 0.00 C ATOM 440 C ALA A 32 5.064 5.411 13.467 1.00 0.00 C ATOM 441 O ALA A 32 5.358 6.393 14.139 1.00 0.00 O ATOM 442 CB ALA A 32 3.651 3.879 14.884 1.00 0.00 C ATOM 0 H ALA A 32 3.334 3.019 12.538 1.00 0.00 H new ATOM 0 HA ALA A 32 2.969 5.588 13.772 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.986 4.451 15.749 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.635 3.524 15.055 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.313 3.026 14.735 1.00 0.00 H new ATOM 448 N GLU A 33 5.848 4.912 12.511 1.00 0.00 N ATOM 449 CA GLU A 33 7.153 5.512 12.153 1.00 0.00 C ATOM 450 C GLU A 33 7.129 6.246 10.794 1.00 0.00 C ATOM 451 O GLU A 33 8.145 6.722 10.294 1.00 0.00 O ATOM 452 CB GLU A 33 8.253 4.434 12.201 1.00 0.00 C ATOM 453 CG GLU A 33 8.342 3.502 10.982 1.00 0.00 C ATOM 454 CD GLU A 33 9.663 3.660 10.224 1.00 0.00 C ATOM 455 OE1 GLU A 33 10.041 4.812 9.923 1.00 0.00 O ATOM 456 OE2 GLU A 33 10.281 2.608 9.955 1.00 0.00 O ATOM 0 H GLU A 33 5.608 4.087 11.961 1.00 0.00 H new ATOM 0 HA GLU A 33 7.377 6.280 12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.215 4.931 12.323 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.095 3.822 13.089 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.235 2.468 11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.512 3.710 10.307 1.00 0.00 H new ATOM 463 N THR A 34 5.945 6.339 10.204 1.00 0.00 N ATOM 464 CA THR A 34 5.780 6.883 8.846 1.00 0.00 C ATOM 465 C THR A 34 4.682 7.949 8.770 1.00 0.00 C ATOM 466 O THR A 34 4.923 9.003 8.195 1.00 0.00 O ATOM 467 CB THR A 34 5.566 5.737 7.851 1.00 0.00 C ATOM 468 OG1 THR A 34 6.717 4.891 7.881 1.00 0.00 O ATOM 469 CG2 THR A 34 5.386 6.229 6.421 1.00 0.00 C ATOM 0 H THR A 34 5.072 6.044 10.642 1.00 0.00 H new ATOM 0 HA THR A 34 6.698 7.403 8.570 1.00 0.00 H new ATOM 0 HB THR A 34 4.658 5.211 8.146 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.552 4.136 8.483 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.238 5.376 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.517 6.884 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.274 6.779 6.111 1.00 0.00 H new ATOM 477 N LEU A 35 3.566 7.732 9.459 1.00 0.00 N ATOM 478 CA LEU A 35 2.486 8.737 9.549 1.00 0.00 C ATOM 479 C LEU A 35 3.032 10.006 10.218 1.00 0.00 C ATOM 480 O LEU A 35 2.778 11.110 9.749 1.00 0.00 O ATOM 481 CB LEU A 35 1.329 8.159 10.367 1.00 0.00 C ATOM 482 CG LEU A 35 0.060 9.008 10.456 1.00 0.00 C ATOM 483 CD1 LEU A 35 -1.070 8.039 10.761 1.00 0.00 C ATOM 484 CD2 LEU A 35 0.108 10.034 11.592 1.00 0.00 C ATOM 0 H LEU A 35 3.376 6.869 9.969 1.00 0.00 H new ATOM 0 HA LEU A 35 2.124 8.990 8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.062 7.191 9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.687 7.975 11.380 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.064 9.559 9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.009 8.587 10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.144 7.303 9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.869 7.531 11.704 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.820 10.606 11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.229 9.517 12.544 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.949 10.710 11.437 1.00 0.00 H new ATOM 496 N VAL A 36 3.806 9.790 11.281 1.00 0.00 N ATOM 497 CA VAL A 36 4.479 10.896 11.987 1.00 0.00 C ATOM 498 C VAL A 36 5.708 11.332 11.173 1.00 0.00 C ATOM 499 O VAL A 36 5.857 12.511 10.854 1.00 0.00 O ATOM 500 CB VAL A 36 4.795 10.573 13.468 1.00 0.00 C ATOM 501 CG1 VAL A 36 3.527 10.169 14.227 1.00 0.00 C ATOM 502 CG2 VAL A 36 5.895 9.528 13.703 1.00 0.00 C ATOM 0 H VAL A 36 3.986 8.867 11.676 1.00 0.00 H new ATOM 0 HA VAL A 36 3.794 11.741 12.052 1.00 0.00 H new ATOM 0 HB VAL A 36 5.196 11.508 13.859 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.779 9.948 15.264 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.807 10.987 14.195 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.091 9.284 13.763 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.033 9.380 14.774 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.605 8.584 13.241 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.829 9.877 13.261 1.00 0.00 H new ATOM 512 N ALA A 37 6.480 10.322 10.736 1.00 0.00 N ATOM 513 CA ALA A 37 7.787 10.463 10.068 1.00 0.00 C ATOM 514 C ALA A 37 8.605 11.558 10.774 1.00 0.00 C ATOM 515 O ALA A 37 8.373 11.740 11.972 1.00 0.00 O ATOM 516 CB ALA A 37 7.572 10.656 8.563 1.00 0.00 C ATOM 0 H ALA A 37 6.200 9.347 10.842 1.00 0.00 H new ATOM 0 HA ALA A 37 8.390 9.559 10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.537 10.760 8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.047 9.791 8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.978 11.554 8.393 1.00 0.00 H new ATOM 522 N ASP A 38 9.573 12.180 10.088 1.00 0.00 N ATOM 523 CA ASP A 38 10.446 13.294 10.535 1.00 0.00 C ATOM 524 C ASP A 38 11.859 13.152 9.920 1.00 0.00 C ATOM 525 O ASP A 38 12.698 12.461 10.495 1.00 0.00 O ATOM 526 CB ASP A 38 10.506 13.488 12.068 1.00 0.00 C ATOM 527 CG ASP A 38 11.642 14.321 12.653 1.00 0.00 C ATOM 528 OD1 ASP A 38 11.588 15.558 12.477 1.00 0.00 O ATOM 529 OD2 ASP A 38 12.514 13.699 13.295 1.00 0.00 O ATOM 0 H ASP A 38 9.790 11.902 9.131 1.00 0.00 H new ATOM 0 HA ASP A 38 9.983 14.207 10.162 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.566 13.943 12.381 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.550 12.500 12.526 1.00 0.00 H new ATOM 534 N PRO A 39 12.063 13.767 8.750 1.00 0.00 N ATOM 535 CA PRO A 39 11.048 14.490 7.951 1.00 0.00 C ATOM 536 C PRO A 39 10.068 13.533 7.250 1.00 0.00 C ATOM 537 O PRO A 39 10.322 12.332 7.168 1.00 0.00 O ATOM 538 CB PRO A 39 11.860 15.333 6.970 1.00 0.00 C ATOM 539 CG PRO A 39 13.133 14.514 6.753 1.00 0.00 C ATOM 540 CD PRO A 39 13.396 13.869 8.115 1.00 0.00 C ATOM 0 HA PRO A 39 10.402 15.111 8.572 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.321 15.490 6.036 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.083 16.319 7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.996 13.762 5.975 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.966 15.145 6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.858 12.888 8.005 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.075 14.475 8.715 1.00 0.00 H new ATOM 548 N THR A 40 8.859 14.038 7.016 1.00 0.00 N ATOM 549 CA THR A 40 7.799 13.250 6.350 1.00 0.00 C ATOM 550 C THR A 40 7.938 13.261 4.811 1.00 0.00 C ATOM 551 O THR A 40 8.251 14.313 4.251 1.00 0.00 O ATOM 552 CB THR A 40 6.387 13.636 6.832 1.00 0.00 C ATOM 553 OG1 THR A 40 5.513 12.556 6.505 1.00 0.00 O ATOM 554 CG2 THR A 40 5.827 14.949 6.265 1.00 0.00 C ATOM 0 H THR A 40 8.580 14.985 7.273 1.00 0.00 H new ATOM 0 HA THR A 40 7.943 12.214 6.655 1.00 0.00 H new ATOM 0 HB THR A 40 6.459 13.815 7.905 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.604 12.770 6.801 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.830 15.124 6.669 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.482 15.774 6.544 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.771 14.882 5.179 1.00 0.00 H new ATOM 562 N PRO A 41 7.832 12.094 4.164 1.00 0.00 N ATOM 563 CA PRO A 41 7.856 12.016 2.693 1.00 0.00 C ATOM 564 C PRO A 41 6.560 12.574 2.091 1.00 0.00 C ATOM 565 O PRO A 41 5.506 12.628 2.723 1.00 0.00 O ATOM 566 CB PRO A 41 8.082 10.539 2.370 1.00 0.00 C ATOM 567 CG PRO A 41 7.458 9.816 3.562 1.00 0.00 C ATOM 568 CD PRO A 41 7.753 10.739 4.747 1.00 0.00 C ATOM 0 HA PRO A 41 8.647 12.625 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.604 10.255 1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.142 10.307 2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.386 9.671 3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.897 8.829 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.967 10.678 5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.687 10.465 5.238 1.00 0.00 H new ATOM 576 N THR A 42 6.731 13.080 0.881 1.00 0.00 N ATOM 577 CA THR A 42 5.646 13.670 0.075 1.00 0.00 C ATOM 578 C THR A 42 4.725 12.576 -0.464 1.00 0.00 C ATOM 579 O THR A 42 5.156 11.530 -0.948 1.00 0.00 O ATOM 580 CB THR A 42 6.234 14.504 -1.068 1.00 0.00 C ATOM 581 OG1 THR A 42 7.383 13.845 -1.619 1.00 0.00 O ATOM 582 CG2 THR A 42 6.583 15.915 -0.591 1.00 0.00 C ATOM 0 H THR A 42 7.637 13.098 0.413 1.00 0.00 H new ATOM 0 HA THR A 42 5.052 14.327 0.710 1.00 0.00 H new ATOM 0 HB THR A 42 5.483 14.599 -1.852 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.751 14.385 -2.350 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.999 16.487 -1.421 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.683 16.408 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.317 15.856 0.213 1.00 0.00 H new ATOM 590 N ALA A 43 3.445 12.812 -0.232 1.00 0.00 N ATOM 591 CA ALA A 43 2.369 11.893 -0.624 1.00 0.00 C ATOM 592 C ALA A 43 2.045 12.005 -2.128 1.00 0.00 C ATOM 593 O ALA A 43 1.409 12.956 -2.581 1.00 0.00 O ATOM 594 CB ALA A 43 1.201 12.223 0.302 1.00 0.00 C ATOM 0 H ALA A 43 3.111 13.653 0.238 1.00 0.00 H new ATOM 0 HA ALA A 43 2.647 10.845 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.357 11.574 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.503 12.067 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.909 13.264 0.162 1.00 0.00 H new ATOM 600 N THR A 44 2.610 11.072 -2.888 1.00 0.00 N ATOM 601 CA THR A 44 2.469 11.041 -4.366 1.00 0.00 C ATOM 602 C THR A 44 1.312 10.132 -4.815 1.00 0.00 C ATOM 603 O THR A 44 1.182 8.995 -4.372 1.00 0.00 O ATOM 604 CB THR A 44 3.818 10.661 -5.011 1.00 0.00 C ATOM 605 OG1 THR A 44 4.734 11.723 -4.739 1.00 0.00 O ATOM 606 CG2 THR A 44 3.775 10.443 -6.530 1.00 0.00 C ATOM 0 H THR A 44 3.179 10.313 -2.513 1.00 0.00 H new ATOM 0 HA THR A 44 2.203 12.039 -4.715 1.00 0.00 H new ATOM 0 HB THR A 44 4.113 9.704 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.606 11.513 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.770 10.180 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.081 9.635 -6.762 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.443 11.359 -7.020 1.00 0.00 H new ATOM 614 N ILE A 45 0.553 10.618 -5.792 1.00 0.00 N ATOM 615 CA ILE A 45 -0.603 9.877 -6.347 1.00 0.00 C ATOM 616 C ILE A 45 -0.094 8.789 -7.307 1.00 0.00 C ATOM 617 O ILE A 45 0.595 9.055 -8.297 1.00 0.00 O ATOM 618 CB ILE A 45 -1.663 10.782 -7.010 1.00 0.00 C ATOM 619 CG1 ILE A 45 -2.052 11.941 -6.071 1.00 