USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 764 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 71 ASN : amide:sc= 0 K(o=-0.16,f=-0.82) USER MOD Set 1.2: A 75 ASN : amide:sc= -0.162 X(o=-0.16,f=0.099) USER MOD Set 2.1: A 63 THR OG1 : rot -170:sc= 0.0625 USER MOD Set 2.2: A 64 SER OG : rot 180:sc= -0.283 USER MOD Set 3.1: A 18 GLN : amide:sc= 1.35 K(o=1.3,f=-0.072) USER MOD Set 3.2: A 88 MET CE :methyl -164:sc= -0.0705 (180deg=-0.396) USER MOD Set 4.1: A 4 THR OG1 : rot 44:sc= 0.0645 USER MOD Set 4.2: A 7 GLN : amide:sc= 0 X(o=0.064,f=0.062) USER MOD Single : A 3 MET CE :methyl 136:sc= -1.74! (180deg=-2.21!) USER MOD Single : A 5 SER OG : rot 180:sc= -1.25 USER MOD Single : A 11 THR OG1 : rot 68:sc= 1.05 USER MOD Single : A 13 GLN :FLIP amide:sc= -1.27 F(o=-2.5!,f=-1.3) USER MOD Single : A 14 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 20 ASN : amide:sc= 0.292 X(o=0.29,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -104:sc= -0.278 (180deg=-1.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 153:sc= 1.39 (180deg=0.741) USER MOD Single : A 29 SER OG : rot 95:sc= 1.2 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.2) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.06) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= -0.0202 (180deg=-0.132) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc=-0.00029 K(o=-0.00029,f=-0.75) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 162:sc= -0.932 (180deg=-1.39) USER MOD Single : A 81 ASN : amide:sc= -0.215 K(o=-0.22,f=-0.86) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 140:sc= -1.38 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.13) USER MOD Single : A 93 MET CE :methyl -149:sc= -1.01 (180deg=-4.09!) USER MOD Single : A 94 MET CE :methyl 158:sc= -0.295 (180deg=-0.928) USER MOD Single : A 98 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 3 13.288 7.165 -3.851 1.00 0.00 N ATOM 2 CA MET A 3 13.491 5.875 -4.519 1.00 0.00 C ATOM 3 C MET A 3 12.677 5.876 -5.799 1.00 0.00 C ATOM 4 O MET A 3 11.634 6.520 -5.841 1.00 0.00 O ATOM 5 CB MET A 3 13.060 4.720 -3.583 1.00 0.00 C ATOM 6 CG MET A 3 13.327 3.316 -4.127 1.00 0.00 C ATOM 7 SD MET A 3 12.973 2.003 -2.924 1.00 0.00 S ATOM 8 CE MET A 3 11.229 2.245 -2.639 1.00 0.00 C ATOM 0 HA MET A 3 14.544 5.727 -4.758 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.580 4.830 -2.631 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.994 4.817 -3.377 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.719 3.157 -5.018 1.00 0.00 H new ATOM 0 HG3 MET A 3 14.370 3.245 -4.436 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.723 1.280 -2.639 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.082 2.732 -1.675 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.815 2.872 -3.429 1.00 0.00 H new ATOM 18 N THR A 4 13.168 5.189 -6.845 1.00 0.00 N ATOM 19 CA THR A 4 12.495 5.127 -8.145 1.00 0.00 C ATOM 20 C THR A 4 11.028 4.773 -8.022 1.00 0.00 C ATOM 21 O THR A 4 10.680 3.702 -7.510 1.00 0.00 O ATOM 22 CB THR A 4 13.164 4.119 -9.066 1.00 0.00 C ATOM 23 OG1 THR A 4 13.448 2.906 -8.328 1.00 0.00 O ATOM 24 CG2 THR A 4 14.432 4.677 -9.677 1.00 0.00 C ATOM 0 H THR A 4 14.041 4.663 -6.809 1.00 0.00 H new ATOM 0 HA THR A 4 12.576 6.128 -8.570 1.00 0.00 H new ATOM 0 HB THR A 4 12.481 3.896 -9.885 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.671 2.666 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.882 3.928 -10.329 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.194 5.568 -10.258 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.134 4.937 -8.885 1.00 0.00 H new ATOM 32 N SER A 5 10.202 5.632 -8.540 1.00 0.00 N ATOM 33 CA SER A 5 8.773 5.525 -8.401 1.00 0.00 C ATOM 34 C SER A 5 8.126 4.311 -9.130 1.00 0.00 C ATOM 35 O SER A 5 7.371 3.590 -8.497 1.00 0.00 O ATOM 36 CB SER A 5 8.083 6.873 -8.680 1.00 0.00 C ATOM 37 OG SER A 5 8.595 7.494 -9.858 1.00 0.00 O ATOM 0 H SER A 5 10.503 6.442 -9.081 1.00 0.00 H new ATOM 0 HA SER A 5 8.592 5.286 -7.353 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.010 6.717 -8.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.224 7.537 -7.828 1.00 0.00 H new ATOM 0 HG SER A 5 8.134 8.346 -10.006 1.00 0.00 H new ATOM 43 N PRO A 6 8.432 4.029 -10.445 1.00 0.00 N ATOM 44 CA PRO A 6 7.860 2.862 -11.156 1.00 0.00 C ATOM 45 C PRO A 6 8.123 1.547 -10.425 1.00 0.00 C ATOM 46 O PRO A 6 7.225 0.738 -10.237 1.00 0.00 O ATOM 47 CB PRO A 6 8.612 2.870 -12.480 1.00 0.00 C ATOM 48 CG PRO A 6 8.912 4.298 -12.707 1.00 0.00 C ATOM 49 CD PRO A 6 9.284 4.830 -11.358 1.00 0.00 C ATOM 0 HA PRO A 6 6.776 2.932 -11.248 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.523 2.274 -12.426 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.007 2.455 -13.286 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.727 4.422 -13.420 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.049 4.824 -13.115 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.344 4.693 -11.147 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.078 5.897 -11.272 1.00 0.00 H new ATOM 57 N GLN A 7 9.352 1.374 -9.976 1.00 0.00 N ATOM 58 CA GLN A 7 9.767 0.163 -9.276 1.00 0.00 C ATOM 59 C GLN A 7 9.193 0.114 -7.856 1.00 0.00 C ATOM 60 O GLN A 7 8.930 -0.959 -7.302 1.00 0.00 O ATOM 61 CB GLN A 7 11.282 0.051 -9.298 1.00 0.00 C ATOM 62 CG GLN A 7 11.814 -0.167 -10.704 1.00 0.00 C ATOM 63 CD GLN A 7 13.311 -0.094 -10.798 1.00 0.00 C ATOM 64 OE1 GLN A 7 14.007 -1.086 -10.629 1.00 0.00 O ATOM 65 NE2 GLN A 7 13.813 1.060 -11.142 1.00 0.00 N ATOM 0 H GLN A 7 10.094 2.066 -10.084 1.00 0.00 H new ATOM 0 HA GLN A 7 9.361 -0.706 -9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.719 0.958 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.594 -0.776 -8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 7 11.483 -1.142 -11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.380 0.580 -11.368 1.00 0.00 H new ATOM 0 HE21 GLN A 7 13.200 1.864 -11.274 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.819 1.158 -11.279 1.00 0.00 H new ATOM 74 N LEU A 8 8.961 1.277 -7.298 1.00 0.00 N ATOM 75 CA LEU A 8 8.324 1.417 -6.003 1.00 0.00 C ATOM 76 C LEU A 8 6.862 1.003 -6.126 1.00 0.00 C ATOM 77 O LEU A 8 6.354 0.192 -5.335 1.00 0.00 O ATOM 78 CB LEU A 8 8.497 2.886 -5.523 1.00 0.00 C ATOM 79 CG LEU A 8 7.740 3.398 -4.282 1.00 0.00 C ATOM 80 CD1 LEU A 8 6.312 3.803 -4.606 1.00 0.00 C ATOM 81 CD2 LEU A 8 7.756 2.385 -3.164 1.00 0.00 C ATOM 0 H LEU A 8 9.211 2.166 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 8 8.783 0.769 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.560 3.041 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.221 3.531 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 8 8.270 4.289 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.820 4.157 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.320 4.600 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.771 2.943 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.213 2.781 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.280 1.464 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.787 2.177 -2.876 1.00 0.00 H new ATOM 93 N GLU A 9 6.213 1.541 -7.137 1.00 0.00 N ATOM 94 CA GLU A 9 4.836 1.250 -7.431 1.00 0.00 C ATOM 95 C GLU A 9 4.715 -0.227 -7.780 1.00 0.00 C ATOM 96 O GLU A 9 3.735 -0.881 -7.420 1.00 0.00 O ATOM 97 CB GLU A 9 4.373 2.121 -8.586 1.00 0.00 C ATOM 98 CG GLU A 9 2.884 2.083 -8.849 1.00 0.00 C ATOM 99 CD GLU A 9 2.530 2.769 -10.133 1.00 0.00 C ATOM 100 OE1 GLU A 9 2.504 4.021 -10.188 1.00 0.00 O ATOM 101 OE2 GLU A 9 2.305 2.067 -11.128 1.00 0.00 O ATOM 0 H GLU A 9 6.639 2.203 -7.785 1.00 0.00 H new ATOM 0 HA GLU A 9 4.206 1.464 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.667 3.152 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.896 1.810 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.547 1.047 -8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.356 2.561 -8.024 1.00 0.00 H new ATOM 108 N TRP A 10 5.738 -0.749 -8.471 1.00 0.00 N ATOM 109 CA TRP A 10 5.836 -2.162 -8.760 1.00 0.00 C ATOM 110 C TRP A 10 5.832 -2.963 -7.473 1.00 0.00 C ATOM 111 O TRP A 10 5.097 -3.923 -7.352 1.00 0.00 O ATOM 112 CB TRP A 10 7.099 -2.503 -9.578 1.00 0.00 C ATOM 113 CG TRP A 10 7.324 -3.989 -9.725 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.718 -4.829 -10.603 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.208 -4.807 -8.935 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.168 -6.114 -10.416 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.081 -6.124 -9.399 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.089 -4.545 -7.885 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.799 -7.179 -8.849 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.798 -5.590 -7.339 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.651 -6.891 -7.823 1.00 0.00 C ATOM 0 H TRP A 10 6.512 -0.195 -8.838 1.00 0.00 H new ATOM 0 HA TRP A 10 4.967 -2.427 -9.362 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.016 -2.054 -10.568 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.969 -2.055 -9.097 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.988 -4.531 -11.341 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.869 -6.930 -10.951 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.212 -3.540 -7.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.687 -8.187 -9.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.479 -5.401 -6.523 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.225 -7.688 -7.375 1.00 0.00 H new ATOM 132 N THR A 11 6.634 -2.558 -6.516 1.00 0.00 N ATOM 133 CA THR A 11 6.726 -3.284 -5.270 1.00 0.00 C ATOM 134 C THR A 11 5.371 -3.321 -4.569 1.00 0.00 C ATOM 135 O THR A 11 4.908 -4.385 -4.138 1.00 0.00 O ATOM 136 CB THR A 11 7.790 -2.689 -4.341 1.00 0.00 C ATOM 137 OG1 THR A 11 9.045 -2.580 -5.040 1.00 0.00 O ATOM 138 CG2 THR A 11 7.980 -3.595 -3.143 1.00 0.00 C ATOM 0 H THR A 11 7.230 -1.733 -6.575 1.00 0.00 H new ATOM 0 HA THR A 11 7.029 -4.303 -5.509 1.00 0.00 H new ATOM 0 HB THR A 11 7.462 -1.702 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.969 -1.903 -5.745 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.737 -3.171 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.038 -3.687 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.303 -4.580 -3.479 1.00 0.00 H new ATOM 146 N LEU A 12 4.727 -2.179 -4.525 1.00 0.00 N ATOM 147 CA LEU A 12 3.420 -2.055 -3.930 1.00 0.00 C ATOM 148 C LEU A 12 2.405 -2.923 -4.655 1.00 0.00 C ATOM 149 O LEU A 12 1.696 -3.709 -4.033 1.00 0.00 O ATOM 150 CB LEU A 12 2.962 -0.612 -3.974 1.00 0.00 C ATOM 151 CG LEU A 12 3.671 0.368 -3.054 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.116 1.765 -3.267 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.494 -0.047 -1.606 1.00 0.00 C ATOM 0 H LEU A 12 5.097 -1.307 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 12 3.492 -2.388 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.070 -0.254 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.898 -0.588 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 12 4.735 0.366 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.627 2.464 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.273 2.065 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.049 1.770 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.007 0.664 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.432 -0.062 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.915 -1.041 -1.458 1.00 0.00 H new ATOM 165 N GLN A 13 2.373 -2.811 -5.978 1.00 0.00 N ATOM 166 CA GLN A 13 1.407 -3.539 -6.768 1.00 0.00 C ATOM 167 C GLN A 13 1.635 -5.035 -6.640 1.00 0.00 C ATOM 168 O GLN A 13 0.716 -5.760 -6.514 1.00 0.00 O ATOM 169 CB GLN A 13 1.413 -3.084 -8.243 1.00 0.00 