USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 649 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 54 HIS : no HD1:sc= -2.57 X(o=-2.6,f=-3!) USER MOD Set 1.2: A 58 SER OG : rot -140:sc= 0 USER MOD Set 2.1: A 53 GLN : amide:sc= 0.38 K(o=-0.64,f=-5.8!) USER MOD Set 2.2: A 127 MET CE :methyl -130:sc= -1.02 (180deg=-2.78!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 33 SER OG : rot 180:sc= 0.041 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.89 F(o=-5.9!,f=-1.9) USER MOD Single : A 42 GLN : amide:sc= -1.03 X(o=-1,f=-1.3) USER MOD Single : A 46 SER OG : rot 170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.974 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0305 X(o=-0.03,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.421 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.492 F(o=-1.6,f=-0.49) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN :FLIP amide:sc= 0.597 F(o=-0.08,f=0.6) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -99:sc= 1.14 USER MOD Single : A 75 HIS : no HE2:sc= -0.213 K(o=-0.21,f=-1.5) USER MOD Single : A 76 THR OG1 : rot 69:sc= -2.71! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -103:sc= 0.103 USER MOD Single : A 82 MET CE :methyl -173:sc= 0 (180deg=-0.0145) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.9) USER MOD Single : A 87 HIS : no HE2:sc= -6.36! C(o=-6.4!,f=-9.1!) USER MOD Single : A 103 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-4.9!) USER MOD Single : A 105 ASN : amide:sc= -4.35! C(o=-4.4!,f=-11!) USER MOD Single : A 109 MET CE :methyl 159:sc= -4.87! (180deg=-5.97!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -86:sc= 0.743 USER MOD Single : A 117 SER OG : rot 102:sc= 1 USER MOD Single : A 119 MET CE :methyl -120:sc= -1.13 (180deg=-3.5!) USER MOD Single : A 124 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.4) USER MOD Single : A 125 HIS :FLIP no HE2:sc= -0.137 F(o=-1,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.734 10.347 -7.231 1.00 0.00 N ATOM 44 CA THR A 32 -15.971 10.297 -6.457 1.00 0.00 C ATOM 45 C THR A 32 -15.728 9.719 -5.067 1.00 0.00 C ATOM 46 O THR A 32 -14.731 9.038 -4.831 1.00 0.00 O ATOM 47 CB THR A 32 -17.025 9.464 -7.188 1.00 0.00 C ATOM 48 OG1 THR A 32 -18.190 9.322 -6.395 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.546 8.075 -7.552 1.00 0.00 C ATOM 0 HA THR A 32 -16.335 11.318 -6.346 1.00 0.00 H new ATOM 0 HB THR A 32 -17.236 10.010 -8.108 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.853 8.788 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.343 7.539 -8.068 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.677 8.149 -8.205 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.273 7.535 -6.645 1.00 0.00 H new ATOM 57 N SER A 33 -16.652 9.994 -4.151 1.00 0.00 N ATOM 58 CA SER A 33 -16.548 9.502 -2.782 1.00 0.00 C ATOM 59 C SER A 33 -16.463 7.979 -2.757 1.00 0.00 C ATOM 60 O SER A 33 -15.731 7.399 -1.955 1.00 0.00 O ATOM 61 CB SER A 33 -17.749 9.970 -1.958 1.00 0.00 C ATOM 62 OG SER A 33 -18.145 11.278 -2.331 1.00 0.00 O ATOM 0 H SER A 33 -17.483 10.556 -4.333 1.00 0.00 H new ATOM 0 HA SER A 33 -15.635 9.907 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.581 9.281 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.496 9.952 -0.898 1.00 0.00 H new ATOM 0 HG SER A 33 -18.915 11.553 -1.791 1.00 0.00 H new ATOM 68 N SER A 34 -17.217 7.338 -3.645 1.00 0.00 N ATOM 69 CA SER A 34 -17.228 5.883 -3.729 1.00 0.00 C ATOM 70 C SER A 34 -15.880 5.358 -4.211 1.00 0.00 C ATOM 71 O SER A 34 -15.454 4.269 -3.828 1.00 0.00 O ATOM 72 CB SER A 34 -18.338 5.415 -4.671 1.00 0.00 C ATOM 73 OG SER A 34 -19.552 6.098 -4.410 1.00 0.00 O ATOM 0 H SER A 34 -17.828 7.804 -4.316 1.00 0.00 H new ATOM 0 HA SER A 34 -17.417 5.486 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.037 5.585 -5.705 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.489 4.342 -4.555 1.00 0.00 H new ATOM 0 HG SER A 34 -20.245 5.781 -5.027 1.00 0.00 H new ATOM 79 N GLN A 35 -15.214 6.141 -5.052 1.00 0.00 N ATOM 80 CA GLN A 35 -13.913 5.755 -5.586 1.00 0.00 C ATOM 81 C GLN A 35 -12.812 6.000 -4.562 1.00 0.00 C ATOM 82 O GLN A 35 -11.850 5.238 -4.481 1.00 0.00 O ATOM 83 CB GLN A 35 -13.617 6.527 -6.871 1.00 0.00 C ATOM 84 CG GLN A 35 -12.237 6.253 -7.448 1.00 0.00 C ATOM 85 CD GLN A 35 -12.289 5.796 -8.893 1.00 0.00 C ATOM 86 OE1 GLN A 35 -12.175 4.606 -9.185 1.00 0.00 O ATOM 87 NE2 GLN A 35 -12.463 6.744 -9.807 1.00 0.00 N ATOM 0 H GLN A 35 -15.553 7.046 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.941 4.689 -5.812 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.370 6.273 -7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.712 7.595 -6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.632 7.157 -7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.741 5.491 -6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.553 7.719 -9.520 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.507 6.497 -10.796 1.00 0.00 H new ATOM 96 N LEU A 36 -12.962 7.061 -3.774 1.00 0.00 N ATOM 97 CA LEU A 36 -11.976 7.393 -2.752 1.00 0.00 C ATOM 98 C LEU A 36 -11.716 6.184 -1.861 1.00 0.00 C ATOM 99 O LEU A 36 -10.567 5.814 -1.610 1.00 0.00 O ATOM 100 CB LEU A 36 -12.465 8.573 -1.906 1.00 0.00 C ATOM 101 CG LEU A 36 -11.941 9.945 -2.335 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.422 9.933 -2.438 1.00 0.00 C ATOM 103 CD2 LEU A 36 -12.567 10.366 -3.657 1.00 0.00 C ATOM 0 H LEU A 36 -13.753 7.703 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.045 7.676 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.554 8.593 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.177 8.400 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.224 10.673 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.070 10.918 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.994 9.680 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.113 9.192 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.183 11.344 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.317 9.636 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.650 10.420 -3.546 1.00 0.00 H new ATOM 115 N LEU A 37 -12.795 5.561 -1.402 1.00 0.00 N ATOM 116 CA LEU A 37 -12.692 4.383 -0.556 1.00 0.00 C ATOM 117 C LEU A 37 -12.396 3.143 -1.396 1.00 0.00 C ATOM 118 O LEU A 37 -11.843 2.163 -0.899 1.00 0.00 O ATOM 119 CB LEU A 37 -13.984 4.183 0.238 1.00 0.00 C ATOM 120 CG LEU A 37 -15.226 3.892 -0.608 1.00 0.00 C ATOM 121 CD1 LEU A 37 -15.512 2.399 -0.641 1.00 0.00 C ATOM 122 CD2 LEU A 37 -16.428 4.655 -0.070 1.00 0.00 C ATOM 0 H LEU A 37 -13.751 5.854 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.869 4.534 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.839 3.360 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.169 5.078 0.832 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.034 4.227 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.398 2.212 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.660 1.875 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.683 2.039 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.302 4.436 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.621 4.351 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.223 5.725 -0.099 1.00 0.00 H new ATOM 134 N SER A 38 -12.766 3.192 -2.675 1.00 0.00 N ATOM 135 CA SER A 38 -12.534 2.070 -3.576 1.00 0.00 C ATOM 136 C SER A 38 -11.041 1.839 -3.783 1.00 0.00 C ATOM 137 O