0.00 C ATOM 620 CG2 ILE A 45 -2.904 9.947 -7.376 1.00 0.00 C ATOM 621 CD1 ILE A 45 -2.982 13.028 -6.625 1.00 0.00 C ATOM 0 H ILE A 45 0.710 11.527 -6.227 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.125 9.411 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.241 11.210 -7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.526 11.512 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.134 12.424 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.650 10.590 -7.844 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.619 9.157 -8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.323 9.503 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.168 13.776 -5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.513 13.504 -7.486 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.927 12.578 -6.929 1.00 0.00 H new ATOM 633 N VAL A 46 -0.307 7.570 -6.839 1.00 0.00 N ATOM 634 CA VAL A 46 0.044 6.330 -7.552 1.00 0.00 C ATOM 635 C VAL A 46 -1.199 5.490 -7.889 1.00 0.00 C ATOM 636 O VAL A 46 -2.240 5.588 -7.239 1.00 0.00 O ATOM 637 CB VAL A 46 1.111 5.502 -6.804 1.00 0.00 C ATOM 638 CG1 VAL A 46 2.431 6.266 -6.691 1.00 0.00 C ATOM 639 CG2 VAL A 46 0.671 5.046 -5.415 1.00 0.00 C ATOM 0 H VAL A 46 -0.739 7.400 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 46 0.493 6.634 -8.498 1.00 0.00 H new ATOM 0 HB VAL A 46 1.252 4.607 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.161 5.655 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.806 6.493 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.268 7.195 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.472 4.470 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.447 5.918 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.220 4.424 -5.501 1.00 0.00 H new ATOM 649 N HIS A 47 -1.017 4.632 -8.883 1.00 0.00 N ATOM 650 CA HIS A 47 -2.057 3.720 -9.389 1.00 0.00 C ATOM 651 C HIS A 47 -1.754 2.268 -8.995 1.00 0.00 C ATOM 652 O HIS A 47 -0.776 1.665 -9.439 1.00 0.00 O ATOM 653 CB HIS A 47 -2.223 3.866 -10.902 1.00 0.00 C ATOM 654 CG HIS A 47 -3.012 5.144 -11.298 1.00 0.00 C ATOM 655 ND1 HIS A 47 -4.267 5.166 -11.678 1.00 0.00 N ATOM 656 CD2 HIS A 47 -2.513 6.366 -11.379 1.00 0.00 C ATOM 657 CE1 HIS A 47 -4.559 6.433 -12.031 1.00 0.00 C ATOM 658 NE2 HIS A 47 -3.479 7.171 -11.838 1.00 0.00 N ATOM 0 H HIS A 47 -0.129 4.541 -9.376 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.004 3.996 -8.925 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.239 3.892 -11.370 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.739 2.989 -11.293 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.507 6.661 -11.121 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.509 6.784 -12.406 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.397 8.173 -12.008 1.00 0.00 H new ATOM 666 N PHE A 48 -2.513 1.850 -7.990 1.00 0.00 N ATOM 667 CA PHE A 48 -2.487 0.515 -7.375 1.00 0.00 C ATOM 668 C PHE A 48 -3.271 -0.473 -8.255 1.00 0.00 C ATOM 669 O PHE A 48 -4.503 -0.493 -8.281 1.00 0.00 O ATOM 670 CB PHE A 48 -3.119 0.602 -5.983 1.00 0.00 C ATOM 671 CG PHE A 48 -2.437 -0.307 -4.958 1.00 0.00 C ATOM 672 CD1 PHE A 48 -2.400 -1.685 -5.128 1.00 0.00 C ATOM 673 CD2 PHE A 48 -1.826 0.255 -3.847 1.00 0.00 C ATOM 674 CE1 PHE A 48 -1.768 -2.472 -4.179 1.00 0.00 C ATOM 675 CE2 PHE A 48 -1.156 -0.527 -2.919 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.123 -1.904 -3.087 1.00 0.00 C ATOM 0 H PHE A 48 -3.203 2.461 -7.553 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.459 0.163 -7.286 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.073 1.633 -5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.174 0.335 -6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.860 -2.139 -5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.873 1.324 -3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.777 -3.546 -4.290 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.664 -0.069 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.601 -2.528 -2.376 1.00 0.00 H new ATOM 686 N LYS A 49 -2.507 -1.236 -9.021 1.00 0.00 N ATOM 687 CA LYS A 49 -3.045 -2.262 -9.935 1.00 0.00 C ATOM 688 C LYS A 49 -2.832 -3.654 -9.330 1.00 0.00 C ATOM 689 O LYS A 49 -1.705 -4.101 -9.140 1.00 0.00 O ATOM 690 CB LYS A 49 -2.398 -2.130 -11.320 1.00 0.00 C ATOM 691 CG LYS A 49 -2.845 -3.223 -12.305 1.00 0.00 C ATOM 692 CD LYS A 49 -3.178 -2.651 -13.687 1.00 0.00 C ATOM 693 CE LYS A 49 -1.951 -2.269 -14.510 1.00 0.00 C ATOM 694 NZ LYS A 49 -1.394 -3.462 -15.160 1.00 0.00 N ATOM 0 H LYS A 49 -1.489 -1.170 -9.035 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.117 -2.115 -10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.643 -1.153 -11.736 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.314 -2.168 -11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.055 -3.968 -12.402 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.720 -3.736 -11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.762 -3.385 -14.242 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.809 -1.771 -13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.223 -1.528 -15.262 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.200 -1.810 -13.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.559 -3.195 -15.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.119 -4.155 -14.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.110 -3.882 -15.787 1.00 0.00 H new ATOM 708 N VAL A 50 -3.944 -4.242 -8.909 1.00 0.00 N ATOM 709 CA VAL A 50 -3.958 -5.588 -8.303 1.00 0.00 C ATOM 710 C VAL A 50 -4.484 -6.585 -9.348 1.00 0.00 C ATOM 711 O VAL A 50 -5.652 -6.580 -9.730 1.00 0.00 O ATOM 712 CB VAL A 50 -4.806 -5.601 -7.014 1.00 0.00 C ATOM 713 CG1 VAL A 50 -4.792 -6.965 -6.314 1.00 0.00 C ATOM 714 CG2 VAL A 50 -4.395 -4.514 -6.014 1.00 0.00 C ATOM 0 H VAL A 50 -4.865 -3.809 -8.973 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.949 -5.879 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.821 -5.390 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.404 -6.918 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.193 -7.723 -6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.768 -7.225 -6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.028 -4.575 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.354 -4.660 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.510 -3.533 -6.475 1.00 0.00 H new ATOM 724 N SER A 51 -3.535 -7.314 -9.913 1.00 0.00 N ATOM 725 CA SER A 51 -3.782 -8.388 -10.892 1.00 0.00 C ATOM 726 C SER A 51 -3.579 -9.748 -10.219 1.00 0.00 C ATOM 727 O SER A 51 -3.041 -9.795 -9.114 1.00 0.00 O ATOM 728 CB SER A 51 -2.823 -8.256 -12.075 1.00 0.00 C ATOM 729 OG SER A 51 -3.331 -7.231 -12.926 1.00 0.00 O ATOM 0 H SER A 51 -2.545 -7.181 -9.706 1.00 0.00 H new ATOM 0 HA SER A 51 -4.806 -8.307 -11.256 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.820 -8.005 -11.729 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.748 -9.200 -12.615 1.00 0.00 H new ATOM 0 HG SER A 51 -2.735 -7.120 -13.696 1.00 0.00 H new ATOM 735 N ALA A 52 -4.076 -10.797 -10.876 1.00 0.00 N ATOM 736 CA ALA A 52 -4.016 -12.199 -10.396 1.00 0.00 C ATOM 737 C ALA A 52 -2.616 -12.566 -9.882 1.00 0.00 C ATOM 738 O ALA A 52 -1.664 -12.686 -10.656 1.00 0.00 O ATOM 739 CB ALA A 52 -4.439 -13.128 -11.540 1.00 0.00 C ATOM 0 H ALA A 52 -4.544 -10.705 -11.778 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.698 -12.314 -9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.400 -14.163 -11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.456 -12.885 -11.849 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.763 -12.997 -12.385 1.00 0.00 H new ATOM 745 N GLN A 53 -2.484 -12.433 -8.559 1.00 0.00 N ATOM 746 CA GLN A 53 -1.206 -12.511 -7.820 1.00 0.00 C ATOM 747 C GLN A 53 -0.140 -11.559 -8.423 1.00 0.00 C ATOM 748 O GLN A 53 0.796 -11.978 -9.108 1.00 0.00 O ATOM 749 CB GLN A 53 -0.769 -13.983 -7.790 1.00 0.00 C ATOM 750 CG GLN A 53 0.574 -14.216 -7.090 1.00 0.00 C ATOM 751 CD GLN A 53 1.259 -15.442 -7.680 1.00 0.00 C ATOM 752 OE1 GLN A 53 1.423 -16.472 -7.043 1.00 0.00 O ATOM 753 NE2 GLN A 53 1.745 -15.313 -8.893 1.00 0.00 N ATOM 0 H GLN A 53 -3.283 -12.263 -7.948 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.333 -12.166 -6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.537 -14.570 -7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.704 -14.354 -8.813 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.212 -13.340 -7.207 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.417 -14.355 -6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.599 -14.447 -9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.268 -16.079 -9.317 1.00 0.00 H new ATOM 762 N GLY A 54 -0.272 -10.269 -8.090 1.00 0.00 N ATOM 763 CA GLY A 54 0.649 -9.239 -8.616 1.00 0.00 C ATOM 764 C GLY A 54 0.070 -7.827 -8.503 1.00 0.00 C ATOM 765 O GLY A 54 -1.046 -7.554 -8.929 1.00 0.00 O ATOM 0 H GLY A 54 -0.996 -9.911 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.592 -9.287 -8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.873 -9.455 -9.661 1.00 0.00 H new ATOM 769 N ILE A 55 0.794 -7.010 -7.759 1.00 0.00 N ATOM 770 CA ILE A 55 0.430 -5.613 -7.471 1.00 0.00 C ATOM 771 C ILE A 55 1.458 -4.683 -8.128 1.00 0.00 C ATOM 772 O ILE A 55 2.661 -4.918 -8.074 1.00 0.00 O ATOM 773 CB ILE A 55 0.329 -5.480 -5.936 1.00 0.00 C ATOM 774 CG1 ILE A 55 -1.057 -5.908 -5.430 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.740 -4.120 -5.355 1.00 0.00 C ATOM 776 CD1 ILE A 55 -1.288 -7.421 -5.377 1.00 0.00 C ATOM 0 H ILE A 55 1.672 -7.294 -7.324 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.534 -5.323 -7.890 1.00 0.00 H new ATOM 0 HB ILE A 55 1.083 -6.170 -5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.205 -5.498 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.816 -5.462 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.630 -4.139 -4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.779 -3.914 -5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.103 -3.339 -5.771 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.293 -7.623 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.178 -7.841 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.558 -7.877 -4.709 1.00 0.00 H new ATOM 788 N THR A 56 0.948 -3.617 -8.715 1.00 0.00 N ATOM 789 CA THR A 56 1.773 -2.596 -9.382 1.00 0.00 C ATOM 790 C THR A 56 1.427 -1.211 -8.832 1.00 0.00 C ATOM 791 O THR A 56 