C ATOM 170 CG GLN A 13 2.572 -3.599 -9.078 1.00 0.00 C ATOM 171 CD GLN A 13 2.735 -2.889 -10.400 1.00 0.00 C ATOM 172 OE1 GLN A 13 2.494 -1.600 -10.419 1.00 0.00 O flip ATOM 173 NE2 GLN A 13 3.148 -3.486 -11.383 1.00 0.00 N flip ATOM 0 H GLN A 13 3.007 -2.222 -6.519 1.00 0.00 H new ATOM 0 HA GLN A 13 0.415 -3.314 -6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.481 -3.405 -8.708 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.424 -1.994 -8.270 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.494 -3.496 -8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.429 -4.664 -9.263 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.325 -4.489 -11.333 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.316 -2.981 -12.253 1.00 0.00 H new ATOM 182 N THR A 14 2.885 -5.455 -6.577 1.00 0.00 N ATOM 183 CA THR A 14 3.226 -6.862 -6.457 1.00 0.00 C ATOM 184 C THR A 14 2.693 -7.451 -5.141 1.00 0.00 C ATOM 185 O THR A 14 2.268 -8.602 -5.085 1.00 0.00 O ATOM 186 CB THR A 14 4.750 -7.041 -6.593 1.00 0.00 C ATOM 187 OG1 THR A 14 5.142 -6.488 -7.854 1.00 0.00 O ATOM 188 CG2 THR A 14 5.167 -8.500 -6.559 1.00 0.00 C ATOM 0 H THR A 14 3.692 -4.832 -6.607 1.00 0.00 H new ATOM 0 HA THR A 14 2.746 -7.415 -7.264 1.00 0.00 H new ATOM 0 HB THR A 14 5.231 -6.540 -5.753 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.408 -5.553 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.250 -8.571 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.860 -8.944 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.691 -9.034 -7.382 1.00 0.00 H new ATOM 196 N LEU A 15 2.676 -6.645 -4.106 1.00 0.00 N ATOM 197 CA LEU A 15 2.127 -7.057 -2.831 1.00 0.00 C ATOM 198 C LEU A 15 0.609 -7.092 -2.927 1.00 0.00 C ATOM 199 O LEU A 15 -0.031 -8.080 -2.582 1.00 0.00 O ATOM 200 CB LEU A 15 2.566 -6.081 -1.745 1.00 0.00 C ATOM 201 CG LEU A 15 4.071 -5.991 -1.513 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.395 -4.818 -0.618 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.583 -7.274 -0.882 1.00 0.00 C ATOM 0 H LEU A 15 3.039 -5.692 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 15 2.492 -8.052 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.195 -5.088 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.088 -6.368 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 15 4.561 -5.848 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.472 -4.767 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.052 -3.896 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.894 -4.944 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.658 -7.197 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.084 -7.434 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.374 -8.114 -1.545 1.00 0.00 H new ATOM 215 N LEU A 16 0.052 -6.039 -3.468 1.00 0.00 N ATOM 216 CA LEU A 16 -1.386 -5.889 -3.589 1.00 0.00 C ATOM 217 C LEU A 16 -1.994 -6.780 -4.700 1.00 0.00 C ATOM 218 O LEU A 16 -3.190 -6.942 -4.783 1.00 0.00 O ATOM 219 CB LEU A 16 -1.779 -4.404 -3.744 1.00 0.00 C ATOM 220 CG LEU A 16 -1.796 -3.526 -2.454 1.00 0.00 C ATOM 221 CD1 LEU A 16 -0.489 -3.562 -1.692 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.130 -2.101 -2.800 1.00 0.00 C ATOM 0 H LEU A 16 0.583 -5.252 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.822 -6.248 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.090 -3.946 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.772 -4.364 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.562 -3.950 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.567 -2.931 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.272 -4.587 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.314 -3.194 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.139 -1.499 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.381 -1.709 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.112 -2.062 -3.271 1.00 0.00 H new ATOM 234 N GLU A 17 -1.164 -7.328 -5.561 1.00 0.00 N ATOM 235 CA GLU A 17 -1.619 -8.305 -6.542 1.00 0.00 C ATOM 236 C GLU A 17 -1.662 -9.681 -5.903 1.00 0.00 C ATOM 237 O GLU A 17 -2.345 -10.588 -6.380 1.00 0.00 O ATOM 238 CB GLU A 17 -0.742 -8.346 -7.785 1.00 0.00 C ATOM 239 CG GLU A 17 -0.833 -7.133 -8.703 1.00 0.00 C ATOM 240 CD GLU A 17 -0.018 -7.355 -9.947 1.00 0.00 C ATOM 241 OE1 GLU A 17 1.196 -7.091 -9.934 1.00 0.00 O ATOM 242 OE2 GLU A 17 -0.569 -7.859 -10.959 1.00 0.00 O ATOM 0 H GLU A 17 -0.167 -7.117 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.615 -8.000 -6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.295 -8.463 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.003 -9.234 -8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.873 -6.949 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.476 -6.246 -8.180 1.00 0.00 H new ATOM 249 N GLN A 18 -0.937 -9.826 -4.818 1.00 0.00 N ATOM 250 CA GLN A 18 -0.956 -11.048 -4.055 1.00 0.00 C ATOM 251 C GLN A 18 -2.135 -11.029 -3.099 1.00 0.00 C ATOM 252 O GLN A 18 -2.830 -12.038 -2.922 1.00 0.00 O ATOM 253 CB GLN A 18 0.355 -11.237 -3.289 1.00 0.00 C ATOM 254 CG GLN A 18 1.539 -11.619 -4.153 1.00 0.00 C ATOM 255 CD GLN A 18 2.849 -11.590 -3.390 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.252 -12.571 -2.770 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.539 -10.483 -3.466 1.00 0.00 N ATOM 0 H GLN A 18 -0.322 -9.104 -4.443 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.062 -11.889 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.590 -10.312 -2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.211 -12.008 -2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.381 -12.618 -4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.601 -10.937 -5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.172 -9.688 -3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.444 -10.413 -3.001 1.00 0.00 H new ATOM 266 N LEU A 19 -2.378 -9.873 -2.513 1.00 0.00 N ATOM 267 CA LEU A 19 -3.457 -9.714 -1.573 1.00 0.00 C ATOM 268 C LEU A 19 -4.544 -8.831 -2.204 1.00 0.00 C ATOM 269 O LEU A 19 -4.315 -7.680 -2.489 1.00 0.00 O ATOM 270 CB LEU A 19 -2.915 -9.081 -0.262 1.00 0.00 C ATOM 271 CG LEU A 19 -2.701 -7.552 -0.247 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.852 -6.832 0.428 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.369 -7.134 0.303 1.00 0.00 C ATOM 0 H LEU A 19 -1.834 -9.026 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.891 -10.683 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.605 -9.333 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.963 -9.557 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.688 -7.243 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.665 -5.758 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.778 -7.044 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.942 -7.176 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.291 -6.047 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.273 -7.485 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.573 -7.566 -0.303 1.00 0.00 H new ATOM 285 N ASN A 20 -5.697 -9.385 -2.490 1.00 0.00 N ATOM 286 CA ASN A 20 -6.791 -8.568 -3.065 1.00 0.00 C ATOM 287 C ASN A 20 -8.131 -9.256 -3.107 1.00 0.00 C ATOM 288 O ASN A 20 -9.141 -8.577 -3.119 1.00 0.00 O ATOM 289 CB ASN A 20 -6.452 -7.977 -4.452 1.00 0.00 C ATOM 290 CG ASN A 20 -6.024 -9.018 -5.436 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.830 -9.566 -6.185 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.760 -9.317 -5.411 1.00 0.00 N ATOM 0 H ASN A 20 -5.920 -10.370 -2.347 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.881 -7.744 -2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.324 -7.452 -4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.658 -7.238 -4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.394 -10.038 -6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.134 -8.831 -4.769 1.00 0.00 H new ATOM 299 N GLU A 21 -8.136 -10.593 -3.102 1.00 0.00 N ATOM 300 CA GLU A 21 -9.375 -11.394 -3.196 1.00 0.00 C ATOM 301 C GLU A 21 -10.435 -10.925 -2.167 1.00 0.00 C ATOM 302 O GLU A 21 -11.461 -10.355 -2.536 1.00 0.00 O ATOM 303 CB GLU A 21 -9.023 -12.863 -3.017 1.00 0.00 C ATOM 304 CG GLU A 21 -10.149 -13.839 -3.257 1.00 0.00 C ATOM 305 CD GLU A 21 -9.672 -15.252 -3.111 1.00 0.00 C ATOM 306 OE1 GLU A 21 -9.062 -15.787 -4.052 1.00 0.00 O ATOM 307 OE2 GLU A 21 -9.856 -15.852 -2.032 1.00 0.00 O ATOM 0 H GLU A 21 -7.288 -11.155 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.824 -11.253 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.205 -13.107 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.651 -13.008 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.957 -13.649 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.558 -13.690 -4.256 1.00 0.00 H new ATOM 314 N ASP A 22 -10.190 -11.167 -0.905 1.00 0.00 N ATOM 315 CA ASP A 22 -11.027 -10.587 0.149 1.00 0.00 C ATOM 316 C ASP A 22 -10.124 -9.715 1.012 1.00 0.00 C ATOM 317 O ASP A 22 -10.550 -8.820 1.723 1.00 0.00 O ATOM 318 CB ASP A 22 -11.695 -11.688 0.993 1.00 0.00 C ATOM 319 CG ASP A 22 -12.646 -11.163 2.056 1.00 0.00 C ATOM 320 OD1 ASP A 22 -12.200 -10.714 3.117 1.00 0.00 O ATOM 321 OD2 ASP A 22 -13.875 -11.188 1.837 1.00 0.00 O ATOM 0 H ASP A 22 -9.427 -11.755 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.831 -9.994 -0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.242 -12.358 0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.919 -12.282 1.476 1.00 0.00 H new ATOM 326 N GLU A 23 -8.853 -9.958 0.824 1.00 0.00 N ATOM 327 CA GLU A 23 -7.746 -9.371 1.544 1.00 0.00 C ATOM 328 C GLU A 23 -7.758 -7.846 1.444 1.00 0.00 C ATOM 329 O GLU A 23 -7.471 -7.140 2.407 1.00 0.00 O ATOM 330 CB GLU A 23 -6.430 -9.854 0.915 1.00 0.00 C ATOM 331 CG GLU A 23 -6.499 -11.107 0.017 1.00 0.00 C ATOM 332 CD GLU A 23 -7.074 -12.341 0.649 1.00 0.00 C ATOM 333 OE1 GLU A 23 -6.383 -13.007 1.426 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.233 -12.651 0.347 1.00 0.00 O ATOM 0 H GLU A 23 -8.539 -10.619 0.113 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.835 -9.669 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.017 -9.036 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.723 -10.053 1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.092 -10.865 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.491 -11.337 -0.330 1.00 0.00 H new ATOM 341 N LEU A 24 -8.111 -7.354 0.271 1.00 0.00 N ATOM 342 CA LEU A 24 -8.061 -5.927 -0.015 1.00 0.00 C ATOM 343 C LEU A 24 -9.063 -5.180 0.839 1.00 0.00 C ATOM 344 O LEU A 24 -8.820 -4.065 1.252 1.00 0.00 O ATOM 345 CB LEU A 24 -8.376 -5.662 -1.477 1.00 0.00 C ATOM 346 CG LEU A 24 -7.645 -4.491 -2.107 1.00 0.00 C ATOM 347 CD1 LEU A 24 -6.150 -4.780 -2.194 1.00 0.00 C ATOM 348 CD2 LEU A 24 -8.208 -4.194 -3.471 1.00 0.00 C ATOM 0 H LEU A 24 -8.439 -7.926 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.053 -5.579 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.144 -6.561 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.448 -5.491 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.788 -3.613 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.641 -3.930 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.753 -4.948 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.986 -5.669 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.673 -3.352 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.093 -5.069 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.266 -3.946 -3.382 1.00 0.00 H new ATOM 360 N LYS A 25 -10.154 -5.841 1.131 1.00 0.00 N ATOM 361 CA LYS A 25 -11.248 -5.287 1.908 1.00 0.00 C ATOM 362 C LYS A 25 -10.769 -4.967 3.318 1.00 0.00 C ATOM 363 O LYS A 25 -11.121 -3.929 3.893 1.00 0.00 O ATOM 364 CB LYS A 25 -12.371 -6.307 1.911 1.00 0.00 C ATOM 