SER A 38 -10.604 0.713 -4.020 1.00 0.00 O ATOM 138 CB SER A 38 -13.215 2.320 -4.922 1.00 0.00 C ATOM 139 OG SER A 38 -13.242 1.140 -5.707 1.00 0.00 O ATOM 0 H SER A 38 -13.225 3.994 -3.107 1.00 0.00 H new ATOM 0 HA SER A 38 -12.962 1.177 -3.121 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.233 2.675 -4.758 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.686 3.107 -5.460 1.00 0.00 H new ATOM 0 HG SER A 38 -13.684 1.326 -6.562 1.00 0.00 H new ATOM 145 N VAL A 39 -10.260 2.913 -3.694 1.00 0.00 N ATOM 146 CA VAL A 39 -8.816 2.819 -3.876 1.00 0.00 C ATOM 147 C VAL A 39 -8.127 2.372 -2.590 1.00 0.00 C ATOM 148 O VAL A 39 -7.203 1.560 -2.623 1.00 0.00 O ATOM 149 CB VAL A 39 -8.196 4.155 -4.339 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.977 3.897 -5.210 1.00 0.00 C ATOM 151 CG2 VAL A 39 -9.214 5.005 -5.086 1.00 0.00 C ATOM 0 H VAL A 39 -10.602 3.854 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.656 2.075 -4.656 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.884 4.708 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.550 4.848 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.234 3.339 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.271 3.319 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.748 5.939 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.567 4.463 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.057 5.222 -4.431 1.00 0.00 H new ATOM 161 N ARG A 40 -8.579 2.899 -1.454 1.00 0.00 N ATOM 162 CA ARG A 40 -7.991 2.531 -0.169 1.00 0.00 C ATOM 163 C ARG A 40 -8.319 1.077 0.176 1.00 0.00 C ATOM 164 O ARG A 40 -7.633 0.452 0.985 1.00 0.00 O ATOM 165 CB ARG A 40 -8.464 3.491 0.941 1.00 0.00 C ATOM 166 CG ARG A 40 -9.170 2.820 2.114 1.00 0.00 C ATOM 167 CD ARG A 40 -10.573 2.369 1.741 1.00 0.00 C ATOM 168 NE ARG A 40 -11.494 2.456 2.872 1.00 0.00 N ATOM 169 CZ ARG A 40 -11.443 1.655 3.934 1.00 0.00 C ATOM 170 NH1 ARG A 40 -10.517 0.707 4.014 1.00 0.00 N ATOM 171 NH2 ARG A 40 -12.319 1.802 4.918 1.00 0.00 N ATOM 0 H ARG A 40 -9.341 3.574 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.907 2.620 -0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.601 4.038 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.139 4.226 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.588 1.961 2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.222 3.514 2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.946 2.984 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.539 1.341 1.379 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.219 3.173 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.840 0.590 3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.482 0.096 4.830 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.032 2.529 4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.280 1.188 5.732 1.00 0.00 H new ATOM 185 N HIS A 41 -9.367 0.543 -0.445 1.00 0.00 N ATOM 186 CA HIS A 41 -9.778 -0.835 -0.204 1.00 0.00 C ATOM 187 C HIS A 41 -8.933 -1.805 -1.025 1.00 0.00 C ATOM 188 O HIS A 41 -8.630 -2.911 -0.579 1.00 0.00 O ATOM 189 CB HIS A 41 -11.259 -1.015 -0.546 1.00 0.00 C ATOM 190 CG HIS A 41 -12.186 -0.574 0.545 1.00 0.00 C ATOM 191 ND1 HIS A 41 -13.221 0.299 0.529 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.104 -1.044 1.839 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.739 0.339 1.800 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.049 -0.480 2.571 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.946 1.044 -1.118 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.627 -1.054 0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.485 -0.453 -1.452 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.447 -2.066 -0.768 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.381 -1.761 2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.576 0.943 2.117 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.216 -0.649 3.563 1.00 0.00 H new ATOM 203 N GLN A 42 -8.557 -1.383 -2.230 1.00 0.00 N ATOM 204 CA GLN A 42 -7.749 -2.217 -3.115 1.00 0.00 C ATOM 205 C GLN A 42 -6.273 -2.169 -2.724 1.00 0.00 C ATOM 206 O GLN A 42 -5.553 -3.159 -2.858 1.00 0.00 O ATOM 207 CB GLN A 42 -7.927 -1.770 -4.573 1.00 0.00 C ATOM 208 CG GLN A 42 -7.040 -0.601 -4.979 1.00 0.00 C ATOM 209 CD GLN A 42 -5.730 -1.051 -5.597 1.00 0.00 C ATOM 210 OE1 GLN A 42 -5.694 -1.997 -6.383 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.645 -0.372 -5.243 1.00 0.00 N ATOM 0 H GLN A 42 -8.799 -0.470 -2.615 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.091 -3.247 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.718 -2.615 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.969 -1.493 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.576 0.027 -5.690 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.832 0.014 -4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.721 0.406 -4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.735 -0.628 -5.626 1.00 0.00 H new ATOM 220 N LEU A 43 -5.828 -1.011 -2.247 1.00 0.00 N ATOM 221 CA LEU A 43 -4.437 -0.831 -1.847 1.00 0.00 C ATOM 222 C LEU A 43 -4.171 -1.470 -0.487 1.00 0.00 C ATOM 223 O LEU A 43 -3.210 -2.220 -0.320 1.00 0.00 O ATOM 224 CB LEU A 43 -4.090 0.664 -1.809 1.00 0.00 C ATOM 225 CG LEU A 43 -2.608 1.032 -2.015 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.969 1.430 -0.694 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.831 -0.110 -2.659 1.00 0.00 C ATOM 0 H LEU A 43 -6.411 -0.183 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.803 -1.326 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.677 1.170 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.410 1.064 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.571 1.883 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.923 1.687 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.493 2.292 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.032 0.597 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.790 0.186 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.881 -0.991 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.266 -0.343 -3.631 1.00 0.00 H new ATOM 239 N ALA A 44 -5.029 -1.169 0.484 1.00 0.00 N ATOM 240 CA ALA A 44 -4.887 -1.716 1.829 1.00 0.00 C ATOM 241 C ALA A 44 -4.779 -3.238 1.797 1.00 0.00 C ATOM 242 O ALA A 44 -3.876 -3.818 2.399 1.00 0.00 O ATOM 243 CB ALA A 44 -6.061 -1.290 2.698 1.00 0.00 C ATOM 0 H ALA A 44 -5.830 -0.549 0.364 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.966 -1.321 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.942 -1.705 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.094 -0.202 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.989 -1.657 2.261 1.00 0.00 H new ATOM 249 N GLU A 45 -5.704 -3.876 1.089 1.00 0.00 N ATOM 250 CA GLU A 45 -5.712 -5.330 0.976 1.00 0.00 C ATOM 251 C GLU A 45 -4.422 -5.832 0.336 1.00 0.00 C ATOM 252 O GLU A 45 -3.774 -6.743 0.851 1.00 0.00 O ATOM 253 CB GLU A 45 -6.916 -5.792 0.153 1.00 0.00 C ATOM 254 CG GLU A 45 -8.157 -6.061 0.990 1.00 0.00 C ATOM 255 CD GLU A 45 -8.791 -7.403 0.679 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.102 -7.653 -0.504 1.00 0.00 O ATOM 257 OE2 GLU A 45 -8.977 -8.203 1.620 1.00 0.00 O ATOM 0 H GLU A 45 -6.458 -3.410 0.585 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.785 -5.747 1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.149 -5.032 -0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.649 -6.700 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.893 -6.024 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.886 -5.270 0.816 1.00 0.00 H new ATOM 264 N SER A 46 -4.055 -5.230 -0.791 1.00 0.00 N ATOM 265 CA SER A 46 -2.842 -5.614 -1.504 1.00 0.00 C ATOM 266 C SER A 46 -1.601 -5.326 -0.665 1.00 0.00 C ATOM 267 O SER A 46 -0.578 -5.996 -0.803 1.00 0.00 O ATOM 268 CB SER A 46 -2.753 -4.870 -2.837 1.00 0.00 C ATOM 269 OG SER A 46 -3.489 -5.541 -3.845 1.00 0.00 O ATOM 0 H SER A 46 -4.581 -4.474 -1.230 1.00 0.00 H new ATOM 0 HA SER A 46 -2.888 -6.686 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.135 -3.856 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.710 -4.784 -3.140 1.00 0.00 H new ATOM 0 HG SER A 46 -3.552 -4.970 -4.639 1.00 0.00 H new ATOM 275 N ALA A 47 -1.698 -4.324 0.204 1.00 0.00 N ATOM 276 CA ALA A 47 -0.582 -3.949 1.064 1.00 0.00 C ATOM 277 C ALA A 47 -0.321 -5.019 2.120 1.00 0.00 C ATOM 278 O ALA A 47 -0.547 -4.801 3.310 1.00 0.00 O ATOM 279 CB ALA A 47 -0.854 -2.605 1.724 1.00 0.00 C ATOM 0 H ALA A 47 -2.537 -3.758 0.331 1.00 0.00 H new ATOM 0 HA ALA A 47 0.311 -3.862 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.013 -2.337 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.984 -1.842 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.760 -2.672 2.326 1.00 0.00 H new ATOM 285 N GLY A 48 0.157 -6.176 1.674 1.00 0.00 N ATOM 286 CA GLY A 48 0.442 -7.264 2.591 1.00 0.00 C ATOM 287 C GLY A 48 0.850 -8.535 1.872 1.00 0.00 C ATOM 288 O GLY A 48 0.202 -8.947 0.910 1.00 0.00 O ATOM 0 H GLY A 48 0.352 -6.380 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.239 -6.963 3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.440 -7.462 3.201 1.00 0.00 H new ATOM 292 N LEU A 49 1.928 -9.157 2.338 1.00 0.00 N ATOM 293 CA LEU A 49 2.422 -10.388 1.732 1.00 0.00 C ATOM 294 C LEU A 49 1.435 -11.534 1.946 1.00 0.00 C ATOM 295 O LEU A 49 0.714 -11.562 2.944 1.00 0.00 O ATOM 296 CB LEU A 49 3.786 -10.756 2.317 1.00 0.00 C ATOM 297 CG LEU A 49 4.919 -9.780 1.991 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.248 -10.326 2.485 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.977 -9.507 0.495 1.00 0.00 C ATOM 0 H LEU A 49 2.476 -8.829 3.133 1.00 0.00 H new ATOM 0 HA LEU A 49 2.528 -10.220 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.691 -10.829 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.064 -11.745 1.954 1.00 0.00 H new ATOM 0 HG LEU A 49 4.720 -8.839 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.043 -9.620 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.204 -10.470 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.452 -11.281 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.789 -8.811 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.151 -10.441 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.032 -9.073 0.167 1.00 0.00 H new ATOM 311 N PRO A 50 1.383 -12.496 1.007 1.00 0.00 N ATOM 312 CA PRO A 50 0.470 -13.640 1.102 1.00 0.00 C ATOM 313 C PRO A 50 0.727 -14.494 2.345 1.00 0.00 C ATOM 314 O PRO A 50 -0.009 -14.400 3.327 1.00 0.00 O ATOM 315 CB PRO A 50 0.739 -14.438 -0.184 1.00 0.00 C ATOM 316 CG PRO A 50 1.429 -13.485 -1.100 1.00 0.00 C ATOM 317 CD PRO A 50 2.196 -12.542 -0.219 1.00 0.00 C ATOM 0 HA PRO A 50 -0.568 -13.320 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.361 -15.311 0.017 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.190 -14.803 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.097 -14.013 -1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.709 -12.945 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.204 -12.905 -0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.296 -11.556 -0.674 1.00 0.00 H new ATOM 325 N ARG A 51 1.764 -15.330 2.303 1.00 0.00 N ATOM 326 CA ARG A 51 2.086 -16.191 3.436 1.00 0.00 C ATOM 327 C ARG A 51 3.590 -16.452 3.541 1.00 0.00 C ATOM 328 O ARG A 51 4.277 -15.844 4.362 1.00 0.00 O ATOM 329 CB ARG A 51 1.323 -17.518 3.336 1.00 0.00 C ATOM 330 CG ARG A 51 1.107 -18.017 1.912 1.00 0.00 C ATOM 331 CD ARG A 51 -0.273 -18.631 1.738 1.00 0.00 C ATOM 332 NE ARG A 51 -0.222 -20.091 1.707 1.00 0.00 N ATOM 333 CZ ARG A 51 0.385 -20.792 0.752 1.00 0.00 C ATOM 334 NH1 ARG A 51 0.991 -20.171 -0.253 1.00 0.00 N ATOM 335 NH2 ARG A 51 0.386 -22.117 0.801 1.00 0.00 N ATOM 0 H ARG A 51 2.389 -15.428 1.503 1.00 0.00 H new ATOM 0 HA ARG A 51 1.776 -15.669 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.868 -18.279 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.352 -17.402 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.228 -17.189 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.869 -18.757 1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.919 -18.308 2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.719 -18.264 0.814 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.678 -20.603 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.993 -19.152 -0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.455 -20.713 -0.982 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.078 -22.599 1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.851 -22.654 0.069 1.00 0.00 H new ATOM 349 N ASP A 52 4.092 -17.367 2.716 1.00 0.00 N ATOM 350 CA ASP A 52 5.509 -17.720 2.725 1.00 0.00 C ATOM 351 C ASP A 52 6.390 -16.500 2.479 1.00 0.00 C ATOM 352 O ASP A 52 7.508 -16.419 2.988 1.00 0.00 O ATOM 353 CB ASP A 52 5.794 -18.787 1.667 1.00 0.00 C ATOM 354 CG ASP A 52 5.466 -20.185 2.153 1.00 0.00 C ATOM 355 OD1 ASP A 52 6.044 -20.609 3.176 1.00 0.00 O ATOM 356 OD2 ASP A 52 4.631 -20.856 1.511 1.00 0.00 O ATOM 0 H ASP A 52 3.537 -17.879 2.031 1.00 0.00 H new ATOM 0 HA ASP A 52 5.746 -18.116 3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.212 -18.571 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.845 -18.741 1.383 1.00 0.00 H new ATOM 361 N GLN A 53 5.885 -15.554 1.693 1.00 0.00 N ATOM 362 CA GLN A 53 6.634 -14.341 1.379 1.00 0.00 C ATOM 363 C GLN A 53 7.164 -13.678 2.648 1.00 0.00 C ATOM 364 O GLN A 53 8.244 -13.088 2.646 1.00 0.00 O ATOM 365 CB GLN A 53 5.752 -13.359 0.607 1.00 0.00 C ATOM 366 CG GLN A 53 5.612 -13.697 -0.869 1.00 0.00 C ATOM 367 CD GLN A 53 4.948 -15.040 -1.099 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.070 -15.450 -0.340 1.00 0.00 O ATOM 369 NE2 GLN A 53 5.365 -15.733 -2.153 1.00 0.00 N ATOM 0 H GLN A 53 4.962 -15.603 1.262 1.00 0.00 H new ATOM 0 HA GLN A 53 7.485 -14.622 0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.762 -13.338 1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.168 -12.356 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.030 -12.919 -1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.599 -13.699 -1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.096 -15.354 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.954 -16.644 -2.360 1.00 0.00 H new ATOM 378 N HIS A 54 6.396 -13.777 3.728 1.00 0.00 N ATOM 379 CA HIS A 54 6.788 -13.185 5.003 1.00 0.00 C ATOM 380 C HIS A 54 7.836 -14.042 5.706 1.00 0.00 C ATOM 381 O HIS A 54 8.809 -13.525 6.254 1.00 0.00 O ATOM 382 CB HIS A 54 5.566 -13.011 5.907 1.00 0.00 C ATOM 383 CG HIS A 54 5.888 -12.401 7.237 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.689 -13.019 8.174 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.517 -11.218 7.783 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.797 -12.244 9.238 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.095 -11.146 9.026 