0.276 -0.923 -8.510 1.00 0.00 O ATOM 792 CB THR A 56 1.606 -2.709 -10.906 1.00 0.00 C ATOM 793 OG1 THR A 56 1.994 -4.039 -11.270 1.00 0.00 O ATOM 794 CG2 THR A 56 2.451 -1.702 -11.696 1.00 0.00 C ATOM 0 H THR A 56 -0.053 -3.423 -8.749 1.00 0.00 H new ATOM 0 HA THR A 56 2.830 -2.759 -9.171 1.00 0.00 H new ATOM 0 HB THR A 56 0.568 -2.488 -11.154 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.900 -4.154 -12.239 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.281 -1.842 -12.763 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.167 -0.688 -11.413 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.506 -1.859 -11.473 1.00 0.00 H new ATOM 802 N LEU A 57 2.505 -0.491 -8.551 1.00 0.00 N ATOM 803 CA LEU A 57 2.469 0.875 -8.008 1.00 0.00 C ATOM 804 C LEU A 57 3.321 1.836 -8.833 1.00 0.00 C ATOM 805 O LEU A 57 4.544 1.707 -8.879 1.00 0.00 O ATOM 806 CB LEU A 57 2.913 0.857 -6.545 1.00 0.00 C ATOM 807 CG LEU A 57 1.781 0.315 -5.674 1.00 0.00 C ATOM 808 CD1 LEU A 57 2.333 -0.248 -4.368 1.00 0.00 C ATOM 809 CD2 LEU A 57 0.783 1.439 -5.397 1.00 0.00 C ATOM 0 H LEU A 57 3.452 -0.841 -8.695 1.00 0.00 H new ATOM 0 HA LEU A 57 1.444 1.241 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.802 0.237 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.183 1.863 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 57 1.275 -0.495 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.512 -0.629 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.030 -1.057 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.852 0.540 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.028 1.060 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.288 2.254 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.377 1.806 -6.340 1.00 0.00 H new ATOM 821 N THR A 58 2.604 2.620 -9.625 1.00 0.00 N ATOM 822 CA THR A 58 3.197 3.644 -10.508 1.00 0.00 C ATOM 823 C THR A 58 2.723 5.056 -10.139 1.00 0.00 C ATOM 824 O THR A 58 1.546 5.263 -9.855 1.00 0.00 O ATOM 825 CB THR A 58 2.906 3.348 -11.992 1.00 0.00 C ATOM 826 OG1 THR A 58 3.545 4.348 -12.791 1.00 0.00 O ATOM 827 CG2 THR A 58 1.416 3.228 -12.345 1.00 0.00 C ATOM 0 H THR A 58 1.587 2.572 -9.682 1.00 0.00 H new ATOM 0 HA THR A 58 4.276 3.603 -10.359 1.00 0.00 H new ATOM 0 HB THR A 58 3.313 2.359 -12.204 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.369 4.171 -13.739 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.310 3.019 -13.410 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.970 2.417 -11.770 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.909 4.163 -12.106 1.00 0.00 H new ATOM 835 N ASP A 59 3.651 5.998 -10.231 1.00 0.00 N ATOM 836 CA ASP A 59 3.399 7.438 -10.011 1.00 0.00 C ATOM 837 C ASP A 59 2.962 8.120 -11.316 1.00 0.00 C ATOM 838 O ASP A 59 3.754 8.253 -12.245 1.00 0.00 O ATOM 839 CB ASP A 59 4.639 8.147 -9.436 1.00 0.00 C ATOM 840 CG ASP A 59 5.907 8.054 -10.300 1.00 0.00 C ATOM 841 OD1 ASP A 59 6.168 6.945 -10.803 1.00 0.00 O ATOM 842 OD2 ASP A 59 6.592 9.090 -10.436 1.00 0.00 O ATOM 0 H ASP A 59 4.622 5.792 -10.464 1.00 0.00 H new ATOM 0 HA ASP A 59 2.593 7.519 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.398 9.199 -9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.856 7.725 -8.455 1.00 0.00 H new ATOM 847 N ASN A 60 1.733 8.618 -11.305 1.00 0.00 N ATOM 848 CA ASN A 60 1.208 9.406 -12.443 1.00 0.00 C ATOM 849 C ASN A 60 1.071 10.903 -12.104 1.00 0.00 C ATOM 850 O ASN A 60 0.710 11.725 -12.945 1.00 0.00 O ATOM 851 CB ASN A 60 -0.128 8.800 -12.889 1.00 0.00 C ATOM 852 CG ASN A 60 -0.457 9.151 -14.341 1.00 0.00 C ATOM 853 OD1 ASN A 60 0.034 8.547 -15.288 1.00 0.00 O ATOM 854 ND2 ASN A 60 -1.253 10.172 -14.549 1.00 0.00 N ATOM 0 H ASN A 60 1.076 8.499 -10.534 1.00 0.00 H new ATOM 0 HA ASN A 60 1.922 9.354 -13.265 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.091 7.716 -12.777 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.925 9.160 -12.239 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.466 10.467 -15.502 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.659 10.671 -13.758 1.00 0.00 H new ATOM 861 N GLN A 61 1.428 11.253 -10.869 1.00 0.00 N ATOM 862 CA GLN A 61 1.399 12.649 -10.410 1.00 0.00 C ATOM 863 C GLN A 61 2.691 13.421 -10.707 1.00 0.00 C ATOM 864 O GLN A 61 2.651 14.545 -11.196 1.00 0.00 O ATOM 865 CB GLN A 61 1.066 12.681 -8.919 1.00 0.00 C ATOM 866 CG GLN A 61 -0.003 13.747 -8.678 1.00 0.00 C ATOM 867 CD GLN A 61 -1.276 13.494 -9.498 1.00 0.00 C ATOM 868 OE1 GLN A 61 -1.706 12.375 -9.767 1.00 0.00 O ATOM 869 NE2 GLN A 61 -1.928 14.560 -9.887 1.00 0.00 N ATOM 0 H GLN A 61 1.743 10.588 -10.162 1.00 0.00 H new ATOM 0 HA GLN A 61 0.622 13.162 -10.977 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.707 11.705 -8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.960 12.904 -8.337 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.256 13.771 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.401 14.727 -8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.569 15.488 -9.662 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.795 14.463 -10.415 1.00 0.00 H new ATOM 983 N ARG A 67 8.001 2.087 -11.784 1.00 0.00 N ATOM 984 CA ARG A 67 6.913 1.448 -11.022 1.00 0.00 C ATOM 985 C ARG A 67 7.445 0.226 -10.268 1.00 0.00 C ATOM 986 O ARG A 67 8.465 -0.364 -10.627 1.00 0.00 O ATOM 987 CB ARG A 67 5.735 1.083 -11.934 1.00 0.00 C ATOM 988 CG ARG A 67 6.048 0.025 -12.994 1.00 0.00 C ATOM 989 CD ARG A 67 5.834 0.590 -14.399 1.00 0.00 C ATOM 990 NE ARG A 67 7.107 0.692 -15.136 1.00 0.00 N ATOM 991 CZ ARG A 67 7.849 -0.320 -15.609 1.00 0.00 C ATOM 992 NH1 ARG A 67 7.502 -1.590 -15.434 1.00 0.00 N ATOM 993 NH2 ARG A 67 8.957 -0.070 -16.283 1.00 0.00 N ATOM 0 HA ARG A 67 6.537 2.161 -10.289 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.912 0.725 -11.315 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.388 1.987 -12.434 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.079 -0.313 -12.885 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.410 -0.846 -12.846 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.143 -0.049 -14.949 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.371 1.575 -14.331 1.00 0.00 H new ATOM 0 HE ARG A 67 7.461 1.634 -15.304 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.648 -1.820 -14.926 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.090 -2.335 -15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.249 0.894 -16.444 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.520 -0.841 -16.642 1.00 0.00 H new ATOM 1007 N ARG A 68 6.730 -0.106 -9.206 1.00 0.00 N ATOM 1008 CA ARG A 68 7.033 -1.302 -8.401 1.00 0.00 C ATOM 1009 C ARG A 68 5.981 -2.393 -8.648 1.00 0.00 C ATOM 1010 O ARG A 68 4.817 -2.118 -8.934 1.00 0.00 O ATOM 1011 CB ARG A 68 7.068 -0.914 -6.923 1.00 0.00 C ATOM 1012 CG ARG A 68 7.879 -1.915 -6.101 1.00 0.00 C ATOM 1013 CD ARG A 68 9.185 -1.282 -5.629 1.00 0.00 C ATOM 1014 NE ARG A 68 9.879 -2.193 -4.704 1.00 0.00 N ATOM 1015 CZ ARG A 68 11.139 -2.070 -4.279 1.00 0.00 C ATOM 1016 NH1 ARG A 68 11.911 -1.066 -4.682 1.00 0.00 N ATOM 1017 NH2 ARG A 68 11.650 -2.952 -3.439 1.00 0.00 N ATOM 0 H ARG A 68 5.930 0.431 -8.871 1.00 0.00 H new ATOM 0 HA ARG A 68 8.005 -1.700 -8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.501 0.081 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.051 -0.862 -6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.296 -2.246 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.092 -2.800 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.823 -1.064 -6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.981 -0.333 -5.133 1.00 0.00 H new ATOM 0 HE ARG A 68 9.349 -2.992 -4.356 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.544 -0.369 -5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.870 -0.993 -4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.082 -3.733 -3.111 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.613 -2.852 -3.118 1.00 0.00 H new ATOM 1031 N HIS A 69 6.452 -3.627 -8.502 1.00 0.00 N ATOM 1032 CA HIS A 69 5.645 -4.851 -8.629 1.00 0.00 C ATOM 1033 C HIS A 69 5.853 -5.736 -7.389 1.00 0.00 C ATOM 1034 O HIS A 69 6.937 -6.262 -7.145 1.00 0.00 O ATOM 1035 CB HIS A 69 5.997 -5.540 -9.952 1.00 0.00 C ATOM 1036 CG HIS A 69 5.673 -7.053 -10.087 1.00 0.00 C ATOM 1037 ND1 HIS A 69 6.492 -7.895 -10.666 1.00 0.00 N ATOM 1038 CD2 HIS A 69 4.691 -7.739 -9.518 1.00 0.00 C ATOM 1039 CE1 HIS A 69 6.049 -9.139 -10.421 1.00 0.00 C ATOM 1040 NE2 HIS A 69 4.937 -9.038 -9.706 1.00 0.00 N ATOM 0 H HIS A 69 7.431 -3.816 -8.286 1.00 0.00 H new ATOM 0 HA HIS A 69 4.579 -4.625 -8.663 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.478 -5.013 -10.753 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.065 -5.409 -10.124 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.843 -7.321 -8.995 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.515 -10.057 -10.748 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.371 -9.813 -9.361 1.00 0.00 H new ATOM 1048 N TYR A 70 4.745 -5.932 -6.692 1.00 0.00 N ATOM 1049 CA TYR A 70 4.658 -6.756 -5.478 1.00 0.00 C ATOM 1050 C TYR A 70 3.687 -7.937 -5.680 1.00 0.00 C ATOM 1051 O TYR A 70 2.479 -7.726 -5.727 1.00 0.00 O ATOM 1052 CB TYR A 70 4.229 -5.910 -4.275 1.00 0.00 C ATOM 1053 CG TYR A 70 5.303 -4.886 -3.907 1.00 0.00 C ATOM 1054 CD1 TYR A 70 6.538 -5.320 -3.443 1.00 0.00 C ATOM 1055 CD2 TYR A 70 4.993 -3.534 -3.915 1.00 0.00 C ATOM 1056 CE1 TYR A 70 7.461 -4.403 -2.963 1.00 0.00 C ATOM 1057 CE2 TYR A 70 5.911 -2.614 -3.433 1.00 0.00 C ATOM 1058 CZ TYR A 70 7.141 -3.049 -2.955 1.00 0.00 C ATOM 1059 OH TYR A 70 7.964 -2.154 -2.358 1.00 0.00 O ATOM 0 H TYR A 70 3.852 -5.515 -6.955 1.00 0.00 H new ATOM 0 HA TYR A 70 5.650 -7.161 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.296 -5.396 -4.503 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.034 -6.559 -3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.780 -6.373 -3.456 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.039 -3.199 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.421 -4.737 -2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.671 -1.561 -3.429 1.00 0.00 H new ATOM 0 HH TYR A 70 7.429 -1.473 -1.899 1.00 0.00 H new ATOM 1069 N PRO A 71 4.213 -9.136 -5.942 1.00 0.00 N ATOM 1070 CA PRO A 71 3.367 -10.335 -6.112 1.00 0.00 C ATOM 1071 C PRO A 71 2.667 -10.713 -4.801 1.00 0.00 C ATOM 1072 O PRO A 71 3.138 -10.398 -3.710 1.00 