365 CG LYS A 25 -12.838 -6.625 0.496 1.00 0.00 C ATOM 366 CD LYS A 25 -13.456 -8.002 0.327 1.00 0.00 C ATOM 367 CE LYS A 25 -14.727 -8.182 1.094 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.505 -8.551 2.508 1.00 0.00 N ATOM 0 H LYS A 25 -10.316 -6.802 0.831 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.610 -4.355 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.032 -7.221 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.209 -5.926 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.567 -5.874 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.988 -6.537 -0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.651 -8.177 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.737 -8.756 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.303 -7.258 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.328 -8.954 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.701 -9.564 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.518 -8.353 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.141 -7.996 3.116 1.00 0.00 H new ATOM 382 N SER A 26 -9.939 -5.842 3.838 1.00 0.00 N ATOM 383 CA SER A 26 -9.310 -5.676 5.089 1.00 0.00 C ATOM 384 C SER A 26 -8.323 -4.517 5.026 1.00 0.00 C ATOM 385 O SER A 26 -8.378 -3.594 5.833 1.00 0.00 O ATOM 386 CB SER A 26 -8.568 -6.946 5.347 1.00 0.00 C ATOM 387 OG SER A 26 -9.452 -8.052 5.367 1.00 0.00 O ATOM 0 H SER A 26 -9.687 -6.713 3.370 1.00 0.00 H new ATOM 0 HA SER A 26 -10.035 -5.461 5.874 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.812 -7.093 4.576 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.043 -6.878 6.300 1.00 0.00 H new ATOM 0 HG SER A 26 -8.945 -8.873 5.536 1.00 0.00 H new ATOM 393 N PHE A 27 -7.459 -4.578 4.031 1.00 0.00 N ATOM 394 CA PHE A 27 -6.402 -3.607 3.793 1.00 0.00 C ATOM 395 C PHE A 27 -6.978 -2.166 3.701 1.00 0.00 C ATOM 396 O PHE A 27 -6.475 -1.250 4.366 1.00 0.00 O ATOM 397 CB PHE A 27 -5.673 -4.024 2.508 1.00 0.00 C ATOM 398 CG PHE A 27 -4.442 -3.231 2.132 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.539 -2.023 1.467 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.180 -3.715 2.442 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.404 -1.313 1.119 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.043 -3.011 2.096 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.154 -1.808 1.434 1.00 0.00 C ATOM 0 H PHE A 27 -7.472 -5.329 3.341 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.697 -3.593 4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.385 -5.071 2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.381 -3.964 1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.513 -1.629 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.085 -4.657 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.496 -0.370 0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.068 -3.403 2.344 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.267 -1.254 1.163 1.00 0.00 H new ATOM 413 N LYS A 28 -8.052 -1.994 2.904 1.00 0.00 N ATOM 414 CA LYS A 28 -8.758 -0.697 2.757 1.00 0.00 C ATOM 415 C LYS A 28 -9.154 -0.160 4.135 1.00 0.00 C ATOM 416 O LYS A 28 -8.850 0.972 4.503 1.00 0.00 O ATOM 417 CB LYS A 28 -10.061 -0.874 1.934 1.00 0.00 C ATOM 418 CG LYS A 28 -9.899 -1.306 0.481 1.00 0.00 C ATOM 419 CD LYS A 28 -11.261 -1.663 -0.130 1.00 0.00 C ATOM 420 CE LYS A 28 -11.134 -2.137 -1.574 1.00 0.00 C ATOM 421 NZ LYS A 28 -12.421 -2.625 -2.132 1.00 0.00 N ATOM 0 H LYS A 28 -8.456 -2.745 2.344 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.084 -0.007 2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.686 -1.610 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.604 0.071 1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.435 -0.504 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.232 -2.166 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.733 -2.443 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.915 -0.792 -0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.763 -1.318 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.394 -2.935 -1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.420 -2.502 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.539 -3.633 -1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.206 -2.082 -1.720 1.00 0.00 H new ATOM 435 N SER A 29 -9.801 -1.015 4.883 1.00 0.00 N ATOM 436 CA SER A 29 -10.319 -0.733 6.171 1.00 0.00 C ATOM 437 C SER A 29 -9.226 -0.382 7.185 1.00 0.00 C ATOM 438 O SER A 29 -9.321 0.608 7.911 1.00 0.00 O ATOM 439 CB SER A 29 -11.037 -1.970 6.587 1.00 0.00 C ATOM 440 OG SER A 29 -12.179 -2.210 5.767 1.00 0.00 O ATOM 0 H SER A 29 -9.983 -1.973 4.583 1.00 0.00 H new ATOM 0 HA SER A 29 -10.971 0.140 6.136 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.360 -2.822 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.347 -1.880 7.628 1.00 0.00 H new ATOM 0 HG SER A 29 -11.937 -2.821 5.040 1.00 0.00 H new ATOM 446 N LEU A 30 -8.229 -1.210 7.245 1.00 0.00 N ATOM 447 CA LEU A 30 -7.091 -1.031 8.135 1.00 0.00 C ATOM 448 C LEU A 30 -6.360 0.282 7.901 1.00 0.00 C ATOM 449 O LEU A 30 -5.959 0.946 8.856 1.00 0.00 O ATOM 450 CB LEU A 30 -6.146 -2.207 8.006 1.00 0.00 C ATOM 451 CG LEU A 30 -6.688 -3.529 8.531 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.823 -4.671 8.057 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.717 -3.509 10.049 1.00 0.00 C ATOM 0 H LEU A 30 -8.169 -2.051 6.671 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.478 -0.988 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.885 -2.330 6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.224 -1.973 8.538 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.701 -3.668 8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.221 -5.611 8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.817 -4.695 6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.805 -4.532 8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.106 -4.458 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.707 -3.358 10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.359 -2.697 10.390 1.00 0.00 H new ATOM 465 N LEU A 31 -6.224 0.688 6.662 1.00 0.00 N ATOM 466 CA LEU A 31 -5.524 1.933 6.385 1.00 0.00 C ATOM 467 C LEU A 31 -6.448 3.119 6.661 1.00 0.00 C ATOM 468 O LEU A 31 -6.008 4.248 6.801 1.00 0.00 O ATOM 469 CB LEU A 31 -4.928 1.927 4.945 1.00 0.00 C ATOM 470 CG LEU A 31 -5.850 2.220 3.752 1.00 0.00 C ATOM 471 CD1 LEU A 31 -5.915 3.708 3.486 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.378 1.483 2.512 1.00 0.00 C ATOM 0 H LEU A 31 -6.577 0.193 5.843 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.671 2.035 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.119 2.657 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.479 0.948 4.780 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.850 1.866 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.573 3.898 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.303 4.219 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.916 4.081 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.046 1.706 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.367 1.803 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.382 0.410 2.703 1.00 0.00 H new ATOM 484 N TRP A 32 -7.729 2.841 6.779 1.00 0.00 N ATOM 485 CA TRP A 32 -8.674 3.871 7.097 1.00 0.00 C ATOM 486 C TRP A 32 -8.828 3.978 8.603 1.00 0.00 C ATOM 487 O TRP A 32 -9.468 4.896 9.119 1.00 0.00 O ATOM 488 CB TRP A 32 -10.025 3.570 6.489 1.00 0.00 C ATOM 489 CG TRP A 32 -10.586 4.769 5.841 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.583 5.582 6.283 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.124 5.312 4.635 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.783 6.594 5.381 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.890 6.446 4.351 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.129 4.921 3.760 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.689 7.207 3.209 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.917 5.672 2.622 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.698 6.803 2.354 1.00 0.00 C ATOM 0 H TRP A 32 -8.131 1.912 6.659 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.301 4.810 6.689 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.929 2.767 5.758 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.707 3.217 7.263 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.132 5.450 7.203 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.480 7.334 5.462 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.530 4.046 3.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.289 8.081 3.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.140 5.384 1.930 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.515 7.369 1.453 1.00 0.00 H new ATOM 508 N ALA A 33 -8.253 3.019 9.301 1.00 0.00 N ATOM 509 CA ALA A 33 -8.344 2.955 10.735 1.00 0.00 C ATOM 510 C ALA A 33 -7.354 3.898 11.374 1.00 0.00 C ATOM 511 O ALA A 33 -7.708 4.652 12.288 1.00 0.00 O ATOM 512 CB ALA A 33 -8.122 1.532 11.230 1.00 0.00 C ATOM 0 H ALA A 33 -7.710 2.263 8.883 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.349 3.263 11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.196 1.509 12.317 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.879 0.875 10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.132 1.191 10.926 1.00 0.00 H new ATOM 518 N PHE A 34 -6.123 3.891 10.878 1.00 0.00 N ATOM 519 CA PHE A 34 -5.095 4.718 11.453 1.00 0.00 C ATOM 520 C PHE A 34 -5.394 6.193 11.128 1.00 0.00 C ATOM 521 O PHE A 34 -5.947 6.491 10.062 1.00 0.00 O ATOM 522 CB PHE A 34 -3.669 4.271 10.986 1.00 0.00 C ATOM 523 CG PHE A 34 -3.238 4.678 9.600 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.738 5.948 9.369 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.305 3.789 8.551 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.325 6.327 8.117 1.00 0.00 C ATOM 527 CE2 PHE A 34 -2.891 4.162 7.286 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.404 5.433 7.069 1.00 0.00 C ATOM 0 H PHE A 34 -5.824 3.323 10.085 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.098 4.601 12.537 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.942 4.666 11.695 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.618 3.184 11.050 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.672 6.651 10.186 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.684 2.792 8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.939 7.322 7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.949 3.458 6.469 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.085 5.729 6.080 1.00 0.00 H new ATOM 538 N PRO A 35 -5.086 7.120 12.045 1.00 0.00 N ATOM 539 CA PRO A 35 -5.369 8.536 11.844 1.00 0.00 C ATOM 540 C PRO A 35 -4.449 9.167 10.789 1.00 0.00 C ATOM 541 O PRO A 35 -3.246 9.364 11.017 1.00 0.00 O ATOM 542 CB PRO A 35 -5.148 9.156 13.230 1.00 0.00 C ATOM 543 CG PRO A 35 -4.181 8.242 13.908 1.00 0.00 C ATOM 544 CD PRO A 35 -4.429 6.865 13.349 1.00 0.00 C ATOM 0 HA PRO A 35 -6.377 8.704 11.463 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.748 10.167 13.152 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.083 9.225 13.786 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.154 8.557 13.722 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.328 8.254 14.988 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.499 6.311 13.225 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.066 6.275 14.008 1.00 0.00 H new ATOM 552 N LEU A 36 -5.023 9.470 9.648 1.00 0.00 N ATOM 553 CA LEU A 36 -4.303 10.019 8.510 1.00 0.00 C ATOM 554 C LEU A 36 -3.825 11.426 8.857 1.00 0.00 C ATOM 555 O LEU A 36 -4.626 12.282 9.252 1.00 0.00 O ATOM 556 CB LEU A 36 -5.239 10.082 7.321 1.00 0.00 C ATOM 