1.00 0.00 N ATOM 0 H HIS A 54 5.499 -14.261 3.746 1.00 0.00 H new ATOM 0 HA HIS A 54 7.224 -12.207 4.799 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.833 -12.386 5.397 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.100 -13.983 6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.885 -10.471 7.326 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.363 -12.470 10.130 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.998 -10.370 9.680 1.00 0.00 H new ATOM 396 N GLU A 55 7.628 -15.355 5.690 1.00 0.00 N ATOM 397 CA GLU A 55 8.552 -16.288 6.329 1.00 0.00 C ATOM 398 C GLU A 55 9.975 -16.111 5.804 1.00 0.00 C ATOM 399 O GLU A 55 10.940 -16.493 6.465 1.00 0.00 O ATOM 400 CB GLU A 55 8.089 -17.729 6.103 1.00 0.00 C ATOM 401 CG GLU A 55 7.215 -18.269 7.223 1.00 0.00 C ATOM 402 CD GLU A 55 5.798 -17.732 7.167 1.00 0.00 C ATOM 403 OE1 GLU A 55 5.628 -16.497 7.244 1.00 0.00 O ATOM 404 OE2 GLU A 55 4.859 -18.546 7.048 1.00 0.00 O ATOM 0 H GLU A 55 6.827 -15.798 5.241 1.00 0.00 H new ATOM 0 HA GLU A 55 8.556 -16.073 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.537 -17.782 5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.964 -18.370 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.190 -19.357 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.660 -18.010 8.184 1.00 0.00 H new ATOM 411 N PHE A 56 10.101 -15.536 4.613 1.00 0.00 N ATOM 412 CA PHE A 56 11.409 -15.318 4.005 1.00 0.00 C ATOM 413 C PHE A 56 11.928 -13.913 4.312 1.00 0.00 C ATOM 414 O PHE A 56 13.055 -13.746 4.774 1.00 0.00 O ATOM 415 CB PHE A 56 11.324 -15.544 2.487 1.00 0.00 C ATOM 416 CG PHE A 56 12.276 -14.704 1.677 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.642 -14.759 1.907 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.802 -13.858 0.687 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.515 -13.986 1.166 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.671 -13.084 -0.058 1.00 0.00 C ATOM 421 CZ PHE A 56 14.029 -13.148 0.182 1.00 0.00 C ATOM 0 H PHE A 56 9.314 -15.213 4.050 1.00 0.00 H new ATOM 0 HA PHE A 56 12.113 -16.033 4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.519 -16.596 2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.306 -15.337 2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.028 -15.414 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.741 -13.803 0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.577 -14.037 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.288 -12.430 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.710 -12.544 -0.399 1.00 0.00 H new ATOM 431 N VAL A 57 11.104 -12.910 4.038 1.00 0.00 N ATOM 432 CA VAL A 57 11.481 -11.519 4.266 1.00 0.00 C ATOM 433 C VAL A 57 11.585 -11.179 5.754 1.00 0.00 C ATOM 434 O VAL A 57 12.051 -10.097 6.112 1.00 0.00 O ATOM 435 CB VAL A 57 10.475 -10.556 3.603 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.096 -10.703 4.231 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.964 -9.116 3.697 1.00 0.00 C ATOM 0 H VAL A 57 10.166 -13.034 3.656 1.00 0.00 H new ATOM 0 HA VAL A 57 12.465 -11.394 3.815 1.00 0.00 H new ATOM 0 HB VAL A 57 10.396 -10.818 2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.401 -10.015 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.743 -11.726 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.154 -10.473 5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.239 -8.454 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.078 -8.838 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.925 -9.024 3.190 1.00 0.00 H new ATOM 447 N SER A 58 11.139 -12.085 6.620 1.00 0.00 N ATOM 448 CA SER A 58 11.181 -11.835 8.059 1.00 0.00 C ATOM 449 C SER A 58 12.009 -12.879 8.807 1.00 0.00 C ATOM 450 O SER A 58 12.631 -12.571 9.824 1.00 0.00 O ATOM 451 CB SER A 58 9.761 -11.801 8.626 1.00 0.00 C ATOM 452 OG SER A 58 9.649 -10.844 9.665 1.00 0.00 O ATOM 0 H SER A 58 10.748 -12.989 6.355 1.00 0.00 H new ATOM 0 HA SER A 58 11.664 -10.868 8.204 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.054 -11.563 7.831 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.494 -12.787 9.006 1.00 0.00 H new ATOM 0 HG SER A 58 9.088 -11.205 10.383 1.00 0.00 H new ATOM 458 N SER A 59 12.001 -14.114 8.320 1.00 0.00 N ATOM 459 CA SER A 59 12.741 -15.191 8.975 1.00 0.00 C ATOM 460 C SER A 59 14.073 -15.487 8.286 1.00 0.00 C ATOM 461 O SER A 59 14.888 -16.245 8.812 1.00 0.00 O ATOM 462 CB SER A 59 11.891 -16.461 9.022 1.00 0.00 C ATOM 463 OG SER A 59 10.512 -16.159 8.891 1.00 0.00 O ATOM 0 H SER A 59 11.495 -14.396 7.480 1.00 0.00 H new ATOM 0 HA SER A 59 12.964 -14.856 9.988 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.196 -17.136 8.222 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.064 -16.983 9.963 1.00 0.00 H new ATOM 0 HG SER A 59 9.991 -16.988 8.923 1.00 0.00 H new ATOM 469 N GLN A 60 14.295 -14.906 7.110 1.00 0.00 N ATOM 470 CA GLN A 60 15.537 -15.144 6.378 1.00 0.00 C ATOM 471 C GLN A 60 16.195 -13.839 5.935 1.00 0.00 C ATOM 472 O GLN A 60 17.311 -13.527 6.349 1.00 0.00 O ATOM 473 CB GLN A 60 15.268 -16.028 5.160 1.00 0.00 C ATOM 474 CG GLN A 60 14.518 -17.308 5.491 1.00 0.00 C ATOM 475 CD GLN A 60 15.367 -18.550 5.298 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.386 -19.141 4.218 1.00 0.00 O ATOM 477 NE2 GLN A 60 16.075 -18.951 6.347 1.00 0.00 N ATOM 0 H GLN A 60 13.641 -14.275 6.648 1.00 0.00 H new ATOM 0 HA GLN A 60 16.224 -15.651 7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.694 -15.459 4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.218 -16.284 4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.173 -17.265 6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.631 -17.378 4.861 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.029 -18.430 7.223 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.665 -19.780 6.277 1.00 0.00 H new ATOM 486 N ALA A 61 15.502 -13.089 5.081 1.00 0.00 N ATOM 487 CA ALA A 61 16.018 -11.823 4.563 1.00 0.00 C ATOM 488 C ALA A 61 16.708 -10.999 5.651 1.00 0.00 C ATOM 489 O ALA A 61 16.350 -11.080 6.826 1.00 0.00 O ATOM 490 CB ALA A 61 14.893 -11.019 3.928 1.00 0.00 C ATOM 0 H ALA A 61 14.577 -13.338 4.731 1.00 0.00 H new ATOM 0 HA ALA A 61 16.766 -12.058 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.289 -10.078 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.457 -11.589 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.126 -10.813 4.675 1.00 0.00 H new ATOM 496 N PRO A 62 17.713 -10.191 5.267 1.00 0.00 N ATOM 497 CA PRO A 62 18.459 -9.350 6.209 1.00 0.00 C ATOM 498 C PRO A 62 17.661 -8.131 6.658 1.00 0.00 C ATOM 499 O PRO A 62 16.702 -7.728 6.000 1.00 0.00 O ATOM 500 CB PRO A 62 19.680 -8.918 5.397 1.00 0.00 C ATOM 501 CG PRO A 62 19.211 -8.924 3.984 1.00 0.00 C ATOM 502 CD PRO A 62 18.204 -10.039 3.883 1.00 0.00 C ATOM 0 HA PRO A 62 18.703 -9.882 7.128 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.025 -7.928 5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.515 -9.604 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.761 -7.967 3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.042 -9.086 3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.396 -9.788 3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.660 -10.959 3.516 1.00 0.00 H new ATOM 510 N GLN A 63 18.064 -7.546 7.784 1.00 0.00 N ATOM 511 CA GLN A 63 17.386 -6.370 8.323 1.00 0.00 C ATOM 512 C GLN A 63 17.216 -5.295 7.253 1.00 0.00 C ATOM 513 O GLN A 63 