0.00 O ATOM 1073 CB PRO A 71 4.314 -11.418 -6.632 1.00 0.00 C ATOM 1074 CG PRO A 71 5.697 -10.990 -6.141 1.00 0.00 C ATOM 1075 CD PRO A 71 5.644 -9.463 -6.093 1.00 0.00 C ATOM 0 HA PRO A 71 2.548 -10.176 -6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.043 -12.400 -6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.282 -11.483 -7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.914 -11.409 -5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.480 -11.337 -6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.228 -9.074 -5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.055 -9.025 -7.002 1.00 0.00 H new ATOM 1083 N LEU A 72 1.579 -11.465 -4.915 1.00 0.00 N ATOM 1084 CA LEU A 72 0.833 -11.937 -3.724 1.00 0.00 C ATOM 1085 C LEU A 72 1.631 -12.958 -2.886 1.00 0.00 C ATOM 1086 O LEU A 72 1.367 -13.142 -1.703 1.00 0.00 O ATOM 1087 CB LEU A 72 -0.520 -12.502 -4.155 1.00 0.00 C ATOM 1088 CG LEU A 72 -1.587 -12.452 -3.060 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -2.220 -11.060 -2.953 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -2.643 -13.516 -3.359 1.00 0.00 C ATOM 0 H LEU A 72 1.185 -11.766 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 72 0.671 -11.079 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.876 -11.946 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.387 -13.536 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.122 -12.657 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.973 -11.062 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.449 -10.327 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.689 -10.799 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.412 -13.493 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.098 -13.315 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.174 -14.500 -3.375 1.00 0.00 H new ATOM 1102 N ASN A 73 2.735 -13.432 -3.467 1.00 0.00 N ATOM 1103 CA ASN A 73 3.699 -14.336 -2.813 1.00 0.00 C ATOM 1104 C ASN A 73 4.590 -13.605 -1.788 1.00 0.00 C ATOM 1105 O ASN A 73 5.440 -14.198 -1.127 1.00 0.00 O ATOM 1106 CB ASN A 73 4.569 -14.979 -3.897 1.00 0.00 C ATOM 1107 CG ASN A 73 4.848 -16.455 -3.599 1.00 0.00 C ATOM 1108 OD1 ASN A 73 4.445 -17.033 -2.599 1.00 0.00 O ATOM 1109 ND2 ASN A 73 5.487 -17.130 -4.524 1.00 0.00 N ATOM 0 H ASN A 73 2.994 -13.197 -4.425 1.00 0.00 H new ATOM 0 HA ASN A 73 3.141 -15.092 -2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.071 -14.891 -4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.513 -14.439 -3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.645 -18.131 -4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.826 -16.654 -5.360 1.00 0.00 H new ATOM 1116 N THR A 74 4.521 -12.277 -1.837 1.00 0.00 N ATOM 1117 CA THR A 74 5.338 -11.391 -0.990 1.00 0.00 C ATOM 1118 C THR A 74 4.455 -10.594 -0.029 1.00 0.00 C ATOM 1119 O THR A 74 4.749 -10.561 1.164 1.00 0.00 O ATOM 1120 CB THR A 74 6.212 -10.460 -1.843 1.00 0.00 C ATOM 1121 OG1 THR A 74 5.429 -9.461 -2.509 1.00 0.00 O ATOM 1122 CG2 THR A 74 7.015 -11.292 -2.847 1.00 0.00 C ATOM 0 H THR A 74 3.895 -11.776 -2.467 1.00 0.00 H new ATOM 0 HA THR A 74 6.005 -12.014 -0.395 1.00 0.00 H new ATOM 0 HB THR A 74 6.901 -9.932 -1.184 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.663 -9.885 -2.948 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.636 -10.632 -3.453 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.651 -11.996 -2.310 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.331 -11.841 -3.494 1.00 0.00 H new ATOM 1130 N VAL A 75 3.353 -10.051 -0.548 1.00 0.00 N ATOM 1131 CA VAL A 75 2.354 -9.314 0.243 1.00 0.00 C ATOM 1132 C VAL A 75 1.485 -10.297 1.058 1.00 0.00 C ATOM 1133 O VAL A 75 0.266 -10.385 0.925 1.00 0.00 O ATOM 1134 CB VAL A 75 1.602 -8.329 -0.678 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.705 -8.974 -1.740 1.00 0.00 C ATOM 1136 CG2 VAL A 75 0.822 -7.305 0.139 1.00 0.00 C ATOM 0 H VAL A 75 3.122 -10.109 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 75 2.820 -8.688 1.004 1.00 0.00 H new ATOM 0 HB VAL A 75 2.388 -7.830 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.224 -8.195 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.309 -9.605 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.057 -9.582 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.301 -6.623 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.096 -7.819 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.511 -6.740 0.767 1.00 0.00 H new ATOM 1146 N THR A 76 2.167 -10.921 2.010 1.00 0.00 N ATOM 1147 CA THR A 76 1.607 -11.945 2.919 1.00 0.00 C ATOM 1148 C THR A 76 0.431 -11.360 3.719 1.00 0.00 C ATOM 1149 O THR A 76 -0.578 -12.018 3.952 1.00 0.00 O ATOM 1150 CB THR A 76 2.690 -12.487 3.867 1.00 0.00 C ATOM 1151 OG1 THR A 76 3.256 -11.423 4.637 1.00 0.00 O ATOM 1152 CG2 THR A 76 3.814 -13.206 3.113 1.00 0.00 C ATOM 0 H THR A 76 3.154 -10.732 2.186 1.00 0.00 H new ATOM 0 HA THR A 76 1.240 -12.776 2.317 1.00 0.00 H new ATOM 0 HB THR A 76 2.201 -13.208 4.522 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.942 -11.783 5.237 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.554 -13.571 3.825 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.399 -14.047 2.558 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.289 -12.512 2.419 1.00 0.00 H new ATOM 1160 N PHE A 77 0.586 -10.084 4.052 1.00 0.00 N ATOM 1161 CA PHE A 77 -0.449 -9.263 4.695 1.00 0.00 C ATOM 1162 C PHE A 77 -0.608 -7.923 3.981 1.00 0.00 C ATOM 1163 O PHE A 77 0.391 -7.240 3.759 1.00 0.00 O ATOM 1164 CB PHE A 77 -0.006 -8.999 6.129 1.00 0.00 C ATOM 1165 CG PHE A 77 -0.995 -9.517 7.161 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -1.678 -10.714 6.999 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -1.195 -8.738 8.291 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -2.586 -11.118 7.965 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -2.106 -9.138 9.251 1.00 0.00 C ATOM 1170 CZ PHE A 77 -2.803 -10.331 9.088 1.00 0.00 C ATOM 0 H PHE A 77 1.453 -9.574 3.881 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.403 -9.790 4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.964 -9.468 6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.130 -7.927 6.270 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.503 -11.326 6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.640 -7.821 8.421 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.125 -12.046 7.844 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.276 -8.526 10.125 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.515 -10.646 9.837 1.00 0.00 H new ATOM 1180 N CYS A 78 -1.861 -7.503 3.843 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.218 -6.185 3.283 1.00 0.00 C ATOM 1182 C CYS A 78 -3.516 -5.666 3.915 1.00 0.00 C ATOM 1183 O CYS A 78 -4.631 -5.964 3.486 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.337 -6.238 1.758 1.00 0.00 C ATOM 1185 SG CYS A 78 -2.459 -4.572 1.009 1.00 0.00 S ATOM 0 H CYS A 78 -2.669 -8.063 4.115 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.414 -5.490 3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.471 -6.756 1.346 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.216 -6.821 1.485 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.936 -4.592 -0.181 1.00 0.00 H new ATOM 1191 N ASP A 79 -3.319 -5.017 5.052 1.00 0.00 N ATOM 1192 CA ASP A 79 -4.418 -4.426 5.836 1.00 0.00 C ATOM 1193 C ASP A 79 -4.121 -2.983 6.260 1.00 0.00 C ATOM 1194 O ASP A 79 -2.997 -2.493 6.195 1.00 0.00 O ATOM 1195 CB ASP A 79 -4.758 -5.295 7.054 1.00 0.00 C ATOM 1196 CG ASP A 79 -5.380 -6.636 6.647 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -6.573 -6.616 6.277 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -4.641 -7.641 6.732 1.00 0.00 O ATOM 0 H ASP A 79 -2.397 -4.879 5.466 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.290 -4.394 5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.853 -5.476 7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.449 -4.756 7.702 1.00 0.00 H new ATOM 1203 N LEU A 80 -5.172 -2.286 6.662 1.00 0.00 N ATOM 1204 CA LEU A 80 -5.025 -0.924 7.207 1.00 0.00 C ATOM 1205 C LEU A 80 -4.335 -0.974 8.577 1.00 0.00 C ATOM 1206 O LEU A 80 -4.200 -2.035 9.187 1.00 0.00 O ATOM 1207 CB LEU A 80 -6.390 -0.259 7.357 1.00 0.00 C ATOM 1208 CG LEU A 80 -7.056 -0.020 6.005 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -8.358 -0.812 5.932 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -7.336 1.468 5.852 1.00 0.00 C ATOM 0 H LEU A 80 -6.133 -2.627 6.626 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.417 -0.343 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.034 -0.886 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.276 0.691 7.879 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.400 -0.350 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.834 -0.641 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.145 -1.875 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.027 -0.487 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.812 1.651 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.998 1.798 6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.399 2.022 5.905 1.00 0.00 H new ATOM 1222 N ASP A 81 -3.894 0.193 9.033 1.00 0.00 N ATOM 1223 CA ASP A 81 -3.283 0.327 10.365 1.00 0.00 C ATOM 1224 C ASP A 81 -4.224 -0.195 11.483 1.00 0.00 C ATOM 1225 O ASP A 81 -5.357 0.275 11.581 1.00 0.00 O ATOM 1226 CB ASP A 81 -2.889 1.796 10.540 1.00 0.00 C ATOM 1227 CG ASP A 81 -2.363 2.096 11.940 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -1.283 1.579 12.294 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -3.197 2.611 12.707 1.00 0.00 O ATOM 0 H ASP A 81 -3.945 1.064 8.505 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.391 -0.294 10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.126 2.054 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.754 2.428 10.337 1.00 0.00 H new ATOM 1234 N PRO A 82 -3.725 -1.084 12.356 1.00 0.00 N ATOM 1235 CA PRO A 82 -4.493 -1.617 13.501 1.00 0.00 C ATOM 1236 C PRO A 82 -4.787 -0.574 14.593 1.00 0.00 C ATOM 1237 O PRO A 82 -5.796 -0.671 15.280 1.00 0.00 O ATOM 1238 CB PRO A 82 -3.678 -2.804 14.014 1.00 0.00 C ATOM 1239 CG PRO A 82 -2.241 -2.432 13.658 1.00 0.00 C ATOM 1240 CD PRO A 82 -2.370 -1.676 12.333 1.00 0.00 C ATOM 0 HA PRO A 82 -5.492 -1.921 13.187 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -3.802 -2.942 15.088 