557 CG LEU A 36 -6.041 8.787 7.018 1.00 0.00 C ATOM 558 CD1 LEU A 36 -7.061 9.007 5.929 1.00 0.00 C ATOM 559 CD2 LEU A 36 -5.129 7.653 6.618 1.00 0.00 C ATOM 0 H LEU A 36 -6.020 9.342 9.476 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.446 9.391 8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.947 10.895 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.655 10.340 6.437 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.558 8.521 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.602 8.079 5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.763 9.781 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.556 9.320 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.724 6.763 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.573 7.932 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.431 7.444 7.429 1.00 0.00 H new ATOM 571 N GLU A 37 -2.546 11.657 8.699 1.00 0.00 N ATOM 572 CA GLU A 37 -1.919 12.901 9.133 1.00 0.00 C ATOM 573 C GLU A 37 -2.152 14.049 8.148 1.00 0.00 C ATOM 574 O GLU A 37 -3.077 14.841 8.313 1.00 0.00 O ATOM 575 CB GLU A 37 -0.434 12.669 9.327 1.00 0.00 C ATOM 576 CG GLU A 37 -0.131 11.430 10.131 1.00 0.00 C ATOM 577 CD GLU A 37 1.360 11.172 10.255 1.00 0.00 C ATOM 578 OE1 GLU A 37 1.987 10.683 9.290 1.00 0.00 O ATOM 579 OE2 GLU A 37 1.942 11.494 11.312 1.00 0.00 O ATOM 0 H GLU A 37 -1.902 10.995 8.267 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.380 13.197 10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.046 12.589 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.001 13.535 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.564 11.531 11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.608 10.570 9.662 1.00 0.00 H new ATOM 586 N ASP A 38 -1.333 14.114 7.126 1.00 0.00 N ATOM 587 CA ASP A 38 -1.399 15.154 6.110 1.00 0.00 C ATOM 588 C ASP A 38 -1.243 14.488 4.778 1.00 0.00 C ATOM 589 O ASP A 38 -0.862 13.307 4.733 1.00 0.00 O ATOM 590 CB ASP A 38 -0.297 16.218 6.340 1.00 0.00 C ATOM 591 CG ASP A 38 -0.206 17.277 5.248 1.00 0.00 C ATOM 592 OD1 ASP A 38 -1.251 17.799 4.816 1.00 0.00 O ATOM 593 OD2 ASP A 38 0.922 17.599 4.804 1.00 0.00 O ATOM 0 H ASP A 38 -0.587 13.437 6.968 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.354 15.678 6.158 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.480 16.712 7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.666 15.714 6.422 1.00 0.00 H new ATOM 598 N VAL A 39 -1.571 15.207 3.702 1.00 0.00 N ATOM 599 CA VAL A 39 -1.551 14.725 2.320 1.00 0.00 C ATOM 600 C VAL A 39 -2.667 13.676 2.057 1.00 0.00 C ATOM 601 O VAL A 39 -3.341 13.688 1.010 1.00 0.00 O ATOM 602 CB VAL A 39 -0.158 14.193 1.964 1.00 0.00 C ATOM 603 CG1 VAL A 39 -0.145 13.517 0.619 1.00 0.00 C ATOM 604 CG2 VAL A 39 0.860 15.319 1.986 1.00 0.00 C ATOM 0 H VAL A 39 -1.870 16.180 3.773 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.766 15.566 1.661 1.00 0.00 H new ATOM 0 HB VAL A 39 0.109 13.450 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.860 13.154 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.840 12.677 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.446 14.229 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.844 14.925 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.575 16.081 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.893 15.760 2.982 1.00 0.00 H new ATOM 614 N LEU A 40 -2.849 12.801 3.007 1.00 0.00 N ATOM 615 CA LEU A 40 -3.907 11.832 3.034 1.00 0.00 C ATOM 616 C LEU A 40 -5.193 12.542 3.473 1.00 0.00 C ATOM 617 O LEU A 40 -5.345 13.752 3.241 1.00 0.00 O ATOM 618 CB LEU A 40 -3.536 10.753 4.055 1.00 0.00 C ATOM 619 CG LEU A 40 -2.317 9.909 3.730 1.00 0.00 C ATOM 620 CD1 LEU A 40 -1.942 9.080 4.931 1.00 0.00 C ATOM 621 CD2 LEU A 40 -2.615 8.998 2.554 1.00 0.00 C ATOM 0 H LEU A 40 -2.235 12.742 3.820 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.055 11.377 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.371 11.236 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.391 10.087 4.175 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.487 10.566 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.067 8.474 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.714 9.737 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.774 8.428 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.735 8.396 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.449 8.342 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.876 9.601 1.684 1.00 0.00 H new ATOM 633 N GLN A 41 -6.129 11.784 4.065 1.00 0.00 N ATOM 634 CA GLN A 41 -7.397 12.286 4.602 1.00 0.00 C ATOM 635 C GLN A 41 -8.391 12.602 3.485 1.00 0.00 C ATOM 636 O GLN A 41 -9.535 12.171 3.525 1.00 0.00 O ATOM 637 CB GLN A 41 -7.137 13.455 5.532 1.00 0.00 C ATOM 638 CG GLN A 41 -8.349 14.029 6.210 1.00 0.00 C ATOM 639 CD GLN A 41 -7.993 15.221 7.050 1.00 0.00 C ATOM 640 OE1 GLN A 41 -8.008 16.358 6.575 1.00 0.00 O ATOM 641 NE2 GLN A 41 -7.666 14.994 8.291 1.00 0.00 N ATOM 0 H GLN A 41 -6.019 10.777 4.185 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.872 11.505 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.431 13.136 6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.652 14.248 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.085 14.317 5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.813 13.267 6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.664 14.040 8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.412 15.770 8.902 1.00 0.00 H new ATOM 650 N LYS A 42 -7.921 13.281 2.462 1.00 0.00 N ATOM 651 CA LYS A 42 -8.721 13.566 1.285 1.00 0.00 C ATOM 652 C LYS A 42 -8.642 12.373 0.327 1.00 0.00 C ATOM 653 O LYS A 42 -9.112 12.436 -0.804 1.00 0.00 O ATOM 654 CB LYS A 42 -8.208 14.819 0.568 1.00 0.00 C ATOM 655 CG LYS A 42 -6.815 14.674 -0.033 1.00 0.00 C ATOM 656 CD LYS A 42 -6.475 15.861 -0.906 1.00 0.00 C ATOM 657 CE LYS A 42 -5.182 15.639 -1.669 1.00 0.00 C ATOM 658 NZ LYS A 42 -3.998 15.609 -0.796 1.00 0.00 N ATOM 0 H LYS A 42 -6.972 13.653 2.420 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.752 13.739 1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.908 15.081 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.201 15.650 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.078 14.582 0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.763 13.758 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.288 16.041 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.385 16.754 -0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.247 14.699 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.062 16.431 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.152 15.404 -1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.887 16.532 -0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.117 14.869 -0.075 1.00 0.00 H new ATOM 672 N THR A 43 -8.002 11.309 0.800 1.00 0.00 N ATOM 673 CA THR A 43 -7.806 10.089 0.071 1.00 0.00 C ATOM 674 C THR A 43 -9.158 9.547 -0.429 1.00 0.00 C ATOM 675 O THR A 43 -10.045 9.234 0.370 1.00 0.00 O ATOM 676 CB THR A 43 -7.129 9.065 0.997 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.998 9.703 1.636 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.636 7.855 0.207 1.00 0.00 C ATOM 0 H THR A 43 -7.596 11.285 1.736 1.00 0.00 H new ATOM 0 HA THR A 43 -7.172 10.274 -0.796 1.00 0.00 H new ATOM 0 HB THR A 43 -7.853 8.722 1.736 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.555 9.063 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.161 7.146 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.480 7.374 -0.287 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.914 8.179 -0.542 1.00 0.00 H new ATOM 686 N PRO A 44 -9.336 9.493 -1.750 1.00 0.00 N ATOM 687 CA PRO A 44 -10.595 9.081 -2.364 1.00 0.00 C ATOM 688 C PRO A 44 -10.925 7.585 -2.162 1.00 0.00 C ATOM 689 O PRO A 44 -10.375 6.714 -2.842 1.00 0.00 O ATOM 690 CB PRO A 44 -10.380 9.405 -3.850 1.00 0.00 C ATOM 691 CG PRO A 44 -8.898 9.354 -4.036 1.00 0.00 C ATOM 692 CD PRO A 44 -8.317 9.867 -2.764 1.00 0.00 C ATOM 0 HA PRO A 44 -11.446 9.593 -1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.885 8.682 -4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.778 10.388 -4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.563 8.337 -4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.588 9.966 -4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.350 9.411 -2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.160 10.945 -2.799 1.00 0.00 H new ATOM 700 N TRP A 45 -11.819 7.298 -1.221 1.00 0.00 N ATOM 701 CA TRP A 45 -12.245 5.931 -0.916 1.00 0.00 C ATOM 702 C TRP A 45 -12.958 5.302 -2.112 1.00 0.00 C ATOM 703 O TRP A 45 -12.830 4.125 -2.335 1.00 0.00 O ATOM 704 CB TRP A 45 -13.144 5.884 0.355 1.00 0.00 C ATOM 705 CG TRP A 45 -13.722 4.509 0.683 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.846 3.953 0.146 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.212 3.533 1.609 1.00 0.00 C ATOM 708 NE1 TRP A 45 -15.067 2.709 0.671 1.00 0.00 N ATOM 709 CE2 TRP A 45 -14.085 2.425 1.570 1.00 0.00 C ATOM 710 CE3 TRP A 45 -12.115 3.484 2.462 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.885 1.287 2.348 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.918 2.354 3.233 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.799 1.272 3.173 1.00 0.00 C ATOM 0 H TRP A 45 -12.272 8.008 -0.645 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.349 5.346 -0.708 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.560 6.230 1.208 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.967 6.587 0.226 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.475 4.429 -0.592 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.843 2.093 0.428 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.428 4.315 2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.564 0.449 2.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -11.066 2.307 3.895 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.617 0.406 3.792 1.00 0.00 H new ATOM 724 N SER A 46 -13.685 6.088 -2.889 1.00 0.00 N ATOM 725 CA SER A 46 -14.359 5.541 -4.064 1.00 0.00 C ATOM 726 C SER A 46 -13.329 4.964 -5.042 1.00 0.00 C ATOM 727 O SER A 46 -13.593 3.975 -5.729 1.00 0.00 O ATOM 728 CB SER A 46 -15.249 6.588 -4.745 1.00 0.00 C ATOM 729 OG SER A 46 -16.005 6.011 -5.810 1.00 0.00 O ATOM 0 H SER A 46 -13.825 7.087 -2.736 1.00 0.00 H new ATOM 0 HA SER A 46 -15.014 4.734 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.926 7.026 -4.011 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.631 7.398 -5.132 1.00 0.00 H new ATOM 0 HG SER A 46 -16.564 6.700 -6.225 1.00 0.00 H new ATOM 735 N GLU A 47 -12.145 5.560 -5.066 1.00 0.00 N ATOM 736 CA GLU A 47 -11.074 5.043 -5.871 1.00 0.00 C ATOM 737 C GLU A 47 -10.544 3.778 -5.238 1.00 0.00 C ATOM 738 O GLU A 47 -10.399 2.781 -5.907 1.00 0.00 O ATOM 739 CB GLU A 47 -9.952 6.067 -6.028 1.00 0.00 C ATOM 740 CG GLU A 47 -10.352 7.310 -6.794 1.00 0.00 C ATOM 741 CD GLU A 47 -10.650 7.039 -8.242 1.00 0.00 C ATOM 742 OE1 GLU A 47 -11.751 6.550 -8.557 1.00 0.00 O ATOM 743 OE2 GLU A 47 -9.793 7.320 -9.090 1.00 0.00 O ATOM 0 H GLU A 47 -11.913 6.399 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.460 4.824 -6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.601 6.360 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.112 5.594 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.231 7.752 -6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.551 8.046 -6.726 1.00 0.00 H new ATOM 750 N VAL A 48 -10.325 3.813 -3.913 1.00 0.00 N ATOM 751 CA VAL A 48 -9.754 2.668 -3.185 1.00 0.00 C ATOM 752 C VAL A 48 -10.702 1.462 -3.251 1.00 0.00 C ATOM 753 O VAL A 48 -10.267 0.319 -3.266 1.00 0.00 O ATOM 754 CB VAL A 48 -9.407 2.994 -1.668 