16.258 -4.523 7.282 1.00 0.00 O ATOM 514 CB GLN A 63 18.166 -5.806 9.514 1.00 0.00 C ATOM 515 CG GLN A 63 19.510 -5.202 9.137 1.00 0.00 C ATOM 516 CD GLN A 63 20.667 -5.834 9.887 1.00 0.00 C ATOM 517 OE1 GLN A 63 21.131 -5.303 10.896 1.00 0.00 O ATOM 518 NE2 GLN A 63 21.138 -6.974 9.396 1.00 0.00 N ATOM 0 H GLN A 63 18.856 -7.867 8.340 1.00 0.00 H new ATOM 0 HA GLN A 63 16.396 -6.677 8.659 1.00 0.00 H new ATOM 0 HB2 GLN A 63 17.561 -5.044 10.005 1.00 0.00 H new ATOM 0 HB3 GLN A 63 18.327 -6.602 10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.669 -5.321 8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 63 19.492 -4.131 9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 63 20.722 -7.378 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 63 21.915 -7.446 9.858 1.00 0.00 H new ATOM 527 N SER A 64 18.150 -5.254 6.308 1.00 0.00 N ATOM 528 CA SER A 64 18.100 -4.276 5.228 1.00 0.00 C ATOM 529 C SER A 64 16.834 -4.456 4.398 1.00 0.00 C ATOM 530 O SER A 64 16.153 -3.486 4.065 1.00 0.00 O ATOM 531 CB SER A 64 19.334 -4.408 4.333 1.00 0.00 C ATOM 532 OG SER A 64 19.427 -5.710 3.781 1.00 0.00 O ATOM 0 H SER A 64 18.950 -5.886 6.269 1.00 0.00 H new ATOM 0 HA SER A 64 18.088 -3.280 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.285 -3.672 3.530 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.232 -4.190 4.912 1.00 0.00 H new ATOM 0 HG SER A 64 20.223 -5.768 3.212 1.00 0.00 H new ATOM 538 N LEU A 65 16.521 -5.706 4.072 1.00 0.00 N ATOM 539 CA LEU A 65 15.334 -6.018 3.286 1.00 0.00 C ATOM 540 C LEU A 65 14.068 -5.729 4.086 1.00 0.00 C ATOM 541 O LEU A 65 13.037 -5.359 3.525 1.00 0.00 O ATOM 542 CB LEU A 65 15.355 -7.485 2.851 1.00 0.00 C ATOM 543 CG LEU A 65 14.771 -7.759 1.464 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.329 -7.280 1.388 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.615 -7.091 0.390 1.00 0.00 C ATOM 0 H LEU A 65 17.074 -6.520 4.341 1.00 0.00 H new ATOM 0 HA LEU A 65 15.336 -5.386 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.386 -7.839 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.802 -8.073 3.584 1.00 0.00 H new ATOM 0 HG LEU A 65 14.784 -8.835 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.930 -7.483 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.731 -7.805 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.291 -6.208 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.185 -7.296 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.634 -6.014 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.631 -7.483 0.430 1.00 0.00 H new ATOM 557 N ARG A 66 14.157 -5.896 5.402 1.00 0.00 N ATOM 558 CA ARG A 66 13.021 -5.650 6.282 1.00 0.00 C ATOM 559 C ARG A 66 12.820 -4.154 6.496 1.00 0.00 C ATOM 560 O ARG A 66 11.692 -3.681 6.634 1.00 0.00 O ATOM 561 CB ARG A 66 13.228 -6.346 7.629 1.00 0.00 C ATOM 562 CG ARG A 66 13.726 -7.778 7.509 1.00 0.00 C ATOM 563 CD ARG A 66 14.471 -8.216 8.760 1.00 0.00 C ATOM 564 NE ARG A 66 13.765 -9.276 9.476 1.00 0.00 N ATOM 565 CZ ARG A 66 13.984 -9.582 10.752 1.00 0.00 C ATOM 566 NH1 ARG A 66 14.889 -8.913 11.457 1.00 0.00 N ATOM 567 NH2 ARG A 66 13.297 -10.560 11.327 1.00 0.00 N ATOM 0 H ARG A 66 15.004 -6.201 5.882 1.00 0.00 H new ATOM 0 HA ARG A 66 12.129 -6.058 5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.942 -5.771 8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.286 -6.343 8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.881 -8.445 7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.383 -7.864 6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.466 -8.565 8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.605 -7.359 9.421 1.00 0.00 H new ATOM 0 HE ARG A 66 13.063 -9.813 8.967 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.421 -8.160 11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.052 -9.152 12.435 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.601 -11.078 10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.465 -10.794 12.305 1.00 0.00 H new ATOM 581 N ASN A 67 13.924 -3.413 6.520 1.00 0.00 N ATOM 582 CA ASN A 67 13.871 -1.969 6.714 1.00 0.00 C ATOM 583 C ASN A 67 13.051 -1.305 5.613 1.00 0.00 C ATOM 584 O ASN A 67 12.212 -0.445 5.881 1.00 0.00 O ATOM 585 CB ASN A 67 15.285 -1.384 6.736 1.00 0.00 C ATOM 586 CG ASN A 67 15.926 -1.470 8.107 1.00 0.00 C ATOM 587 OD1 ASN A 67 17.012 -2.229 8.206 1.00 0.00 O flip ATOM 588 ND2 ASN A 67 15.452 -0.862 9.067 1.00 0.00 N flip ATOM 0 H ASN A 67 14.865 -3.789 6.408 1.00 0.00 H new ATOM 0 HA ASN A 67 13.390 -1.772 7.672 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.906 -1.915 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.249 -0.341 6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.616 -0.290 8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.895 -0.930 9.983 1.00 0.00 H new ATOM 595 N ARG A 68 13.298 -1.713 4.372 1.00 0.00 N ATOM 596 CA ARG A 68 12.582 -1.161 3.228 1.00 0.00 C ATOM 597 C ARG A 68 11.133 -1.639 3.211 1.00 0.00 C ATOM 598 O ARG A 68 10.249 -0.953 2.697 1.00 0.00 O ATOM 599 CB ARG A 68 13.278 -1.559 1.925 1.00 0.00 C ATOM 600 CG ARG A 68 13.383 -3.062 1.725 1.00 0.00 C ATOM 601 CD ARG A 68 13.719 -3.412 0.284 1.00 0.00 C ATOM 602 NE ARG A 68 12.566 -3.954 -0.431 1.00 0.00 N ATOM 603 CZ ARG A 68 12.474 -4.007 -1.758 1.00 0.00 C ATOM 604 NH1 ARG A 68 13.464 -3.553 -2.518 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.390 -4.516 -2.327 1.00 0.00 N ATOM 0 H ARG A 68 13.989 -2.424 4.133 1.00 0.00 H new ATOM 0 HA ARG A 68 12.586 -0.075 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.734 -1.126 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.279 -1.128 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.150 -3.465 2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.441 -3.534 2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.079 -2.521 -0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.531 -4.139 0.267 1.00 0.00 H new ATOM 0 HE ARG A 68 11.786 -4.313 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.300 -3.161 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.388 -3.596 -3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.627 -4.867 -1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.319 -4.557 -3.344 1.00 0.00 H new ATOM 619 N TYR A 69 10.896 -2.819 3.777 1.00 0.00 N ATOM 620 CA TYR A 69 9.554 -3.390 3.829 1.00 0.00 C ATOM 621 C TYR A 69 8.581 -2.432 4.510 1.00 0.00 C ATOM 622 O TYR A 69 7.481 -2.189 4.012 1.00 0.00 O ATOM 623 CB TYR A 69 9.577 -4.727 4.573 1.00 0.00 C ATOM 624 CG TYR A 69 8.227 -5.404 4.656 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.226 -4.902 5.478 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.955 -6.547 3.914 1.00 0.00 C ATOM 627 CE1 TYR A 69 5.992 -5.520 5.558 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.724 -7.169 3.989 1.00 0.00 C ATOM 629 CZ TYR A 69 5.746 -6.653 4.812 1.00 0.00 C ATOM 630 OH TYR A 69 4.519 -7.271 4.889 1.00 0.00 O ATOM 0 H TYR A 69 11.617 -3.399 4.207 1.00 0.00 H new ATOM 0 HA TYR A 69 9.215 -3.556 2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.279 -5.397 4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.954 -4.564 5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.415 -4.015 6.064 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.718 -6.956 3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.224 -5.117 6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.528 -8.056 3.405 1.00 0.00 H new