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.981 -3.735 13.536 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.787 -1.810 14.430 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.614 -3.317 13.553 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.605 -0.905 12.243 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.248 -2.347 11.483 1.00 0.00 H new ATOM 1248 N GLN A 83 -3.985 0.489 14.625 1.00 0.00 N ATOM 1249 CA GLN A 83 -4.181 1.637 15.533 1.00 0.00 C ATOM 1250 C GLN A 83 -5.201 2.666 15.014 1.00 0.00 C ATOM 1251 O GLN A 83 -5.241 3.797 15.496 1.00 0.00 O ATOM 1252 CB GLN A 83 -2.821 2.311 15.772 1.00 0.00 C ATOM 1253 CG GLN A 83 -2.058 1.680 16.936 1.00 0.00 C ATOM 1254 CD GLN A 83 -2.804 1.902 18.253 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -3.145 3.009 18.652 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -3.092 0.830 18.951 1.00 0.00 N ATOM 0 H GLN A 83 -3.171 0.586 14.019 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.596 1.251 16.464 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.219 2.242 14.866 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.974 3.371 15.973 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.932 0.612 16.759 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.059 2.112 17.000 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.806 -0.090 18.615 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.602 0.916 19.830 1.00 0.00 H new ATOM 1265 N GLU A 84 -6.024 2.261 14.035 1.00 0.00 N ATOM 1266 CA GLU A 84 -7.032 3.117 13.373 1.00 0.00 C ATOM 1267 C GLU A 84 -6.558 4.562 13.119 1.00 0.00 C ATOM 1268 O GLU A 84 -7.169 5.549 13.526 1.00 0.00 O ATOM 1269 CB GLU A 84 -8.342 3.060 14.163 1.00 0.00 C ATOM 1270 CG GLU A 84 -9.209 1.895 13.688 1.00 0.00 C ATOM 1271 CD GLU A 84 -10.208 1.486 14.773 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -11.172 2.252 14.996 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -9.973 0.408 15.356 1.00 0.00 O ATOM 0 H GLU A 84 -6.010 1.309 13.670 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.199 2.715 12.374 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.127 2.950 15.226 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.886 3.997 14.043 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.745 2.180 12.782 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.576 1.046 13.431 1.00 0.00 H new ATOM 1280 N ARG A 85 -5.376 4.621 12.528 1.00 0.00 N ATOM 1281 CA ARG A 85 -4.705 5.887 12.197 1.00 0.00 C ATOM 1282 C ARG A 85 -4.942 6.292 10.744 1.00 0.00 C ATOM 1283 O ARG A 85 -5.444 5.517 9.924 1.00 0.00 O ATOM 1284 CB ARG A 85 -3.209 5.798 12.473 1.00 0.00 C ATOM 1285 CG ARG A 85 -2.886 5.910 13.959 1.00 0.00 C ATOM 1286 CD ARG A 85 -1.464 6.449 14.066 1.00 0.00 C ATOM 1287 NE ARG A 85 -0.971 6.353 15.443 1.00 0.00 N ATOM 1288 CZ ARG A 85 0.302 6.518 15.813 1.00 0.00 C ATOM 1289 NH1 ARG A 85 1.244 6.875 14.946 1.00 0.00 N ATOM 1290 NH2 ARG A 85 0.643 6.347 17.076 1.00 0.00 N ATOM 0 H ARG A 85 -4.845 3.793 12.259 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.140 6.655 12.837 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.827 4.851 12.091 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.694 6.591 11.931 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.590 6.577 14.458 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.968 4.938 14.446 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.807 5.889 13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.439 7.488 13.738 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.651 6.144 16.174 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.003 7.031 13.967 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.207 6.993 15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.064 6.090 17.765 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.614 6.472 17.364 1.00 0.00 H new ATOM 1304 N LYS A 86 -4.622 7.552 10.476 1.00 0.00 N ATOM 1305 CA LYS A 86 -4.909 8.185 9.177 1.00 0.00 C ATOM 1306 C LYS A 86 -3.720 9.070 8.807 1.00 0.00 C ATOM 1307 O LYS A 86 -3.257 9.852 9.636 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.184 9.036 9.277 1.00 0.00 C ATOM 1309 CG LYS A 86 -7.336 8.254 9.914 1.00 0.00 C ATOM 1310 CD LYS A 86 -8.666 8.991 9.958 1.00 0.00 C ATOM 1311 CE LYS A 86 -9.658 8.126 10.733 1.00 0.00 C ATOM 1312 NZ LYS A 86 -10.977 8.767 10.758 1.00 0.00 N ATOM 0 H LYS A 86 -4.158 8.168 11.143 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.064 7.423 8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.980 9.930 9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.477 9.371 8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.472 7.323 9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.053 7.984 10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.548 9.961 10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.031 9.179 8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.733 7.142 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.300 7.973 11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.643 8.170 11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.903 9.696 11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.321 8.890 9.785 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.228 8.894 7.582 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.104 9.701 7.065 1.00 0.00 C ATOM 1328 C TRP A 87 -2.468 11.195 7.113 1.00 0.00 C ATOM 1329 O TRP A 87 -3.640 11.578 7.114 1.00 0.00 O ATOM 1330 CB TRP A 87 -1.746 9.260 5.638 1.00 0.00 C ATOM 1331 CG TRP A 87 -0.674 10.130 4.957 1.00 0.00 C ATOM 1332 CD1 TRP A 87 -0.925 11.124 4.105 1.00 0.00 C ATOM 1333 CD2 TRP A 87 0.694 10.092 5.150 1.00 0.00 C ATOM 1334 NE1 TRP A 87 0.220 11.712 3.760 1.00 0.00 N ATOM 1335 CE2 TRP A 87 1.231 11.118 4.371 1.00 0.00 C ATOM 1336 CE3 TRP A 87 1.529 9.273 5.891 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 2.604 11.325 4.330 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 2.899 9.519 5.885 1.00 0.00 C ATOM 1339 CH2 TRP A 87 3.435 10.533 5.115 1.00 0.00 C ATOM 0 H TRP A 87 -3.584 8.202 6.923 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.227 9.543 7.693 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.396 8.228 5.666 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -2.650 9.274 5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.904 11.409 3.750 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.304 12.502 3.120 1.00 0.00 H new ATOM 0 HE3 TRP A 87 1.123 8.454 6.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.022 12.093 3.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 3.552 8.909 6.491 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.500 10.711 5.123 1.00 0.00 H new ATOM 1437 N PRO A 95 -8.396 13.867 6.804 1.00 0.00 N ATOM 1438 CA PRO A 95 -7.459 12.731 6.799 1.00 0.00 C ATOM 1439 C PRO A 95 -7.946 11.643 5.834 1.00 0.00 C ATOM 1440 O PRO A 95 -9.142 11.446 5.619 1.00 0.00 O ATOM 1441 CB PRO A 95 -7.407 12.277 8.257 1.00 0.00 C ATOM 1442 CG PRO A 95 -8.802 12.594 8.794 1.00 0.00 C ATOM 1443 CD PRO A 95 -9.185 13.875 8.056 1.00 0.00 C ATOM 0 HA PRO A 95 -6.461 12.986 6.443 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.181 11.214 8.336 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.635 12.809 8.813 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.505 11.787 8.588 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -8.793 12.740 9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.254 13.901 7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.958 14.756 8.657 1.00 0.00 H new ATOM 1451 N ALA A 96 -6.974 10.939 5.276 1.00 0.00 N ATOM 1452 CA ALA A 96 -7.229 9.887 4.278 1.00 0.00 C ATOM 1453 C ALA A 96 -6.693 8.563 4.818 1.00 0.00 C ATOM 1454 O ALA A 96 -5.491 8.432 5.062 1.00 0.00 O ATOM 1455 CB ALA A 96 -6.560 10.261 2.951 1.00 0.00 C ATOM 0 H ALA A 96 -5.987 11.072 5.494 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.298 9.785 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.751 9.480 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.967 11.206 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.485 10.363 3.101 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.631 7.707 5.234 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.315 6.357 5.743 1.00 0.00 C ATOM 1463 C LYS A 97 -6.148 5.702 4.996 1.00 0.00 C ATOM 1464 O LYS A 97 -6.134 5.645 3.764 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.527 5.421 5.719 1.00 0.00 C ATOM 1466 CG LYS A 97 -9.320 5.544 7.021 1.00 0.00 C ATOM 1467 CD LYS A 97 -9.582 4.169 7.641 1.00 0.00 C ATOM 1468 CE LYS A 97 -11.031 3.715 7.451 1.00 0.00 C ATOM 1469 NZ LYS A 97 -11.637 3.439 8.762 1.00 0.00 N ATOM 0 H LYS A 97 -8.628 7.923 5.230 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.017 6.509 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.167 5.666 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.197 4.391 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.770 6.166 7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.268 6.045 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.912 3.436 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.350 4.202 8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.599 4.486 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.064 2.821 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.622 3.131 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.100 2.689 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.619 4.302 9.342 1.00 0.00 H new ATOM 1483 N LEU A 98 -5.131 5.402 5.795 1.00 0.00 N ATOM 1484 CA LEU A 98 -3.881 4.831 5.277 1.00 0.00 C ATOM 1485 C LEU A 98 -3.764 3.357 5.676 1.00 0.00 C ATOM 1486 O LEU A 98 -4.204 2.913 6.737 1.00 0.00 O ATOM 1487 CB LEU A 98 -2.648 5.665 5.681 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.872 5.228 6.933 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -0.528 5.953 6.988 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.660 5.496 8.213 1.00 0.00 C ATOM 0 H LEU A 98 -5.142 5.542 6.805 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.912 4.872 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.954 5.668 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.973 6.695 5.830 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.709 4.152 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.018 5.640 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.054 5.708 