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.788 4.355 -1.488 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.558 2.769 -0.699 1.00 0.00 C ATOM 0 H VAL A 48 -10.534 4.620 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.813 2.432 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.651 2.255 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.573 4.520 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.862 4.412 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.480 5.119 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.235 3.015 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.398 3.406 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.867 1.724 -0.737 1.00 0.00 H new ATOM 766 N GLU A 49 -11.989 1.758 -3.315 1.00 0.00 N ATOM 767 CA GLU A 49 -13.023 0.774 -3.338 1.00 0.00 C ATOM 768 C GLU A 49 -13.010 0.014 -4.618 1.00 0.00 C ATOM 769 O GLU A 49 -12.936 -1.212 -4.626 1.00 0.00 O ATOM 770 CB GLU A 49 -14.359 1.438 -3.184 1.00 0.00 C ATOM 771 CG GLU A 49 -15.214 0.718 -2.193 1.00 0.00 C ATOM 772 CD GLU A 49 -15.605 -0.679 -2.579 1.00 0.00 C ATOM 773 OE1 GLU A 49 -14.830 -1.609 -2.319 1.00 0.00 O ATOM 774 OE2 GLU A 49 -16.704 -0.877 -3.132 1.00 0.00 O ATOM 0 H GLU A 49 -12.337 2.716 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.848 0.083 -2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.219 2.471 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.865 1.469 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.685 0.680 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.121 1.300 -2.030 1.00 0.00 H new ATOM 781 N GLU A 50 -13.041 0.732 -5.705 1.00 0.00 N ATOM 782 CA GLU A 50 -13.119 0.089 -6.976 1.00 0.00 C ATOM 783 C GLU A 50 -11.737 -0.305 -7.499 1.00 0.00 C ATOM 784 O GLU A 50 -11.599 -0.868 -8.583 1.00 0.00 O ATOM 785 CB GLU A 50 -13.898 0.927 -7.979 1.00 0.00 C ATOM 786 CG GLU A 50 -15.361 1.091 -7.608 1.00 0.00 C ATOM 787 CD GLU A 50 -16.127 1.930 -8.591 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.392 1.462 -9.719 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.509 3.067 -8.252 1.00 0.00 O ATOM 0 H GLU A 50 -13.014 1.751 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.675 -0.838 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.437 1.911 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.828 0.463 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.825 0.107 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.430 1.545 -6.620 1.00 0.00 H new ATOM 796 N ALA A 51 -10.729 -0.010 -6.721 1.00 0.00 N ATOM 797 CA ALA A 51 -9.375 -0.358 -7.043 1.00 0.00 C ATOM 798 C ALA A 51 -9.087 -1.745 -6.602 1.00 0.00 C ATOM 799 O ALA A 51 -9.702 -2.262 -5.670 1.00 0.00 O ATOM 800 CB ALA A 51 -8.414 0.572 -6.355 1.00 0.00 C ATOM 0 H ALA A 51 -10.829 0.485 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.253 -0.276 -8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.392 0.293 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.603 1.595 -6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.550 0.502 -5.276 1.00 0.00 H new ATOM 806 N ASP A 52 -8.173 -2.342 -7.269 1.00 0.00 N ATOM 807 CA ASP A 52 -7.707 -3.642 -6.938 1.00 0.00 C ATOM 808 C ASP A 52 -6.247 -3.675 -7.226 1.00 0.00 C ATOM 809 O ASP A 52 -5.806 -2.977 -8.137 1.00 0.00 O ATOM 810 CB ASP A 52 -8.428 -4.729 -7.750 1.00 0.00 C ATOM 811 CG ASP A 52 -8.178 -4.639 -9.248 1.00 0.00 C ATOM 812 OD1 ASP A 52 -8.947 -3.930 -9.956 1.00 0.00 O ATOM 813 OD2 ASP A 52 -7.220 -5.262 -9.742 1.00 0.00 O ATOM 0 H ASP A 52 -7.713 -1.933 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.909 -3.847 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.107 -5.708 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.500 -4.658 -7.564 1.00 0.00 H new ATOM 818 N GLY A 53 -5.504 -4.383 -6.387 1.00 0.00 N ATOM 819 CA GLY A 53 -4.077 -4.618 -6.579 1.00 0.00 C ATOM 820 C GLY A 53 -3.267 -3.387 -6.985 1.00 0.00 C ATOM 821 O GLY A 53 -3.013 -2.488 -6.168 1.00 0.00 O ATOM 0 H GLY A 53 -5.878 -4.816 -5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.662 -5.018 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.950 -5.385 -7.343 1.00 0.00 H new ATOM 825 N LYS A 54 -2.928 -3.327 -8.274 1.00 0.00 N ATOM 826 CA LYS A 54 -2.110 -2.264 -8.848 1.00 0.00 C ATOM 827 C LYS A 54 -2.802 -0.946 -8.695 1.00 0.00 C ATOM 828 O LYS A 54 -2.186 0.060 -8.361 1.00 0.00 O ATOM 829 CB LYS A 54 -1.888 -2.496 -10.350 1.00 0.00 C ATOM 830 CG LYS A 54 -0.786 -1.622 -10.953 1.00 0.00 C ATOM 831 CD LYS A 54 -1.228 -0.677 -12.099 1.00 0.00 C ATOM 832 CE LYS A 54 -2.010 0.544 -11.615 1.00 0.00 C ATOM 833 NZ LYS A 54 -2.247 1.524 -12.701 1.00 0.00 N ATOM 0 H LYS A 54 -3.220 -4.027 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.154 -2.265 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.638 -3.544 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.821 -2.305 -10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.350 -1.018 -10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.004 -2.273 -11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.345 -0.341 -12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.843 -1.236 -12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.967 0.221 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.462 1.027 -10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.627 2.404 -12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.351 1.725 -13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.930 1.131 -13.380 1.00 0.00 H new ATOM 847 N LYS A 55 -4.084 -0.960 -8.939 1.00 0.00 N ATOM 848 CA LYS A 55 -4.874 0.226 -8.935 1.00 0.00 C ATOM 849 C LYS A 55 -4.936 0.830 -7.547 1.00 0.00 C ATOM 850 O LYS A 55 -4.982 2.028 -7.400 1.00 0.00 O ATOM 851 CB LYS A 55 -6.267 -0.077 -9.449 1.00 0.00 C ATOM 852 CG LYS A 55 -6.660 0.685 -10.695 1.00 0.00 C ATOM 853 CD LYS A 55 -6.945 2.162 -10.430 1.00 0.00 C ATOM 854 CE LYS A 55 -8.164 2.379 -9.526 1.00 0.00 C ATOM 855 NZ LYS A 55 -9.413 1.791 -10.089 1.00 0.00 N ATOM 0 H LYS A 55 -4.609 -1.809 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.407 0.956 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.339 -1.145 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.987 0.145 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.861 0.602 -11.432 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.545 0.223 -11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.070 2.619 -9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.107 2.672 -11.380 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.969 1.938 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.309 3.448 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.230 2.109 -9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.528 2.100 -11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.354 0.753 -10.056 1.00 0.00 H new ATOM 869 N LEU A 56 -4.926 -0.014 -6.538 1.00 0.00 N ATOM 870 CA LEU A 56 -4.947 0.459 -5.188 1.00 0.00 C ATOM 871 C LEU A 56 -3.598 1.072 -4.832 1.00 0.00 C ATOM 872 O LEU A 56 -3.533 2.134 -4.220 1.00 0.00 O ATOM 873 CB LEU A 56 -5.331 -0.642 -4.206 1.00 0.00 C ATOM 874 CG LEU A 56 -5.490 -0.182 -2.743 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.568 0.880 -2.614 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.804 -1.342 -1.844 1.00 0.00 C ATOM 0 H LEU A 56 -4.903 -1.029 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.714 1.229 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.269 -1.090 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.573 -1.424 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.539 0.252 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.656 1.184 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.302 1.744 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.520 0.475 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.911 -0.989 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.734 -1.810 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.995 -2.071 -1.894 1.00 0.00 H new ATOM 888 N ALA A 57 -2.526 0.418 -5.274 1.00 0.00 N ATOM 889 CA ALA A 57 -1.155 0.905 -5.062 1.00 0.00 C ATOM 890 C ALA A 57 -0.983 2.289 -5.701 1.00 0.00 C ATOM 891 O ALA A 57 -0.271 3.160 -5.187 1.00 0.00 O ATOM 892 CB ALA A 57 -0.163 -0.070 -5.674 1.00 0.00 C ATOM 0 H ALA A 57 -2.577 -0.462 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.969 0.984 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.852 0.295 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.275 -1.047 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.353 -0.159 -6.744 1.00 0.00 H new ATOM 898 N GLU A 58 -1.688 2.478 -6.804 1.00 0.00 N ATOM 899 CA GLU A 58 -1.706 3.716 -7.569 1.00 0.00 C ATOM 900 C GLU A 58 -2.276 4.868 -6.728 1.00 0.00 C ATOM 901 O GLU A 58 -1.899 6.032 -6.898 1.00 0.00 O ATOM 902 CB GLU A 58 -2.555 3.494 -8.826 1.00 0.00 C ATOM 903 CG GLU A 58 -2.740 4.701 -9.717 1.00 0.00 C ATOM 904 CD GLU A 58 -3.624 4.398 -10.895 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.106 3.912 -11.930 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.845 4.629 -10.818 1.00 0.00 O ATOM 0 H GLU A 58 -2.282 1.752 -7.205 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.689 3.989 -7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.098 2.698 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.539 3.138 -8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.173 5.517 -9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.768 5.043 -10.071 1.00 0.00 H new ATOM 913 N ILE A 59 -3.144 4.532 -5.814 1.00 0.00 N ATOM 914 CA ILE A 59 -3.773 5.502 -4.964 1.00 0.00 C ATOM 915 C ILE A 59 -2.840 5.857 -3.810 1.00 0.00 C ATOM 916 O ILE A 59 -2.763 7.011 -3.400 1.00 0.00 O ATOM 917 CB ILE A 59 -5.120 4.961 -4.471 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.956 4.624 -5.699 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.839 6.000 -3.604 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.093 3.704 -5.441 1.00 0.00 C ATOM 0 H ILE A 59 -3.436 3.571 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.970 6.417 -5.522 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.967 4.074 -3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.344 5.550 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.307 4.176 -6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.792 5.594 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.221 6.243 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.016 6.902 -4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.631 3.521 -6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.715 2.760 -5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.768 4.155 -4.714 1.00 0.00 H new ATOM 932 N LEU A 60 -2.078 4.868 -3.340 1.00 0.00 N ATOM 933 CA LEU A 60 -1.075 5.106 -2.296 1.00 0.00 C ATOM 934 C LEU A 60 -0.010 6.075 -2.793 1.00 0.00 C ATOM 935 O LEU A 60 0.381 7.009 -2.082 1.00 0.00 O ATOM 936 CB LEU A 60 -0.401 3.803 -1.790 1.00 0.00 C ATOM 937 CG LEU A 60 -1.144 2.960 -0.727 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.384 3.763 0.543 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.444 2.400 -1.257 1.00 0.00 C ATOM 0 H LEU A 60 -2.134 3.902 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.609 5.540 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.221 3.164 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.574 4.070 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.498 2.116 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.908 3.144 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.428 4.081 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.988 4.640 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.933 1.815 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.097 3.219 