ATOM 0 HH TYR A 69 3.829 -6.604 5.086 1.00 0.00 H new ATOM 640 N ASN A 70 8.995 -1.890 5.650 1.00 0.00 N ATOM 641 CA ASN A 70 8.162 -0.957 6.401 1.00 0.00 C ATOM 642 C ASN A 70 8.101 0.399 5.706 1.00 0.00 C ATOM 643 O ASN A 70 7.110 1.121 5.817 1.00 0.00 O ATOM 644 CB ASN A 70 8.700 -0.791 7.823 1.00 0.00 C ATOM 645 CG ASN A 70 8.240 -1.901 8.748 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.069 -1.969 9.120 1.00 0.00 O ATOM 647 ND2 ASN A 70 9.163 -2.778 9.125 1.00 0.00 N ATOM 0 H ASN A 70 9.903 -2.081 6.075 1.00 0.00 H new ATOM 0 HA ASN A 70 7.153 -1.366 6.448 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.790 -0.772 7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.374 0.169 8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.912 -3.546 9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.123 -2.683 8.792 1.00 0.00 H new ATOM 654 N ASN A 71 9.167 0.741 4.988 1.00 0.00 N ATOM 655 CA ASN A 71 9.234 2.011 4.274 1.00 0.00 C ATOM 656 C ASN A 71 8.079 2.142 3.286 1.00 0.00 C ATOM 657 O ASN A 71 7.214 3.005 3.437 1.00 0.00 O ATOM 658 CB ASN A 71 10.568 2.136 3.536 1.00 0.00 C ATOM 659 CG ASN A 71 11.649 2.758 4.398 1.00 0.00 C ATOM 660 OD1 ASN A 71 12.180 3.892 3.955 1.00 0.00 O flip ATOM 661 ND2 ASN A 71 12.004 2.225 5.449 1.00 0.00 N flip ATOM 0 H ASN A 71 9.996 0.156 4.886 1.00 0.00 H new ATOM 0 HA ASN A 71 9.155 2.815 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.892 1.149 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.429 2.740 2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.569 1.354 5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.734 2.655 6.018 1.00 0.00 H new ATOM 668 N LEU A 72 8.069 1.277 2.276 1.00 0.00 N ATOM 669 CA LEU A 72 7.017 1.296 1.265 1.00 0.00 C ATOM 670 C LEU A 72 5.640 1.225 1.917 1.00 0.00 C ATOM 671 O LEU A 72 4.707 1.912 1.500 1.00 0.00 O ATOM 672 CB LEU A 72 7.195 0.130 0.290 1.00 0.00 C ATOM 673 CG LEU A 72 7.136 -1.262 0.923 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.693 -1.729 1.056 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.948 -2.253 0.102 1.00 0.00 C ATOM 0 H LEU A 72 8.776 0.555 2.136 1.00 0.00 H new ATOM 0 HA LEU A 72 7.092 2.233 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.423 0.196 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.155 0.242 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 72 7.569 -1.206 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.672 -2.721 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.141 -1.031 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.231 -1.770 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.896 -3.238 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.544 -2.306 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.987 -1.926 0.061 1.00 0.00 H new ATOM 687 N TYR A 73 5.521 0.394 2.947 1.00 0.00 N ATOM 688 CA TYR A 73 4.258 0.243 3.656 1.00 0.00 C ATOM 689 C TYR A 73 3.923 1.507 4.438 1.00 0.00 C ATOM 690 O TYR A 73 2.753 1.838 4.630 1.00 0.00 O ATOM 691 CB TYR A 73 4.309 -0.960 4.600 1.00 0.00 C ATOM 692 CG TYR A 73 2.947 -1.401 5.089 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.852 -1.415 4.232 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.755 -1.799 6.405 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.606 -1.814 4.674 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.511 -2.201 6.854 1.00 0.00 C ATOM 697 CZ TYR A 73 0.440 -2.206 5.985 1.00 0.00 C ATOM 698 OH TYR A 73 -0.800 -2.605 6.429 1.00 0.00 O ATOM 0 H TYR A 73 6.281 -0.183 3.308 1.00 0.00 H new ATOM 0 HA TYR A 73 3.475 0.074 2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.790 -1.793 4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.932 -0.711 5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.978 -1.109 3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.591 -1.794 7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.234 -1.819 3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.378 -2.510 7.880 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.745 -2.850 7.376 1.00 0.00 H new ATOM 708 N SER A 74 4.957 2.219 4.881 1.00 0.00 N ATOM 709 CA SER A 74 4.763 3.454 5.632 1.00 0.00 C ATOM 710 C SER A 74 3.894 4.424 4.840 1.00 0.00 C ATOM 711 O SER A 74 3.071 5.144 5.404 1.00 0.00 O ATOM 712 CB SER A 74 6.112 4.101 5.959 1.00 0.00 C ATOM 713 OG SER A 74 6.566 4.910 4.888 1.00 0.00 O ATOM 0 H SER A 74 5.933 1.962 4.733 1.00 0.00 H new ATOM 0 HA SER A 74 4.258 3.213 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.019 4.706 6.861 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.848 3.326 6.170 1.00 0.00 H new ATOM 0 HG SER A 74 7.226 4.414 4.360 1.00 0.00 H new ATOM 719 N HIS A 75 4.079 4.423 3.524 1.00 0.00 N ATOM 720 CA HIS A 75 3.306 5.289 2.642 1.00 0.00 C ATOM 721 C HIS A 75 1.930 4.686 2.371 1.00 0.00 C ATOM 722 O HIS A 75 0.981 5.399 2.045 1.00 0.00 O ATOM 723 CB HIS A 75 4.052 5.507 1.323 1.00 0.00 C ATOM 724 CG HIS A 75 4.736 6.836 1.235 1.00 0.00 C ATOM 725 ND1 HIS A 75 4.416 7.786 0.288 1.00 0.00 N ATOM 726 CD2 HIS A 75 5.730 7.373 1.983 1.00 0.00 C ATOM 727 CE1 HIS A 75 5.182 8.849 0.457 1.00 0.00 C ATOM 728 NE2 HIS A 75 5.987 8.624 1.478 1.00 0.00 N ATOM 0 H HIS A 75 4.758 3.832 3.045 1.00 0.00 H new ATOM 0 HA HIS A 75 3.174 6.252 3.136 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.793 4.717 1.199 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.347 5.415 0.497 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.700 7.684 -0.431 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.227 6.905 2.820 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.154 9.749 -0.139 1.00 0.00 H new ATOM 737 N THR A 76 1.828 3.366 2.511 1.00 0.00 N ATOM 738 CA THR A 76 0.568 2.668 2.284 1.00 0.00 C ATOM 739 C THR A 76 -0.385 2.866 3.460 1.00 0.00 C ATOM 740 O THR A 76 -1.601 2.932 3.283 1.00 0.00 O ATOM 741 CB THR A 76 0.816 1.175 2.072 1.00 0.00 C ATOM 742 OG1 THR A 76 1.719 0.962 1.003 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.448 0.400 1.772 1.00 0.00 C ATOM 0 H THR A 76 2.603 2.760 2.780 1.00 0.00 H new ATOM 0 HA THR A 76 0.110 3.087 1.388 1.00 0.00 H new ATOM 0 HB THR A 76 1.231 0.812 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.611 1.275 1.261 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.204 -0.653 1.632 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.145 0.504 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.907 0.790 0.864 1.00 0.00 H new ATOM 751 N GLN A 77 0.176 2.950 4.661 1.00 0.00 N ATOM 752 CA GLN A 77 -0.623 3.132 5.867 1.00 0.00 C ATOM 753 C GLN A 77 -1.125 4.569 5.984 1.00 0.00 C ATOM 754 O GLN A 77 -2.197 4.817 6.537 1.00 0.00 O ATOM 755 CB GLN A 77 0.195 2.764 7.106 1.00 0.00 C ATOM 756 CG GLN A 77 1.484 3.557 7.241 1.00 0.00 C ATOM 757 CD GLN A 77 1.834 3.860 8.684 1.00 0.00 C ATOM 758 OE1 GLN A 77 2.059 2.952 9.485 1.00 0.00 O ATOM 759 NE2 GLN A 77 1.880 5.143 9.025 1.00 0.00 N ATOM 0 H GLN A 77 1.181 2.895 4.825 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.488 2.472 5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.415 2.924 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.434 1.701 7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.300 2.998 6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.390 4.493 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.687 5.863 8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.109 5.408 9.983 1.00 0.00 H new ATOM 768 N ARG A 78 -0.345 