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.696 7.029 7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.076 5.173 9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.868 6.563 8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.600 4.944 8.184 1.00 0.00 H new ATOM 1502 N PHE A 99 -3.175 2.633 4.747 1.00 0.00 N ATOM 1503 CA PHE A 99 -3.002 1.176 4.806 1.00 0.00 C ATOM 1504 C PHE A 99 -1.541 0.796 4.543 1.00 0.00 C ATOM 1505 O PHE A 99 -0.786 1.553 3.928 1.00 0.00 O ATOM 1506 CB PHE A 99 -3.952 0.511 3.803 1.00 0.00 C ATOM 1507 CG PHE A 99 -3.735 0.978 2.362 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -4.214 2.213 1.949 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -3.109 0.134 1.454 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -4.091 2.611 0.625 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -2.981 0.528 0.133 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.477 1.759 -0.281 1.00 0.00 C ATOM 0 H PHE A 99 -2.787 3.045 3.898 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.251 0.818 5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.821 -0.570 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.981 0.720 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.687 2.870 2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.725 -0.823 1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.468 3.571 0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.494 -0.123 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.384 2.054 -1.316 1.00 0.00 H new ATOM 1522 N GLY A 100 -1.197 -0.356 5.118 1.00 0.00 N ATOM 1523 CA GLY A 100 0.159 -0.917 5.031 1.00 0.00 C ATOM 1524 C GLY A 100 0.124 -2.417 4.748 1.00 0.00 C ATOM 1525 O GLY A 100 -0.780 -3.150 5.146 1.00 0.00 O ATOM 0 H GLY A 100 -1.846 -0.929 5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.715 -0.409 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.691 -0.734 5.965 1.00 0.00 H new ATOM 1529 N PHE A 101 1.166 -2.868 4.077 1.00 0.00 N ATOM 1530 CA PHE A 101 1.315 -4.300 3.791 1.00 0.00 C ATOM 1531 C PHE A 101 2.739 -4.786 4.044 1.00 0.00 C ATOM 1532 O PHE A 101 3.696 -4.033 3.884 1.00 0.00 O ATOM 1533 CB PHE A 101 0.856 -4.602 2.363 1.00 0.00 C ATOM 1534 CG PHE A 101 1.611 -3.863 1.267 1.00 0.00 C ATOM 1535 CD1 PHE A 101 2.915 -4.227 0.961 1.00 0.00 C ATOM 1536 CD2 PHE A 101 0.993 -2.806 0.612 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.623 -3.514 0.008 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.694 -2.112 -0.358 1.00 0.00 C ATOM 1539 CZ PHE A 101 3.009 -2.460 -0.656 1.00 0.00 C ATOM 0 H PHE A 101 1.919 -2.280 3.719 1.00 0.00 H new ATOM 0 HA PHE A 101 0.676 -4.853 4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.951 -5.674 2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.203 -4.358 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.376 -5.064 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.022 -2.529 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.646 -3.776 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.220 -1.298 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.554 -1.908 -1.407 1.00 0.00 H new ATOM 1549 N VAL A 102 2.837 -6.053 4.416 1.00 0.00 N ATOM 1550 CA VAL A 102 4.141 -6.701 4.636 1.00 0.00 C ATOM 1551 C VAL A 102 4.506 -7.557 3.414 1.00 0.00 C ATOM 1552 O VAL A 102 3.862 -8.555 3.099 1.00 0.00 O ATOM 1553 CB VAL A 102 4.246 -7.451 5.985 1.00 0.00 C ATOM 1554 CG1 VAL A 102 3.831 -6.546 7.141 1.00 0.00 C ATOM 1555 CG2 VAL A 102 3.437 -8.738 6.100 1.00 0.00 C ATOM 0 H VAL A 102 2.034 -6.662 4.575 1.00 0.00 H new ATOM 0 HA VAL A 102 4.894 -5.919 4.731 1.00 0.00 H new ATOM 0 HB VAL A 102 5.298 -7.733 6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.913 -7.094 8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.484 -5.673 7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.800 -6.223 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.588 -9.176 7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.379 -8.517 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.765 -9.443 5.336 1.00 0.00 H new ATOM 1565 N ALA A 103 5.498 -7.064 2.684 1.00 0.00 N ATOM 1566 CA ALA A 103 5.990 -7.737 1.468 1.00 0.00 C ATOM 1567 C ALA A 103 7.307 -8.456 1.768 1.00 0.00 C ATOM 1568 O ALA A 103 8.270 -7.827 2.203 1.00 0.00 O ATOM 1569 CB ALA A 103 6.173 -6.724 0.334 1.00 0.00 C ATOM 0 H ALA A 103 5.986 -6.196 2.907 1.00 0.00 H new ATOM 0 HA ALA A 103 5.254 -8.475 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.537 -7.237 -0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.218 -6.248 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.895 -5.966 0.637 1.00 0.00 H new ATOM 1575 N ARG A 104 7.247 -9.786 1.689 1.00 0.00 N ATOM 1576 CA ARG A 104 8.397 -10.700 1.888 1.00 0.00 C ATOM 1577 C ARG A 104 9.537 -10.454 0.884 1.00 0.00 C ATOM 1578 O ARG A 104 10.677 -10.874 1.069 1.00 0.00 O ATOM 1579 CB ARG A 104 7.890 -12.144 1.822 1.00 0.00 C ATOM 1580 CG ARG A 104 8.929 -13.158 2.308 1.00 0.00 C ATOM 1581 CD ARG A 104 9.444 -14.025 1.151 1.00 0.00 C ATOM 1582 NE ARG A 104 9.804 -15.361 1.659 1.00 0.00 N ATOM 1583 CZ ARG A 104 8.960 -16.255 2.197 1.00 0.00 C ATOM 1584 NH1 ARG A 104 7.656 -16.015 2.291 1.00 0.00 N ATOM 1585 NH2 ARG A 104 9.405 -17.413 2.646 1.00 0.00 N ATOM 0 H ARG A 104 6.380 -10.280 1.480 1.00 0.00 H new ATOM 0 HA ARG A 104 8.830 -10.503 2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.988 -12.236 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 104 7.611 -12.380 0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 104 9.764 -12.633 2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.488 -13.795 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 104 8.679 -14.112 0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 104 10.312 -13.554 0.688 1.00 0.00 H new ATOM 0 HE ARG A 104 10.786 -15.631 1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.274 -15.133 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.038 -16.713 2.705 1.00 0.00 H new ATOM 0 HH21 ARG A 104 10.399 -17.635 2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.755 -18.086 3.053 1.00 0.00 H new ATOM 1684 N ASP A 111 13.220 -10.342 5.723 1.00 0.00 N ATOM 1685 CA ASP A 111 13.179 -8.876 5.582 1.00 0.00 C ATOM 1686 C ASP A 111 11.968 -8.444 4.748 1.00 0.00 C ATOM 1687 O ASP A 111 11.960 -8.557 3.527 1.00 0.00 O ATOM 1688 CB ASP A 111 14.495 -8.348 4.989 1.00 0.00 C ATOM 1689 CG ASP A 111 14.570 -6.816 4.954 1.00 0.00 C ATOM 1690 OD1 ASP A 111 14.020 -6.182 5.886 1.00 0.00 O ATOM 1691 OD2 ASP A 111 15.099 -6.299 3.946 1.00 0.00 O ATOM 0 HA ASP A 111 13.067 -8.437 6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.330 -8.733 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.611 -8.734 3.976 1.00 0.00 H new ATOM 1696 N ASN A 112 10.960 -7.998 5.480 1.00 0.00 N ATOM 1697 CA ASN A 112 9.731 -7.436 4.890 1.00 0.00 C ATOM 1698 C ASN A 112 9.732 -5.913 4.938 1.00 0.00 C ATOM 1699 O ASN A 112 10.252 -5.304 5.878 1.00 0.00 O ATOM 1700 CB ASN A 112 8.490 -7.969 5.613 1.00 0.00 C ATOM 1701 CG ASN A 112 8.158 -9.389 5.159 1.00 0.00 C ATOM 1702 OD1 ASN A 112 7.003 -9.558 4.562 1.00 0.00 O flip ATOM 1703 ND2 ASN A 112 8.931 -10.325 5.303 1.00 0.00 N flip ATOM 0 H ASN A 112 10.959 -8.010 6.500 1.00 0.00 H new ATOM 0 HA ASN A 112 9.703 -7.748 3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 112 8.660 -7.958 6.690 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.641 -7.313 5.417 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.826 -10.180 5.769 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.681 -11.251 4.957 1.00 0.00 H new ATOM 1710 N VAL A 113 9.120 -5.344 3.908 1.00 0.00 N ATOM 1711 CA VAL A 113 8.951 -3.890 3.811 1.00 0.00 C ATOM 1712 C VAL A 113 7.469 -3.504 3.936 1.00 0.00 C ATOM 1713 O VAL A 113 6.623 -3.995 3.185 1.00 0.00 O ATOM 1714 CB VAL A 113 9.674 -3.390 2.548 1.00 0.00 C ATOM 1715 CG1 VAL A 113 8.881 -3.366 1.232 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.318 -2.052 2.873 1.00 0.00 C ATOM 0 H VAL A 113 8.729 -5.864 3.123 1.00 0.00 H new ATOM 0 HA VAL A 113 9.422 -3.374 4.648 1.00 0.00 H new ATOM 0 HB VAL A 113 10.421 -4.148 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.518 -2.992 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.548 -4.375 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.014 -2.714 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.838 -1.675 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.548 -1.341 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.030 -2.179 3.688 1.00 0.00 H new ATOM 1726 N CYS A 114 7.162 -2.856 5.052 1.00 0.00 N ATOM 1727 CA CYS A 114 5.785 -2.394 5.278 1.00 0.00 C ATOM 1728 C CYS A 114 5.587 -1.002 4.671 1.00 0.00 C ATOM 1729 O CYS A 114 6.129 -0.011 5.152 1.00 0.00 O ATOM 1730 CB CYS A 114 5.423 -2.466 6.757 1.00 0.00 C ATOM 1731 SG CYS A 114 3.630 -2.751 6.950 1.00 0.00 S ATOM 0 H CYS A 114 7.821 -2.639 5.800 1.00 0.00 H new ATOM 0 HA CYS A 114 5.091 -3.061 4.766 1.00 0.00 H new ATOM 0 HB2 CYS A 114 5.981 -3.270 7.237 1.00 0.00 H new ATOM 0 HB3 CYS A 114 5.708 -1.539 7.255 1.00 0.00 H new ATOM 0 HG CYS A 114 2.993 -1.628 6.798 1.00 0.00 H new ATOM 1737 N HIS A 115 5.121 -1.048 3.428 1.00 0.00 N ATOM 1738 CA HIS A 115 4.851 0.171 2.641 1.00 0.00 C ATOM 1739 C HIS A 115 3.549 0.821 3.117 1.00 0.00 C ATOM 1740 O HIS A 115 2.589 0.126 3.448 1.00 0.00 O ATOM 1741 CB HIS A 115 4.720 -0.191 1.169 1.00 0.00 C ATOM 1742 CG HIS A 115 5.493 0.777 0.240 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.367 0.378 -0.647 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.388 2.095 0.193 1.00 0.00 C ATOM 1745 CE1 HIS A 115 6.844 1.473 -1.272 1.00 0.00 C ATOM 1746 NE2 HIS A 115 6.242 2.522 -0.742 1.00 0.00 N ATOM 0 H HIS A 115 4.918 -1.916 2.933 1.00 0.00 H new ATOM 0 HA HIS A 115 5.676 0.871 2.776 1.00 0.00 H new ATOM 0 HB2 HIS A 115 5.088 -1.206 1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.666 -0.189 0.892 1.00 0.00 H new ATOM 0 HD2 HIS A 115 4.736 2.709 0.796 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.582 1.489 -2.060 1.00 0.00 H new ATOM 0 HE2 HIS A 115 6.402 3.495 -1.003 1.00 0.00 H new ATOM 1754 N LEU A 116 3.576 2.145 3.151 1.00 0.00 N ATOM 1755 CA LEU A 116 2.408 2.922 3.599 1.00 0.00 C ATOM 1756 C LEU A 116 1.814 3.732 2.454 1.00 0.00 C ATOM 1757 O LEU A 116 2.519 4.209 1.563 1.00 0.00 O ATOM 1758 CB LEU A 116 2.735 3.820 4.804 1.00 0.00 C ATOM 1759 CG LEU A 116 3.290 3.095 6.045 1.00 