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.241 1.762 -2.117 1.00 0.00 H new ATOM 951 N VAL A 61 0.423 5.890 -4.039 1.00 0.00 N ATOM 952 CA VAL A 61 1.449 6.758 -4.612 1.00 0.00 C ATOM 953 C VAL A 61 0.839 8.076 -5.089 1.00 0.00 C ATOM 954 O VAL A 61 1.554 9.000 -5.489 1.00 0.00 O ATOM 955 CB VAL A 61 2.229 6.089 -5.781 1.00 0.00 C ATOM 956 CG1 VAL A 61 2.887 4.804 -5.331 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.332 5.837 -6.979 1.00 0.00 C ATOM 0 H VAL A 61 0.085 5.158 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 61 2.164 6.951 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 61 3.009 6.785 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.425 4.358 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.586 5.017 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.125 4.109 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.911 5.369 -7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.514 5.177 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.925 6.784 -7.335 1.00 0.00 H new ATOM 967 N ASN A 62 -0.479 8.161 -5.044 1.00 0.00 N ATOM 968 CA ASN A 62 -1.176 9.371 -5.450 1.00 0.00 C ATOM 969 C ASN A 62 -1.165 10.365 -4.294 1.00 0.00 C ATOM 970 O ASN A 62 -1.326 11.581 -4.480 1.00 0.00 O ATOM 971 CB ASN A 62 -2.627 9.067 -5.904 1.00 0.00 C ATOM 972 CG ASN A 62 -3.367 10.289 -6.445 1.00 0.00 C ATOM 973 OD1 ASN A 62 -2.761 11.212 -6.995 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.668 10.283 -6.340 1.00 0.00 N ATOM 0 H ASN A 62 -1.089 7.406 -4.730 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.659 9.804 -6.307 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.604 8.296 -6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.185 8.659 -5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.214 11.057 -6.719 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.139 9.504 -5.879 1.00 0.00 H new ATOM 981 N THR A 63 -0.954 9.858 -3.108 1.00 0.00 N ATOM 982 CA THR A 63 -0.903 10.684 -1.952 1.00 0.00 C ATOM 983 C THR A 63 0.503 10.755 -1.333 1.00 0.00 C ATOM 984 O THR A 63 1.232 11.738 -1.519 1.00 0.00 O ATOM 985 CB THR A 63 -1.936 10.221 -0.891 1.00 0.00 C ATOM 986 OG1 THR A 63 -1.826 8.798 -0.685 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.357 10.568 -1.315 1.00 0.00 C ATOM 0 H THR A 63 -0.814 8.864 -2.926 1.00 0.00 H new ATOM 0 HA THR A 63 -1.160 11.691 -2.282 1.00 0.00 H new ATOM 0 HB THR A 63 -1.719 10.744 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.578 8.488 -0.138 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.057 10.231 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.447 11.647 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.586 10.075 -2.260 1.00 0.00 H new ATOM 995 N SER A 64 0.896 9.702 -0.687 1.00 0.00 N ATOM 996 CA SER A 64 2.053 9.701 0.161 1.00 0.00 C ATOM 997 C SER A 64 3.353 9.454 -0.593 1.00 0.00 C ATOM 998 O SER A 64 3.362 8.887 -1.690 1.00 0.00 O ATOM 999 CB SER A 64 1.847 8.638 1.221 1.00 0.00 C ATOM 1000 OG SER A 64 0.573 8.796 1.835 1.00 0.00 O ATOM 0 H SER A 64 0.416 8.803 -0.733 1.00 0.00 H new ATOM 0 HA SER A 64 2.155 10.691 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.922 7.647 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.633 8.708 1.973 1.00 0.00 H new ATOM 0 HG SER A 64 0.450 8.103 2.517 1.00 0.00 H new ATOM 1006 N SER A 65 4.433 9.922 -0.004 1.00 0.00 N ATOM 1007 CA SER A 65 5.762 9.700 -0.497 1.00 0.00 C ATOM 1008 C SER A 65 6.143 8.253 -0.175 1.00 0.00 C ATOM 1009 O SER A 65 5.642 7.692 0.816 1.00 0.00 O ATOM 1010 CB SER A 65 6.682 10.645 0.245 1.00 0.00 C ATOM 1011 OG SER A 65 6.130 11.959 0.262 1.00 0.00 O ATOM 0 H SER A 65 4.403 10.479 0.850 1.00 0.00 H new ATOM 0 HA SER A 65 5.833 9.871 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.831 10.292 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.661 10.661 -0.233 1.00 0.00 H new ATOM 0 HG SER A 65 6.733 12.561 0.746 1.00 0.00 H new ATOM 1017 N GLU A 66 7.037 7.664 -0.950 1.00 0.00 N ATOM 1018 CA GLU A 66 7.391 6.260 -0.775 1.00 0.00 C ATOM 1019 C GLU A 66 8.044 6.023 0.579 1.00 0.00 C ATOM 1020 O GLU A 66 7.836 4.988 1.202 1.00 0.00 O ATOM 1021 CB GLU A 66 8.295 5.719 -1.907 1.00 0.00 C ATOM 1022 CG GLU A 66 9.787 6.092 -1.863 1.00 0.00 C ATOM 1023 CD GLU A 66 10.091 7.540 -2.137 1.00 0.00 C ATOM 1024 OE1 GLU A 66 9.646 8.419 -1.368 1.00 0.00 O ATOM 1025 OE2 GLU A 66 10.766 7.824 -3.138 1.00 0.00 O ATOM 0 H GLU A 66 7.533 8.133 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 66 6.454 5.705 -0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.220 4.632 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.889 6.067 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.181 5.834 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.320 5.481 -2.591 1.00 0.00 H new ATOM 1032 N ASN A 67 8.797 7.011 1.036 1.00 0.00 N ATOM 1033 CA ASN A 67 9.491 6.944 2.320 1.00 0.00 C ATOM 1034 C ASN A 67 8.486 6.797 3.472 1.00 0.00 C ATOM 1035 O ASN A 67 8.772 6.168 4.485 1.00 0.00 O ATOM 1036 CB ASN A 67 10.348 8.191 2.532 1.00 0.00 C ATOM 1037 CG ASN A 67 11.270 8.067 3.734 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.753 6.982 4.045 1.00 0.00 O ATOM 1039 ND2 ASN A 67 11.514 9.156 4.415 1.00 0.00 N ATOM 0 H ASN A 67 8.947 7.884 0.530 1.00 0.00 H new ATOM 0 HA ASN A 67 10.140 6.069 2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.944 8.374 1.638 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.698 9.056 2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.123 9.120 5.233 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.096 10.041 4.128 1.00 0.00 H new ATOM 1046 N TRP A 68 7.305 7.353 3.294 1.00 0.00 N ATOM 1047 CA TRP A 68 6.261 7.251 4.289 1.00 0.00 C ATOM 1048 C TRP A 68 5.515 5.926 4.083 1.00 0.00 C ATOM 1049 O TRP A 68 5.251 5.177 5.036 1.00 0.00 O ATOM 1050 CB TRP A 68 5.297 8.442 4.155 1.00 0.00 C ATOM 1051 CG TRP A 68 4.320 8.592 5.286 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.492 9.340 6.412 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.025 7.994 5.403 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.384 9.245 7.213 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.479 8.427 6.624 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.274 7.136 4.601 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.228 8.035 7.058 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 1.032 6.750 5.039 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.524 7.199 6.254 1.00 0.00 C ATOM 0 H TRP A 68 7.045 7.884 2.463 1.00 0.00 H new ATOM 0 HA TRP A 68 6.691 7.271 5.290 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.882 9.358 4.075 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.740 8.338 3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.373 9.922 6.640 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.260 9.715 8.110 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.661 6.783 3.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.826 8.380 7.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.438 6.085 4.429 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.457 6.873 6.566 1.00 0.00 H new ATOM 1070 N ILE A 69 5.229 5.613 2.812 1.00 0.00 N ATOM 1071 CA ILE A 69 4.489 4.396 2.452 1.00 0.00 C ATOM 1072 C ILE A 69 5.244 3.132 2.910 1.00 0.00 C ATOM 1073 O ILE A 69 4.613 2.122 3.245 1.00 0.00 O ATOM 1074 CB ILE A 69 4.203 4.294 0.910 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.464 5.529 0.400 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.359 3.053 0.601 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.290 5.556 -1.110 1.00 0.00 C ATOM 0 H ILE A 69 5.500 6.188 2.014 1.00 0.00 H new ATOM 0 HA ILE A 69 3.532 4.462 2.970 1.00 0.00 H new ATOM 0 HB ILE A 69 5.167 4.222 0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.482 5.574 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.008 6.421 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.171 2.999 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.895 2.160 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.410 3.117 1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.757 6.462 -1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.269 5.543 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.719 4.683 -1.426 1.00 0.00 H new ATOM 1089 N ARG A 70 6.587 3.209 2.971 1.00 0.00 N ATOM 1090 CA ARG A 70 7.425 2.058 3.351 1.00 0.00 C ATOM 1091 C ARG A 70 7.125 1.593 4.775 1.00 0.00 C ATOM 1092 O ARG A 70 7.455 0.477 5.153 1.00 0.00 O ATOM 1093 CB ARG A 70 8.935 2.354 3.212 1.00 0.00 C ATOM 1094 CG ARG A 70 9.530 3.121 4.372 1.00 0.00 C ATOM 1095 CD ARG A 70 11.029 3.263 4.251 1.00 0.00 C ATOM 1096 NE ARG A 70 11.599 3.655 5.539 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.895 3.716 5.846 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.820 3.650 4.900 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.255 3.893 7.110 1.00 0.00 N ATOM 0 H ARG A 70 7.114 4.057 2.762 1.00 0.00 H new ATOM 0 HA ARG A 70 7.171 1.260 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.470 1.410 3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.099 2.920 2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.076 4.110 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.289 2.611 5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.467 2.320 3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.272 4.009 3.494 1.00 0.00 H new ATOM 0 HE ARG A 70 10.940 3.907 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.544 3.551 3.923 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.808 3.698 5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.543 3.981 7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.244 3.941 7.357 1.00 0.00 H new ATOM 1113 N ASN A 71 6.544 2.459 5.566 1.00 0.00 N ATOM 1114 CA ASN A 71 6.144 2.085 6.897 1.00 0.00 C ATOM 1115 C ASN A 71 4.688 1.673 6.850 1.00 0.00 C ATOM 1116 O ASN A 71 4.319 0.582 7.286 1.00 0.00 O ATOM 1117 CB ASN A 71 6.314 3.248 7.878 1.00 0.00 C ATOM 1118 CG ASN A 71 5.955 2.845 9.296 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.196 1.714 9.717 1.00 0.00 O ATOM 1120 ND2 ASN A 71 5.349 3.739 10.027 1.00 0.00 N ATOM 0 H ASN A 71 6.338 3.425 5.312 1.00 0.00 H new ATOM 0 HA ASN A 71 6.773 1.265 7.243 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.345 3.600 7.850 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.685 4.082 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.060 3.510 10.978 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.164 4.668 9.648 1.00 0.00 H new ATOM 1127 N ALA A 72 3.888 2.536 6.231 1.00 0.00 N ATOM 1128 CA ALA A 72 2.445 2.378 6.121 1.00 0.00 C ATOM 1129 C ALA A 72 2.015 1.025 5.575 1.00 0.00 C ATOM 1130 O ALA A 72 1.313 0.280 6.257 1.00 0.00 O ATOM 1131 CB ALA A 72 1.871 3.475 5.264 1.00 0.00 C ATOM 0 H ALA A 72 4.235 3.384 5.782 1.00 0.00 H new ATOM 0 HA ALA A 72 2.055 2.440 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.791 3.349 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.092 4.442 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.314 3.429 4.269 1.00 0.00 H new ATOM 1137 N THR A 73 2.469 0.685 4.366 1.00 0.00 N ATOM 1138 CA THR A 73 2.024 -0.537 3.721 1.00 0.00 C ATOM 1139 C THR A 73 2.454 -1.757 4.524 1.00 0.00 C ATOM 1140 O THR A 73 1.690 -2.706 4.664 1.00 0.00 O ATOM 1141 CB THR A 73 2.479 -0.656 2.212 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.839 -1.774 1.585 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.998 -0.822 2.068 1.00 0.00 C ATOM 0 H THR A 73 3.136 1.236 3.825 1.00 0.00 H new ATOM 0 HA THR A 73 0.935 -0.494 3.700 1.00 0.00 H new ATOM 0 HB THR A 73 2.187 0.275 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.129 -1.835 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.257 -0.899 1.012 