5.512 5.465 1.00 0.00 N ATOM 769 CA ARG A 78 -0.716 6.923 5.519 1.00 0.00 C ATOM 770 C ARG A 78 -1.626 7.299 4.353 1.00 0.00 C ATOM 771 O ARG A 78 -2.557 8.088 4.513 1.00 0.00 O ATOM 772 CB ARG A 78 0.535 7.806 5.513 1.00 0.00 C ATOM 773 CG ARG A 78 1.417 7.610 4.291 1.00 0.00 C ATOM 774 CD ARG A 78 1.218 8.720 3.270 1.00 0.00 C ATOM 775 NE ARG A 78 2.317 9.684 3.285 1.00 0.00 N ATOM 776 CZ ARG A 78 2.284 10.848 3.933 1.00 0.00 C ATOM 777 NH1 ARG A 78 1.212 11.202 4.633 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.330 11.661 3.884 1.00 0.00 N ATOM 0 H ARG A 78 0.545 5.326 5.003 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.263 7.088 6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.231 8.851 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.120 7.598 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.463 7.581 4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.193 6.648 3.831 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.131 8.285 2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.280 9.237 3.475 1.00 0.00 H new ATOM 0 HE ARG A 78 3.164 9.451 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.404 10.581 4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.197 12.095 5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.158 11.395 3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.307 12.552 4.379 1.00 0.00 H new ATOM 792 N THR A 79 -1.355 6.731 3.182 1.00 0.00 N ATOM 793 CA THR A 79 -2.157 7.013 1.996 1.00 0.00 C ATOM 794 C THR A 79 -3.604 6.573 2.204 1.00 0.00 C ATOM 795 O THR A 79 -4.538 7.303 1.872 1.00 0.00 O ATOM 796 CB THR A 79 -1.567 6.312 0.771 1.00 0.00 C ATOM 797 OG1 THR A 79 -2.225 6.731 -0.412 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.661 4.804 0.838 1.00 0.00 C ATOM 0 H THR A 79 -0.589 6.075 3.029 1.00 0.00 H new ATOM 0 HA THR A 79 -2.143 8.090 1.826 1.00 0.00 H new ATOM 0 HB THR A 79 -0.514 6.593 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.848 6.033 -0.704 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.224 4.372 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.119 4.444 1.713 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.707 4.508 0.912 1.00 0.00 H new ATOM 806 N LEU A 80 -3.781 5.377 2.758 1.00 0.00 N ATOM 807 CA LEU A 80 -5.116 4.845 3.013 1.00 0.00 C ATOM 808 C LEU A 80 -5.904 5.780 3.924 1.00 0.00 C ATOM 809 O LEU A 80 -7.062 6.095 3.654 1.00 0.00 O ATOM 810 CB LEU A 80 -5.027 3.456 3.649 1.00 0.00 C ATOM 811 CG LEU A 80 -4.451 2.360 2.752 1.00 0.00 C ATOM 812 CD1 LEU A 80 -4.046 1.151 3.581 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.461 1.964 1.690 1.00 0.00 C ATOM 0 H LEU A 80 -3.019 4.759 3.038 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.635 4.765 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.415 3.525 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.026 3.155 3.966 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.561 2.749 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.638 0.381 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.290 1.446 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.919 0.759 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.038 1.183 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.366 1.592 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.705 2.832 1.078 1.00 0.00 H new ATOM 825 N ASP A 81 -5.264 6.222 5.004 1.00 0.00 N ATOM 826 CA ASP A 81 -5.902 7.125 5.956 1.00 0.00 C ATOM 827 C ASP A 81 -6.419 8.374 5.250 1.00 0.00 C ATOM 828 O ASP A 81 -7.529 8.836 5.516 1.00 0.00 O ATOM 829 CB ASP A 81 -4.917 7.517 7.059 1.00 0.00 C ATOM 830 CG ASP A 81 -5.569 7.563 8.427 1.00 0.00 C ATOM 831 OD1 ASP A 81 -5.632 6.506 9.091 1.00 0.00 O ATOM 832 OD2 ASP A 81 -6.017 8.655 8.835 1.00 0.00 O ATOM 0 H ASP A 81 -4.305 5.969 5.241 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.748 6.605 6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.093 6.804 7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.489 8.493 6.830 1.00 0.00 H new ATOM 837 N MET A 82 -5.609 8.912 4.344 1.00 0.00 N ATOM 838 CA MET A 82 -5.987 10.102 3.594 1.00 0.00 C ATOM 839 C MET A 82 -7.129 9.792 2.632 1.00 0.00 C ATOM 840 O MET A 82 -7.940 10.661 2.314 1.00 0.00 O ATOM 841 CB MET A 82 -4.785 10.649 2.821 1.00 0.00 C ATOM 842 CG MET A 82 -3.805 11.422 3.688 1.00 0.00 C ATOM 843 SD MET A 82 -2.738 12.512 2.727 1.00 0.00 S ATOM 844 CE MET A 82 -1.786 11.316 1.793 1.00 0.00 C ATOM 0 H MET A 82 -4.687 8.542 4.112 1.00 0.00 H new ATOM 0 HA MET A 82 -6.325 10.858 4.303 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.261 9.820 2.346 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.142 11.299 2.023 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.359 12.013 4.417 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.189 10.719 4.249 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.997 11.829 1.243 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.341 10.592 2.476 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.440 10.799 1.091 1.00 0.00 H new ATOM 854 N ALA A 83 -7.187 8.544 2.175 1.00 0.00 N ATOM 855 CA ALA A 83 -8.232 8.117 1.253 1.00 0.00 C ATOM 856 C ALA A 83 -9.596 8.120 1.934 1.00 0.00 C ATOM 857 O ALA A 83 -10.550 8.711 1.429 1.00 0.00 O ATOM 858 CB ALA A 83 -7.918 6.734 0.703 1.00 0.00 C ATOM 0 H ALA A 83 -6.523 7.812 2.428 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.265 8.825 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.707 6.428 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.966 6.761 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.856 6.021 1.525 1.00 0.00 H new ATOM 864 N ASP A 84 -9.679 7.459 3.085 1.00 0.00 N ATOM 865 CA ASP A 84 -10.926 7.385 3.840 1.00 0.00 C ATOM 866 C ASP A 84 -11.065 8.576 4.786 1.00 0.00 C ATOM 867 O ASP A 84 -11.388 8.412 5.963 1.00 0.00 O ATOM 868 CB ASP A 84 -10.985 6.078 4.632 1.00 0.00 C ATOM 869 CG ASP A 84 -9.743 5.853 5.471 1.00 0.00 C ATOM 870 OD1 ASP A 84 -9.643 6.461 6.558 1.00 0.00 O ATOM 871 OD2 ASP A 84 -8.870 5.069 5.043 1.00 0.00 O ATOM 0 H ASP A 84 -8.897 6.966 3.516 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.754 7.413 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.861 6.089 5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.110 5.244 3.942 1.00 0.00 H new ATOM 876 N MET A 85 -10.819 9.774 4.265 1.00 0.00 N ATOM 877 CA MET A 85 -10.916 10.990 5.063 1.00 0.00 C ATOM 878 C MET A 85 -11.761 12.042 4.353 1.00 0.00 C ATOM 879 O MET A 85 -12.640 12.661 4.953 1.00 0.00 O ATOM 880 CB MET A 85 -9.520 11.547 5.345 1.00 0.00 C ATOM 881 CG MET A 85 -9.390 12.187 6.715 1.00 0.00 C ATOM 882 SD MET A 85 -9.012 10.987 8.006 1.00 0.00 S ATOM 883 CE MET A 85 -7.424 11.591 8.574 1.00 0.00 C ATOM 0 H MET A 85 -10.551 9.928 3.293 1.00 0.00 H new ATOM 0 HA MET A 85 -11.400 10.739 6.007 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.791 10.741 5.258 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.271 12.285 4.583 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.606 12.943 6.686 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.319 12.701 6.962 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.057 10.951 9.376 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.714 11.580 7.747 1.00 0.00 H new ATOM 0 HE3 MET A 85 -7.534 12.610 8.945 1.00 0.00 H new ATOM 893 N GLN A 86 -11.479 12.242 3.070 1.00 0.00 N ATOM 894 CA GLN A 86 -12.198 13.222 2.261 1.00 0.00 C ATOM 895 C