0.00 C ATOM 1760 CD1 LEU A 116 2.533 1.808 6.386 1.00 0.00 C ATOM 1761 CD2 LEU A 116 4.783 2.810 5.898 1.00 0.00 C ATOM 0 H LEU A 116 4.381 2.708 2.878 1.00 0.00 H new ATOM 0 HA LEU A 116 1.657 2.205 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.461 4.570 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.830 4.354 5.092 1.00 0.00 H new ATOM 0 HG LEU A 116 3.139 3.779 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.976 1.349 7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.487 2.043 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.596 1.115 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.145 2.298 6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.949 2.179 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.322 3.749 5.775 1.00 0.00 H new ATOM 1773 N PHE A 117 0.492 3.662 2.428 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.325 4.306 1.391 1.00 0.00 C ATOM 1775 C PHE A 117 -1.609 4.901 1.967 1.00 0.00 C ATOM 1776 O PHE A 117 -2.249 4.289 2.815 1.00 0.00 O ATOM 1777 CB PHE A 117 -0.684 3.266 0.332 1.00 0.00 C ATOM 1778 CG PHE A 117 0.520 2.820 -0.493 1.00 0.00 C ATOM 1779 CD1 PHE A 117 1.013 3.687 -1.459 1.00 0.00 C ATOM 1780 CD2 PHE A 117 1.118 1.586 -0.296 1.00 0.00 C ATOM 1781 CE1 PHE A 117 2.092 3.329 -2.238 1.00 0.00 C ATOM 1782 CE2 PHE A 117 2.216 1.233 -1.074 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.706 2.099 -2.039 1.00 0.00 C ATOM 0 H PHE A 117 -0.054 3.156 3.125 1.00 0.00 H new ATOM 0 HA PHE A 117 0.254 5.121 0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.127 2.397 0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.442 3.679 -0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.547 4.651 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.737 0.907 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.458 4.002 -2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.691 0.275 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.562 1.818 -2.634 1.00 0.00 H new ATOM 1793 N ALA A 118 -2.005 6.041 1.422 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.269 6.708 1.800 1.00 0.00 C ATOM 1795 C ALA A 118 -4.277 6.657 0.644 1.00 0.00 C ATOM 1796 O ALA A 118 -3.897 6.517 -0.515 1.00 0.00 O ATOM 1797 CB ALA A 118 -2.986 8.158 2.198 1.00 0.00 C ATOM 0 H ALA A 118 -1.472 6.538 0.708 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.704 6.182 2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.919 8.648 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.300 8.176 3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.537 8.685 1.356 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.562 6.594 0.972 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.615 6.621 -0.069 1.00 0.00 C ATOM 1805 C GLU A 119 -6.625 7.964 -0.826 1.00 0.00 C ATOM 1806 O GLU A 119 -6.638 9.028 -0.213 1.00 0.00 O ATOM 1807 CB GLU A 119 -7.999 6.308 0.516 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.544 7.388 1.462 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.803 6.984 2.229 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -9.925 5.771 2.529 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -10.577 7.901 2.566 1.00 0.00 O ATOM 0 H GLU A 119 -5.909 6.525 1.929 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.376 5.836 -0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.704 6.170 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.947 5.362 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.766 7.651 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.760 8.285 0.882 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.506 7.876 -2.144 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.643 9.068 -3.010 1.00 0.00 C ATOM 1820 C LEU A 120 -7.609 8.841 -4.178 1.00 0.00 C ATOM 1821 O LEU A 120 -7.467 9.347 -5.291 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.262 9.548 -3.481 1.00 0.00 C ATOM 1823 CG LEU A 120 -5.073 11.076 -3.421 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -5.949 11.862 -4.399 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -5.293 11.593 -2.000 1.00 0.00 C ATOM 0 H LEU A 120 -6.317 7.008 -2.645 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.090 9.862 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.496 9.074 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -5.103 9.213 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.042 11.248 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -5.751 12.928 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.721 11.554 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.000 11.664 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.155 12.674 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.306 11.351 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.576 11.123 -1.327 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.620 8.035 -3.892 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.658 7.753 -4.877 1.00 0.00 C ATOM 1839 C ASP A 121 -11.016 8.301 -4.421 1.00 0.00 C ATOM 1840 O ASP A 121 -11.478 7.908 -3.349 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.734 6.249 -5.071 1.00 0.00 C ATOM 1842 CG ASP A 121 -9.303 5.768 -6.452 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -9.477 6.532 -7.423 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -8.895 4.595 -6.516 1.00 0.00 O ATOM 0 H ASP A 121 -8.745 7.567 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.409 8.243 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -9.108 5.766 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.758 5.923 -4.890 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.707 9.006 -5.326 1.00 0.00 N ATOM 1850 CA PRO A 122 -13.069 9.519 -5.067 1.00 0.00 C ATOM 1851 C PRO A 122 -14.146 8.420 -5.015 1.00 0.00 C ATOM 1852 O PRO A 122 -15.312 8.702 -4.761 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.305 10.526 -6.195 1.00 0.00 C ATOM 1854 CG PRO A 122 -12.499 9.960 -7.363 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.260 9.371 -6.688 1.00 0.00 C ATOM 0 HA PRO A 122 -13.145 9.972 -4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.363 10.609 -6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -12.963 11.523 -5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.060 9.200 -7.907 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.234 10.736 -8.082 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -10.891 8.500 -7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.446 10.095 -6.656 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.721 7.163 -5.186 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.594 5.974 -5.165 1.00 0.00 C ATOM 1865 C ASP A 123 -13.803 4.662 -4.986 1.00 0.00 C ATOM 1866 O ASP A 123 -14.162 3.614 -5.525 1.00 0.00 O ATOM 1867 CB ASP A 123 -15.430 5.962 -6.455 1.00 0.00 C ATOM 1868 CG ASP A 123 -16.791 5.272 -6.296 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -17.143 4.907 -5.151 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -17.471 5.152 -7.338 1.00 0.00 O ATOM 0 H ASP A 123 -12.740 6.934 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.253 6.036 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -15.588 6.989 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -14.866 5.458 -7.240 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.735 4.740 -4.191 1.00 0.00 N ATOM 1876 CA GLN A 124 -11.883 3.586 -3.829 1.00 0.00 C ATOM 1877 C GLN A 124 -11.032 3.894 -2.577 1.00 0.00 C ATOM 1878 O GLN A 124 -9.884 4.330 -2.674 1.00 0.00 O ATOM 1879 CB GLN A 124 -10.995 3.133 -4.996 1.00 0.00 C ATOM 1880 CG GLN A 124 -11.511 1.916 -5.756 1.00 0.00 C ATOM 1881 CD GLN A 124 -11.384 0.696 -4.853 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -12.435 0.401 -4.136 1.00 0.00 O flip ATOM 1883 NE2 GLN A 124 -10.331 0.109 -4.663 1.00 0.00 N flip ATOM 0 H GLN A 124 -12.426 5.616 -3.770 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.552 2.759 -3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.887 3.962 -5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.000 2.909 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.550 2.064 -6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.939 1.771 -6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.510 0.340 -5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.272 -0.612 -3.944 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.671 3.836 -1.404 1.00 0.00 N ATOM 1893 CA PRO A 125 -10.975 4.038 -0.123 1.00 0.00 C ATOM 1894 C PRO A 125 -10.029 2.872 0.167 1.00 0.00 C ATOM 1895 O PRO A 125 -10.176 1.772 -0.365 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.087 4.182 0.918 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.248 3.383 0.331 1.00 0.00 C ATOM 1898 CD PRO A 125 -13.114 3.615 -1.174 1.00 0.00 C ATOM 0 HA PRO A 125 -10.337 4.922 -0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -11.780 3.787 1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.358 5.227 1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.175 2.325 0.582 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.209 3.735 0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.476 2.756 -1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.700 4.476 -1.494 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.166 3.111 1.144 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.156 2.139 1.584 1.00 0.00 C ATOM 1908 C ALA A 126 -8.790 0.822 2.066 1.00 0.00 C ATOM 1909 O ALA A 126 -8.421 -0.236 1.574 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.352 2.819 2.683 1.00 0.00 C ATOM 0 H ALA A 126 -9.141 3.989 1.662 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.511 1.854 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.584 2.137 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.880 3.718 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.015 3.090 3.504 1.00 0.00 H new ATOM 1916 N ALA A 127 -9.882 0.923 2.825 1.00 0.00 N ATOM 1917 CA ALA A 127 -10.723 -0.230 3.214 1.00 0.00 C ATOM 1918 C ALA A 127 -11.231 -1.050 2.017 1.00 0.00 C ATOM 1919 O ALA A 127 -10.888 -2.219 1.919 1.00 0.00 O ATOM 1920 CB ALA A 127 -11.900 0.241 4.069 1.00 0.00 C ATOM 0 H ALA A 127 -10.218 1.812 3.195 1.00 0.00 H new ATOM 0 HA ALA A 127 -10.084 -0.896 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.512 -0.616 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.524 0.728 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.504 0.947 3.499 