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.501 0.041 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.316 -1.727 2.587 1.00 0.00 H new ATOM 1151 N VAL A 74 3.639 -1.682 5.106 1.00 0.00 N ATOM 1152 CA VAL A 74 4.187 -2.763 5.874 1.00 0.00 C ATOM 1153 C VAL A 74 3.338 -3.021 7.107 1.00 0.00 C ATOM 1154 O VAL A 74 2.928 -4.153 7.345 1.00 0.00 O ATOM 1155 CB VAL A 74 5.672 -2.487 6.248 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.191 -3.506 7.239 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.534 -2.513 4.990 1.00 0.00 C ATOM 0 H VAL A 74 4.243 -0.862 5.053 1.00 0.00 H new ATOM 0 HA VAL A 74 4.171 -3.665 5.262 1.00 0.00 H new ATOM 0 HB VAL A 74 5.724 -1.503 6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.231 -3.284 7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.592 -3.466 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.124 -4.503 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.573 -2.319 5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.457 -3.492 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.189 -1.746 4.296 1.00 0.00 H new ATOM 1167 N ASN A 75 3.010 -1.963 7.835 1.00 0.00 N ATOM 1168 CA ASN A 75 2.206 -2.079 9.029 1.00 0.00 C ATOM 1169 C ASN A 75 0.831 -2.642 8.733 1.00 0.00 C ATOM 1170 O ASN A 75 0.343 -3.456 9.487 1.00 0.00 O ATOM 1171 CB ASN A 75 2.087 -0.748 9.766 1.00 0.00 C ATOM 1172 CG ASN A 75 3.369 -0.253 10.405 1.00 0.00 C ATOM 1173 OD1 ASN A 75 3.551 0.949 10.558 1.00 0.00 O ATOM 1174 ND2 ASN A 75 4.269 -1.145 10.782 1.00 0.00 N ATOM 0 H ASN A 75 3.295 -1.009 7.611 1.00 0.00 H new ATOM 0 HA ASN A 75 2.725 -2.782 9.681 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.733 0.008 9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.327 -0.846 10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.141 -0.839 11.213 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.091 -2.140 10.642 1.00 0.00 H new ATOM 1181 N ILE A 76 0.223 -2.241 7.616 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.100 -2.771 7.243 1.00 0.00 C ATOM 1183 C ILE A 76 -0.993 -4.286 7.000 1.00 0.00 C ATOM 1184 O ILE A 76 -1.826 -5.053 7.472 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.692 -2.087 5.972 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.692 -0.548 6.096 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.114 -2.587 5.715 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.529 0.015 7.227 1.00 0.00 C ATOM 0 H ILE A 76 0.612 -1.563 6.960 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.776 -2.556 8.070 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.054 -2.355 5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.663 -0.211 6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.050 -0.125 5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.515 -2.102 4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.098 -3.666 5.564 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.744 -2.350 6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.459 1.103 7.225 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.569 -0.282 7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.161 -0.370 8.178 1.00 0.00 H new ATOM 1200 N LEU A 77 0.065 -4.710 6.299 1.00 0.00 N ATOM 1201 CA LEU A 77 0.311 -6.138 6.079 1.00 0.00 C ATOM 1202 C LEU A 77 0.537 -6.862 7.405 1.00 0.00 C ATOM 1203 O LEU A 77 0.067 -7.984 7.603 1.00 0.00 O ATOM 1204 CB LEU A 77 1.491 -6.386 5.127 1.00 0.00 C ATOM 1205 CG LEU A 77 1.214 -6.240 3.628 1.00 0.00 C ATOM 1206 CD1 LEU A 77 2.130 -5.213 2.997 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.427 -7.565 2.945 1.00 0.00 C ATOM 0 H LEU A 77 0.758 -4.091 5.878 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.582 -6.543 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.292 -5.696 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.866 -7.394 5.306 1.00 0.00 H new ATOM 0 HG LEU A 77 0.182 -5.910 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.908 -5.133 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.975 -4.245 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.167 -5.521 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.230 -7.460 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.457 -7.889 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.749 -8.306 3.368 1.00 0.00 H new ATOM 1219 N GLU A 78 1.228 -6.209 8.314 1.00 0.00 N ATOM 1220 CA GLU A 78 1.462 -6.744 9.641 1.00 0.00 C ATOM 1221 C GLU A 78 0.143 -6.866 10.407 1.00 0.00 C ATOM 1222 O GLU A 78 -0.102 -7.862 11.084 1.00 0.00 O ATOM 1223 CB GLU A 78 2.469 -5.882 10.402 1.00 0.00 C ATOM 1224 CG GLU A 78 3.826 -5.834 9.740 1.00 0.00 C ATOM 1225 CD GLU A 78 4.858 -5.132 10.557 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.714 -3.922 10.835 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.835 -5.792 10.972 1.00 0.00 O ATOM 0 H GLU A 78 1.644 -5.291 8.155 1.00 0.00 H new ATOM 0 HA GLU A 78 1.889 -7.742 9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.078 -4.868 10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.579 -6.270 11.415 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.161 -6.852 9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.734 -5.334 8.776 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.720 -5.880 10.236 1.00 0.00 N ATOM 1235 CA GLU A 79 -2.040 -5.871 10.846 1.00 0.00 C ATOM 1236 C GLU A 79 -2.961 -6.915 10.221 1.00 0.00 C ATOM 1237 O GLU A 79 -3.965 -7.305 10.811 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.662 -4.489 10.780 1.00 0.00 C ATOM 1239 CG GLU A 79 -1.931 -3.460 11.609 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.706 -2.194 11.773 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.836 -1.411 10.816 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -3.191 -1.939 12.897 1.00 0.00 O ATOM 0 H GLU A 79 -0.524 -5.057 9.666 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.913 -6.136 11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.684 -4.158 9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.697 -4.548 11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.715 -3.879 12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.973 -3.236 11.140 1.00 0.00 H new ATOM 1249 N MET A 80 -2.610 -7.379 9.035 1.00 0.00 N ATOM 1250 CA MET A 80 -3.362 -8.441 8.381 1.00 0.00 C ATOM 1251 C MET A 80 -2.769 -9.785 8.755 1.00 0.00 C ATOM 1252 O MET A 80 -3.217 -10.830 8.278 1.00 0.00 O ATOM 1253 CB MET A 80 -3.351 -8.293 6.855 1.00 0.00 C ATOM 1254 CG MET A 80 -4.055 -7.060 6.329 1.00 0.00 C ATOM 1255 SD MET A 80 -4.075 -6.976 4.528 1.00 0.00 S ATOM 1256 CE MET A 80 -4.988 -8.464 4.133 1.00 0.00 C ATOM 0 H MET A 80 -1.809 -7.039 8.503 1.00 0.00 H new ATOM 0 HA MET A 80 -4.396 -8.372 8.720 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.316 -8.276 6.514 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.817 -9.175 6.416 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.080 -7.048 6.699 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.563 -6.171 6.723 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.361 -8.401 3.111 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.332 -9.329 4.227 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.828 -8.569 4.820 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.748 -9.736 9.620 1.00 0.00 N ATOM 1267 CA ASN A 81 -1.019 -10.914 10.103 1.00 0.00 C ATOM 1268 C ASN A 81 -0.336 -11.613 8.916 1.00 0.00 C ATOM 1269 O ASN A 81 -0.250 -12.832 8.831 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.961 -11.867 10.883 1.00 0.00 C ATOM 1271 CG ASN A 81 -1.234 -13.012 11.582 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.083 -12.879 11.997 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -1.896 -14.134 11.717 1.00 0.00 N ATOM 0 H ASN A 81 -1.400 -8.860 10.010 1.00 0.00 H new ATOM 0 HA ASN A 81 -0.245 -10.602 10.804 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.512 -11.291 11.626 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.696 -12.282 10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.459 -14.932 12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.849 -14.210 11.361 1.00 0.00 H new ATOM 1280 N LEU A 82 0.151 -10.815 8.005 1.00 0.00 N ATOM 1281 CA LEU A 82 0.857 -11.305 6.851 1.00 0.00 C ATOM 1282 C LEU A 82 2.360 -11.217 7.105 1.00 0.00 C ATOM 1283 O LEU A 82 2.847 -10.219 7.667 1.00 0.00 O ATOM 1284 CB LEU A 82 0.460 -10.481 5.607 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.013 -10.589 5.155 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.302 -9.652 3.991 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.352 -12.008 4.757 1.00 0.00 C ATOM 0 H LEU A 82 0.069 -9.799 8.042 1.00 0.00 H new ATOM 0 HA LEU A 82 0.593 -12.347 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.680 -9.432 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.096 -10.788 4.777 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.634 -10.298 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.346 -9.751 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.106 -8.624 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.660 -9.910 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.394 -12.059 4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.709 -12.318 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.197 -12.671 5.608 1.00 0.00 H new ATOM 1299 N THR A 83 3.079 -12.248 6.744 1.00 0.00 N ATOM 1300 CA THR A 83 4.515 -12.271 6.893 1.00 0.00 C ATOM 1301 C THR A 83 5.174 -12.461 5.562 1.00 0.00 C ATOM 1302 O THR A 83 5.937 -11.636 5.142 1.00 0.00 O ATOM 1303 CB THR A 83 4.994 -13.377 7.847 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.267 -14.595 7.614 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.899 -12.951 9.290 1.00 0.00 C ATOM 0 H THR A 83 2.687 -13.097 6.338 1.00 0.00 H new ATOM 0 HA THR A 83 4.796 -11.310 7.323 1.00 0.00 H new ATOM 0 HB THR A 83 6.048 -13.562 7.638 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.586 -15.289 8.228 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.247 -13.760 9.932 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.519 -12.069 9.450 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.863 -12.715 9.532 1.00 0.00 H new ATOM 1313 N GLU A 84 4.790 -13.515 4.892 1.00 0.00 N ATOM 1314 CA GLU A 84 5.344 -13.949 3.612 1.00 0.00 C ATOM 1315 C GLU A 84 5.567 -12.807 2.604 1.00 0.00 C ATOM 1316 O GLU A 84 6.679 -12.584 2.129 1.00 0.00 O ATOM 1317 CB GLU A 84 4.475 -15.067 2.994 1.00 0.00 C ATOM 1318 CG GLU A 84 2.945 -14.861 3.093 1.00 0.00 C ATOM 1319 CD GLU A 84 2.369 -15.224 4.445 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.141 -16.417 4.701 1.00 0.00 O ATOM 1321 OE2 GLU A 84 2.167 -14.317 5.282 1.00 0.00 O ATOM 0 H GLU A 84 4.050 -14.130 5.229 1.00 0.00 H new ATOM 0 HA GLU A 84 6.336 -14.342 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.742 -15.169 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.728 -16.009 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.713 -13.818 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.456 -15.462 2.326 1.00 0.00 H new ATOM 1328 N LEU A 85 4.529 -12.095 2.289 1.00 0.00 N ATOM 1329 CA LEU A 85 4.647 -10.994 1.355 1.00 0.00 C ATOM 1330 C LEU A 85 5.044 -9.702 2.066 1.00 0.00 C ATOM 1331 O LEU A 85 5.627 -8.822 1.481 1.00 0.00 O ATOM 1332 CB LEU A 85 3.383 -10.807 0.467 1.00 0.00 C ATOM 1333 CG LEU A 85 2.036 -10.455 1.138 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.017 -10.099 0.083 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.493 -11.601 1.982 1.00 0.00 C ATOM 0 H LEU A 85 3.590 -12.247 2.658 1.00 0.00 H new ATOM 0 HA LEU A 85 5.453 -11.256 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.604 -10.023 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.238 -11.729 