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.812 -0.396 1.013 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.231 -1.068 -0.239 1.00 0.00 C ATOM 1928 C ALA A 128 -11.067 -1.697 -1.031 1.00 0.00 C ATOM 1929 O ALA A 128 -11.252 -2.725 -1.677 1.00 0.00 O ATOM 1930 CB ALA A 128 -13.036 -0.093 -1.093 1.00 0.00 C ATOM 0 H ALA A 128 -12.009 0.605 1.032 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.860 -1.912 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.345 -0.586 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.918 0.231 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.420 0.774 -1.334 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.862 -1.164 -0.824 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.583 -1.704 -1.334 1.00 0.00 C ATOM 1938 C ILE A 129 -8.108 -2.913 -0.507 1.00 0.00 C ATOM 1939 O ILE A 129 -7.777 -3.944 -1.076 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.566 -0.539 -1.454 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -7.731 0.181 -2.801 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.091 -0.868 -1.154 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.396 -0.689 -4.025 1.00 0.00 C ATOM 0 H ILE A 129 -9.736 -0.312 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.707 -2.116 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.829 0.132 -0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -8.759 0.532 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.091 1.063 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.486 0.031 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -6.000 -1.233 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.742 -1.635 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.538 -0.106 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.359 -1.019 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -8.053 -1.558 -4.044 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.197 -2.805 0.816 1.00 0.00 N ATOM 1956 CA VAL A 130 -7.881 -3.862 1.795 1.00 0.00 C ATOM 1957 C VAL A 130 -8.886 -5.030 1.741 1.00 0.00 C ATOM 1958 O VAL A 130 -8.516 -6.182 1.934 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.705 -3.209 3.180 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -7.828 -4.159 4.379 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -6.314 -2.572 3.222 1.00 0.00 C ATOM 0 H VAL A 130 -8.505 -1.942 1.264 1.00 0.00 H new ATOM 0 HA VAL A 130 -6.936 -4.343 1.544 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.521 -2.494 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.688 -3.598 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.817 -4.618 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.067 -4.936 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.159 -2.100 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.557 -3.341 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.234 -1.821 2.436 1.00 0.00 H new ATOM 1971 N ASN A 131 -10.121 -4.707 1.383 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.196 -5.685 1.162 1.00 0.00 C ATOM 1973 C ASN A 131 -11.006 -6.408 -0.180 1.00 0.00 C ATOM 1974 O ASN A 131 -11.190 -7.610 -0.241 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.562 -4.998 1.246 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.694 -6.016 1.092 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -13.988 -6.817 1.969 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -14.283 -6.064 -0.078 1.00 0.00 N ATOM 0 H ASN A 131 -10.417 -3.742 1.233 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.152 -6.440 1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.657 -4.484 2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.641 -4.239 0.467 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.993 -6.773 -0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.032 -5.392 -0.803 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.455 -5.707 -1.164 1.00 0.00 N ATOM 1986 CA PHE A 132 -10.195 -6.263 -2.505 1.00 0.00 C ATOM 1987 C PHE A 132 -8.880 -7.060 -2.565 1.00 0.00 C ATOM 1988 O PHE A 132 -8.866 -8.210 -2.998 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.223 -5.095 -3.498 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.549 -5.384 -4.839 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -9.799 -6.552 -5.550 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -8.587 -4.485 -5.281 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -9.081 -6.820 -6.705 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -7.879 -4.755 -6.438 1.00 0.00 C ATOM 1995 CZ PHE A 132 -8.115 -5.930 -7.145 1.00 0.00 C ATOM 0 H PHE A 132 -10.172 -4.732 -1.063 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.966 -6.988 -2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.261 -4.815 -3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.737 -4.234 -3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.549 -7.248 -5.204 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.393 -3.580 -4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -9.275 -7.724 -7.263 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.141 -4.052 -6.794 1.00 0.00 H new ATOM 0 HZ PHE A 132 -7.545 -6.148 -8.036 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.825 -6.473 -2.007 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.480 -7.080 -1.962 1.00 0.00 C ATOM 2007 C VAL A 133 -6.486 -8.387 -1.138 1.00 0.00 C ATOM 2008 O VAL A 133 -5.765 -9.328 -1.460 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.472 -6.024 -1.471 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.501 -5.785 0.044 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -4.064 -6.313 -1.997 1.00 0.00 C ATOM 0 H VAL A 133 -7.871 -5.554 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.164 -7.385 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.797 -5.076 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.762 -5.028 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.493 -5.442 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.269 -6.715 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.376 -5.550 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.738 -7.292 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.074 -6.303 -3.087 1.00 0.00 H new ATOM 2021 N SER A 134 -7.369 -8.418 -0.139 1.00 0.00 N ATOM 2022 CA SER A 134 -7.602 -9.600 0.714 1.00 0.00 C ATOM 2023 C SER A 134 -8.649 -10.556 0.116 1.00 0.00 C ATOM 2024 O SER A 134 -8.441 -11.764 0.134 1.00 0.00 O ATOM 2025 CB SER A 134 -8.014 -9.148 2.116 1.00 0.00 C ATOM 2026 OG SER A 134 -7.773 -10.186 3.062 1.00 0.00 O ATOM 0 H SER A 134 -7.952 -7.619 0.109 1.00 0.00 H new ATOM 0 HA SER A 134 -6.669 -10.160 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.456 -8.255 2.396 1.00 0.00 H new ATOM 0 HB3 SER A 134 -9.070 -8.879 2.123 1.00 0.00 H new ATOM 0 HG SER A 134 -8.040 -9.883 3.955 1.00 0.00 H new ATOM 2032 N ARG A 135 -9.624 -10.019 -0.628 1.00 0.00 N ATOM 2033 CA ARG A 135 -10.628 -10.832 -1.356 1.00 0.00 C ATOM 2034 C ARG A 135 -10.012 -11.691 -2.468 1.00 0.00 C ATOM 2035 O ARG A 135 -10.420 -12.825 -2.711 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.733 -9.969 -1.982 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.988 -9.917 -1.108 1.00 0.00 C ATOM 2038 CD ARG A 135 -13.672 -11.283 -1.096 1.00 0.00 C ATOM 2039 NE ARG A 135 -14.802 -11.290 -0.157 1.00 0.00 N ATOM 2040 CZ ARG A 135 -15.580 -12.346 0.097 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -15.360 -13.518 -0.485 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -16.571 -12.250 0.966 1.00 0.00 N ATOM 0 H ARG A 135 -9.746 -9.013 -0.747 1.00 0.00 H new ATOM 0 HA ARG A 135 -11.054 -11.485 -0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.358 -8.957 -2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.991 -10.367 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.722 -9.625 -0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -13.675 -9.160 -1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -14.024 -11.528 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.953 -12.053 -0.814 1.00 0.00 H new ATOM 0 HE ARG A 135 -15.008 -10.423 0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.585 -13.625 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -15.966 -14.312 -0.278 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.745 -11.367 1.446 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.162 -13.059 1.157 1.00 0.00 H new ATOM 2056 N VAL A 136 -9.017 -11.118 -3.135 1.00 0.00 N ATOM 2057 CA VAL A 136 -8.242 -11.818 -4.179 1.00 0.00 C ATOM 2058 C VAL A 136 -7.305 -12.877 -3.570 1.00 0.00 C ATOM 2059 O VAL A 136 -7.060 -13.903 -4.207 1.00 0.00 O ATOM 2060 CB VAL A 136 -7.524 -10.796 -5.083 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -6.599 -11.428 -6.133 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -8.578 -9.999 -5.852 1.00 0.00 C ATOM 0 H VAL A 136 -8.717 -10.156 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.925 -12.376 -4.820 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.913 -10.184 -4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.133 -10.642 -6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.826 -12.012 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.181 -12.079 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.085 -9.271 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.175 -10.678 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.227 -9.479 -5.147 1.00 0.00 H new ATOM 2072 N MET A 137 -6.944 -12.690 -2.300 1.00 0.00 N ATOM 2073 CA MET A 137 -6.008 -13.559 -1.560 1.00 0.00 C ATOM 2074 C MET A 137 -6.702 -14.843 -1.051 1.00 0.00 C ATOM 2075 O MET A 137 -6.652 -15.198 0.127 1.00 0.00 O ATOM 2076 CB MET A 137 -5.418 -12.735 -0.409 1.00 0.00 C ATOM 2077 CG MET A 137 -4.040 -13.269 -0.018 1.00 0.00 C ATOM 2078 SD MET A 137 -3.678 -13.187 1.770 1.00 0.00 S ATOM 2079 CE MET A 137 -4.082 -14.865 2.205 1.00 0.00 C ATOM 0 H MET A 137 -7.298 -11.915 -1.739 1.00 0.00 H new ATOM 0 HA MET A 137 -5.210 -13.897 -2.221 1.00 0.00 H new ATOM 0 HB2 MET A 137 -5.338 -11.689 -0.706 1.00 0.00 H new ATOM 0 HB3 MET A 137 -6.086 -12.771 0.452 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.959 -14.306 -0.345 1.00 0.00 H new ATOM 0 HG3 MET A 137 -3.279 -12.704 -0.557 1.00 0.00 H new ATOM 0 HE1 MET A 137 -4.885 -14.867 2.943 1.00 0.00 H new ATOM 0 HE2 MET A 137 -4.406 -15.404 1.315 1.00 0.00 H new ATOM 0 HE3 MET A 137 -3.203 -15.354 2.625 1.00 0.00 H new