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 85 2.218 -9.607 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.069 -9.852 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.370 -9.241 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.875 -10.947 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.546 -11.304 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.337 -12.476 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.208 -11.844 2.768 1.00 0.00 H new ATOM 1347 N CYS A 86 4.798 -9.631 3.339 1.00 0.00 N ATOM 1348 CA CYS A 86 5.137 -8.445 4.107 1.00 0.00 C ATOM 1349 C CYS A 86 6.660 -8.345 4.272 1.00 0.00 C ATOM 1350 O CYS A 86 7.244 -7.277 4.192 1.00 0.00 O ATOM 1351 CB CYS A 86 4.466 -8.524 5.448 1.00 0.00 C ATOM 1352 SG CYS A 86 4.764 -7.121 6.537 1.00 0.00 S ATOM 0 H CYS A 86 4.362 -10.377 3.881 1.00 0.00 H new ATOM 0 HA CYS A 86 4.791 -7.554 3.584 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.391 -8.622 5.294 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.800 -9.432 5.951 1.00 0.00 H new ATOM 0 HG CYS A 86 3.666 -6.816 7.162 1.00 0.00 H new ATOM 1358 N LYS A 87 7.290 -9.482 4.457 1.00 0.00 N ATOM 1359 CA LYS A 87 8.731 -9.589 4.558 1.00 0.00 C ATOM 1360 C LYS A 87 9.370 -9.308 3.213 1.00 0.00 C ATOM 1361 O LYS A 87 10.522 -8.883 3.134 1.00 0.00 O ATOM 1362 CB LYS A 87 9.101 -10.968 5.071 1.00 0.00 C ATOM 1363 CG LYS A 87 8.750 -11.176 6.542 1.00 0.00 C ATOM 1364 CD LYS A 87 8.779 -12.648 6.944 1.00 0.00 C ATOM 1365 CE LYS A 87 10.058 -13.327 6.514 1.00 0.00 C ATOM 1366 NZ LYS A 87 10.145 -14.710 7.013 1.00 0.00 N ATOM 0 H LYS A 87 6.808 -10.377 4.543 1.00 0.00 H new ATOM 0 HA LYS A 87 9.106 -8.848 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.589 -11.721 4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.171 -11.125 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.452 -10.619 7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.758 -10.768 6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.671 -12.731 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.928 -13.162 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.118 -13.330 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.912 -12.756 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.038 -15.138 6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.114 -14.707 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.345 -15.263 6.644 1.00 0.00 H new ATOM 1380 N MET A 88 8.594 -9.517 2.160 1.00 0.00 N ATOM 1381 CA MET A 88 9.004 -9.187 0.823 1.00 0.00 C ATOM 1382 C MET A 88 9.063 -7.676 0.734 1.00 0.00 C ATOM 1383 O MET A 88 10.021 -7.113 0.250 1.00 0.00 O ATOM 1384 CB MET A 88 7.992 -9.743 -0.182 1.00 0.00 C ATOM 1385 CG MET A 88 8.291 -9.427 -1.637 1.00 0.00 C ATOM 1386 SD MET A 88 7.015 -10.040 -2.772 1.00 0.00 S ATOM 1387 CE MET A 88 7.149 -11.818 -2.526 1.00 0.00 C ATOM 0 H MET A 88 7.660 -9.922 2.220 1.00 0.00 H new ATOM 0 HA MET A 88 9.977 -9.621 0.592 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.943 -10.825 -0.064 1.00 0.00 H new ATOM 0 HB3 MET A 88 7.005 -9.350 0.064 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.388 -8.348 -1.756 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.252 -9.865 -1.908 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.645 -12.337 -3.341 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.200 -12.105 -2.508 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.683 -12.090 -1.579 1.00 0.00 H new ATOM 1397 N ALA A 89 8.046 -7.028 1.275 1.00 0.00 N ATOM 1398 CA ALA A 89 7.992 -5.566 1.330 1.00 0.00 C ATOM 1399 C ALA A 89 9.168 -5.028 2.139 1.00 0.00 C ATOM 1400 O ALA A 89 9.836 -4.085 1.735 1.00 0.00 O ATOM 1401 CB ALA A 89 6.683 -5.094 1.939 1.00 0.00 C ATOM 0 H ALA A 89 7.236 -7.491 1.688 1.00 0.00 H new ATOM 0 HA ALA A 89 8.054 -5.184 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.667 -4.005 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.850 -5.452 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.591 -5.486 2.952 1.00 0.00 H new ATOM 1407 N LYS A 90 9.456 -5.693 3.238 1.00 0.00 N ATOM 1408 CA LYS A 90 10.566 -5.335 4.129 1.00 0.00 C ATOM 1409 C LYS A 90 11.942 -5.545 3.465 1.00 0.00 C ATOM 1410 O LYS A 90 12.972 -5.221 4.042 1.00 0.00 O ATOM 1411 CB LYS A 90 10.467 -6.128 5.441 1.00 0.00 C ATOM 1412 CG LYS A 90 9.214 -5.809 6.249 1.00 0.00 C ATOM 1413 CD LYS A 90 9.074 -6.698 7.478 1.00 0.00 C ATOM 1414 CE LYS A 90 7.854 -6.290 8.299 1.00 0.00 C ATOM 1415 NZ LYS A 90 7.659 -7.113 9.505 1.00 0.00 N ATOM 0 H LYS A 90 8.927 -6.507 3.551 1.00 0.00 H new ATOM 0 HA LYS A 90 10.481 -4.270 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.482 -7.194 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.346 -5.919 6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.242 -4.765 6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.336 -5.929 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.981 -7.740 7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.973 -6.625 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.956 -5.246 8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.964 -6.359 7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.110 -6.576 10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.145 -7.981 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.585 -7.363 9.908 1.00 0.00 H new ATOM 1429 N ALA A 91 11.944 -6.084 2.261 1.00 0.00 N ATOM 1430 CA ALA A 91 13.166 -6.312 1.511 1.00 0.00 C ATOM 1431 C ALA A 91 13.201 -5.443 0.250 1.00 0.00 C ATOM 1432 O ALA A 91 14.155 -4.718 -0.020 1.00 0.00 O ATOM 1433 CB ALA A 91 13.254 -7.786 1.117 1.00 0.00 C ATOM 0 H ALA A 91 11.097 -6.377 1.774 1.00 0.00 H new ATOM 0 HA ALA A 91 14.015 -6.044 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.171 -7.958 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.259 -8.403 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.395 -8.050 0.500 1.00 0.00 H new ATOM 1439 N GLU A 92 12.128 -5.530 -0.472 1.00 0.00 N ATOM 1440 CA GLU A 92 11.939 -4.906 -1.769 1.00 0.00 C ATOM 1441 C GLU A 92 11.651 -3.431 -1.668 1.00 0.00 C ATOM 1442 O GLU A 92 12.209 -2.614 -2.390 1.00 0.00 O ATOM 1443 CB GLU A 92 10.738 -5.588 -2.395 1.00 0.00 C ATOM 1444 CG GLU A 92 10.996 -7.034 -2.789 1.00 0.00 C ATOM 1445 CD GLU A 92 11.667 -7.199 -4.128 1.00 0.00 C ATOM 1446 OE1 GLU A 92 12.729 -6.587 -4.361 1.00 0.00 O ATOM 1447 OE2 GLU A 92 11.172 -7.992 -4.953 1.00 0.00 O ATOM 0 H GLU A 92 11.312 -6.062 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 92 12.852 -5.013 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.905 -5.555 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.433 -5.028 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.616 -7.502 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.047 -7.570 -2.802 1.00 0.00 H new ATOM 1454 N MET A 93 10.774 -3.109 -0.782 1.00 0.00 N ATOM 1455 CA MET A 93 10.255 -1.788 -0.666 1.00 0.00 C ATOM 1456 C MET A 93 11.120 -0.989 0.301 1.00 0.00 C ATOM 1457 O MET A 93 11.305 0.223 0.154 1.00 0.00 O ATOM 1458 CB MET A 93 8.843 -1.953 -0.162 1.00 0.00 C ATOM 1459 CG MET A 93 7.873 -0.908 -0.555 1.00 0.00 C ATOM 1460 SD MET A 93 7.980 0.574 0.428 1.00 0.00 S ATOM 1461 CE MET A 93 6.496 1.403 -0.086 1.00 0.00 C ATOM 0 H MET A 93 10.389 -3.767 -0.105 1.00 0.00 H new ATOM 0 HA MET A 93 10.259 -1.243 -1.610 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.467 -2.915 -0.510 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.873 -1.998 0.927 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.033 -0.651 -1.602 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.864 -1.313 -0.477 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.647 2.481 -0.040 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.253 1.114 -1.108 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.675 1.123 0.575 1.00 0.00 H new ATOM 1471 N MET A 94 11.668 -1.688 1.265 1.00 0.00 N ATOM 1472 CA MET A 94 12.545 -1.097 2.244 1.00 0.00 C ATOM 1473 C MET A 94 13.977 -1.320 1.829 1.00 0.00 C ATOM 1474 O MET A 94 14.465 -2.455 1.883 1.00 0.00 O ATOM 1475 CB MET A 94 12.331 -1.731 3.622 1.00 0.00 C ATOM 1476 CG MET A 94 10.951 -1.537 4.206 1.00 0.00 C ATOM 1477 SD MET A 94 10.769 -2.270 5.855 1.00 0.00 S ATOM 1478 CE MET A 94 12.116 -1.470 6.743 1.00 0.00 C ATOM 0 H MET A 94 11.517 -2.689 1.392 1.00 0.00 H new ATOM 0 HA MET A 94 12.324 -0.031 2.304 1.00 0.00 H new ATOM 0 HB2 MET A 94 12.531 -2.800 3.549 1.00 0.00 H new ATOM 0 HB3 MET A 94 13.064 -1.316 4.314 1.00 0.00 H new ATOM 0 HG2 MET A 94 10.733 -0.470 4.263 1.00 0.00 H new ATOM 0 HG3 MET A 94 10.213 -1.978 3.535 1.00 0.00 H new ATOM 0 HE1 MET A 94 11.913 -1.498 7.814 1.00 0.00 H new ATOM 0 HE2 MET A 94 13.049 -1.993 6.536 1.00 0.00 H new ATOM 0 HE3 MET A 94 12.202 -0.433 6.417 1.00 0.00 H new ATOM 1488 N GLU A 95 14.644 -0.280 1.381 1.00 0.00 N ATOM 1489 CA GLU A 95 16.025 -0.407 1.023 1.00 0.00 C ATOM 1490 C GLU A 95 16.851 -0.648 2.272 1.00 0.00 C ATOM 1491 O GLU A 95 16.686 0.033 3.292 1.00 0.00 O ATOM 1492 CB GLU A 95 16.531 0.806 0.229 1.00 0.00 C ATOM 1493 CG GLU A 95 18.019 0.744 -0.125 1.00 0.00 C ATOM 1494 CD GLU A 95 18.419 -0.473 -0.952 1.00 0.00 C ATOM 1495 OE1 GLU A 95 18.523 -1.595 -0.397 1.00 0.00 O ATOM 1496 OE2 GLU A 95 18.691 -0.321 -2.154 1.00 0.00 O ATOM 0 H GLU A 95 14.250 0.653 1.259 1.00 0.00 H new ATOM 0 HA GLU A 95 16.132 -1.265 0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.953 0.891 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.344 1.710 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.287 1.646 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 95 18.600 0.748 0.797 1.00 0.00 H new ATOM 1503 N ASP A 96 17.703 -1.619 2.184 1.00 0.00 N ATOM 1504 CA ASP A 96 18.530 -2.041 3.285 1.00 0.00 C ATOM 1505 C ASP A 96 19.832 -1.308 3.247 1.00 0.00 C ATOM 1506 O ASP A 96 20.297 -0.771 4.250 1.00 0.00 O ATOM 1507 CB ASP A 96 18.810 -3.540 3.187 1.00 0.00 C ATOM 1508 CG ASP A 96 19.736 -4.023 4.276 1.00 0.00 C ATOM 1509 OD1 ASP A 96 19.250 -4.331 5.387 1.00 0.00 O ATOM 1510 OD2 ASP A 96 20.969 -4.112 4.048 1.00 0.00 O ATOM 0 H ASP A 96 17.851 -2.156 1.330 1.00 0.00 H new ATOM 0 HA ASP A 96 18.006 -1.826 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 96 17.869 -4.087 3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 96 19.250 -3.762 2.215 1.00 0.00 H new ATOM 1515 N GLY A 97 20.397 -1.254 2.080 1.00 0.00 N ATOM 1516 CA GLY A 97 21.694 -0.690 1.915 1.00 0.00 C ATOM 1517 C GLY A 97 22.572 -1.664 1.215 1.00 0.00 C ATOM 1518 O GLY A 97 23.409 -1.290 0.390 1.00 0.00 O ATOM 0 H GLY A 97 19.971 -1.599 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 97 21.630 0.235 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 97 22.118 -0.435 2.886 1.00 0.00 H new ATOM 1522 N GLN A 98 22.378 -2.922 1.532 1.00 0.00 N ATOM 1523 CA GLN A 98 23.104 -3.997 0.904 1.00 0.00 C ATOM 1524 C GLN A 98 22.144 -5.074 0.469 1.00 0.00 C ATOM 1525 O GLN A 98 21.037 -5.160 0.990 1.00 0.00 O ATOM 1526 CB GLN A 98 24.135 -4.619 1.857 1.00 0.00 C ATOM 1527 CG GLN A 98 25.253 -3.690 2.278 1.00 0.00 C ATOM 1528 CD GLN A 98 26.307 -4.368 3.142 1.00 0.00 C ATOM 1529 OE1 GLN A 98 25.914 -5.328 3.951 1.00 0.00 O flip ATOM 1530 NE2 GLN A 98 27.474 -4.000 3.091 1.00 0.00 N flip ATOM 0 H GLN A 98 21.708 -3.229 2.237 1.00 0.00 H new ATOM 0 HA GLN A 98 23.629 -3.579 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 98 23.618 -4.970 2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 98 24.571 -5.495 1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 98 25.731 -3.282 1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 98 24.830 -2.849 2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 98 27.746 -3.253 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 98 28.174 -4.441 3.687 1.00 0.00 H new TER 1539 GLN A 98