GLN A 86 -13.711 13.035 2.356 1.00 0.00 C ATOM 896 O GLN A 86 -14.472 13.978 2.140 1.00 0.00 O ATOM 897 CB GLN A 86 -11.755 13.128 0.801 1.00 0.00 C ATOM 898 CG GLN A 86 -12.248 14.280 -0.059 1.00 0.00 C ATOM 899 CD GLN A 86 -11.880 15.634 0.516 1.00 0.00 C ATOM 900 OE1 GLN A 86 -10.731 16.067 0.429 1.00 0.00 O ATOM 901 NE2 GLN A 86 -12.858 16.310 1.107 1.00 0.00 N ATOM 0 H GLN A 86 -10.753 11.735 2.564 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.957 14.210 2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.666 13.096 0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.117 12.190 0.380 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.827 14.188 -1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.331 14.215 -0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.796 15.912 1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.671 17.227 1.512 1.00 0.00 H new ATOM 910 N HIS A 87 -14.145 11.819 2.678 1.00 0.00 N ATOM 911 CA HIS A 87 -15.572 11.529 2.796 1.00 0.00 C ATOM 912 C HIS A 87 -16.173 12.252 3.998 1.00 0.00 C ATOM 913 O HIS A 87 -16.519 11.631 5.001 1.00 0.00 O ATOM 914 CB HIS A 87 -15.808 10.024 2.931 1.00 0.00 C ATOM 915 CG HIS A 87 -14.995 9.191 1.993 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.754 8.690 2.319 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.258 8.754 0.739 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.289 7.982 1.307 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.182 8.003 0.335 1.00 0.00 N ATOM 0 H HIS A 87 -13.534 11.023 2.861 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.061 11.885 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.584 9.723 3.954 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.865 9.816 2.761 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -13.270 8.842 3.204 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.149 8.958 0.163 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.338 7.471 1.279 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.904 17.112 -0.387 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.592 16.980 -1.666 1.00 0.00 C ATOM 1112 C LEU A 101 -7.153 15.568 -1.840 1.00 0.00 C ATOM 1113 O LEU A 101 -6.477 14.585 -1.538 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.638 17.309 -2.815 1.00 0.00 C ATOM 1115 CG LEU A 101 -5.057 18.725 -2.785 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -3.535 18.686 -2.807 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -5.589 19.546 -3.952 1.00 0.00 C ATOM 0 HA LEU A 101 -7.423 17.685 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.815 16.594 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.166 17.169 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.371 19.202 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.145 19.703 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.172 18.139 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.197 18.187 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.165 20.549 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.308 19.069 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.675 19.608 -3.888 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.401 15.447 -2.330 1.00 0.00 N ATOM 1130 CA PRO A 102 -9.045 14.144 -2.537 1.00 0.00 C ATOM 1131 C PRO A 102 -8.230 13.219 -3.438 1.00 0.00 C ATOM 1132 O PRO A 102 -8.429 12.005 -3.434 1.00 0.00 O ATOM 1133 CB PRO A 102 -10.376 14.498 -3.206 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.632 15.916 -2.830 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.282 16.564 -2.717 1.00 0.00 C ATOM 0 HA PRO A 102 -9.154 13.601 -1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.317 14.381 -4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.178 13.847 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.243 16.415 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.175 15.978 -1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.971 17.013 -3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.278 17.357 -1.969 1.00 0.00 H new ATOM 1143 N HIS A 103 -7.318 13.796 -4.216 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.488 13.011 -5.123 1.00 0.00 C ATOM 1145 C HIS A 103 -5.109 12.724 -4.523 1.00 0.00 C ATOM 1146 O HIS A 103 -4.339 11.938 -5.073 1.00 0.00 O ATOM 1147 CB HIS A 103 -6.346 13.727 -6.471 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.361 14.856 -6.465 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -5.021 15.555 -5.325 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -4.640 15.408 -7.470 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -4.136 16.488 -5.630 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -3.888 16.419 -6.925 1.00 0.00 N ATOM 0 H HIS A 103 -7.136 14.799 -4.236 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.985 12.054 -5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.045 13.001 -7.226 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.321 14.112 -6.770 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.654 15.108 -8.508 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.691 17.188 -4.938 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.242 17.020 -7.438 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.799 13.359 -3.396 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.512 13.152 -2.740 1.00 0.00 C ATOM 1163 C GLU A 104 -3.381 11.714 -2.249 1.00 0.00 C ATOM 1164 O GLU A 104 -2.277 11.178 -2.147 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.350 14.117 -1.564 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.776 15.468 -1.958 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.272 15.536 -1.777 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.590 14.538 -2.091 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.776 16.589 -1.323 1.00 0.00 O ATOM 0 H GLU A 104 -5.417 14.017 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.726 13.346 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.321 14.268 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.701 13.660 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.023 15.674 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.246 16.248 -1.359 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.517 11.096 -1.943 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.536 9.720 -1.457 1.00 0.00 C ATOM 1178 C ASN A 105 -4.376 8.727 -2.604 1.00 0.00 C ATOM 1179 O ASN A 105 -3.522 7.841 -2.553 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.837 9.441 -0.701 1.00 0.00 C ATOM 1181 CG ASN A 105 -7.061 9.917 -1.457 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.626 9.189 -2.273 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.475 11.149 -1.187 1.00 0.00 N ATOM 0 H ASN A 105 -5.438 11.527 -2.023 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.693 9.594 -0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.923 8.370 -0.515 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.801 9.932 0.271 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.293 11.528 -1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.975 11.717 -0.503 1.00 0.00 H new ATOM 1190 N VAL A 106 -5.201 8.873 -3.637 1.00 0.00 N ATOM 1191 CA VAL A 106 -5.143 7.979 -4.788 1.00 0.00 C ATOM 1192 C VAL A 106 -3.757 7.996 -5.430 1.00 0.00 C ATOM 1193 O VAL A 106 -3.328 7.009 -6.026 1.00 0.00 O ATOM 1194 CB VAL A 106 -6.205 8.340 -5.847 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.598 8.311 -5.237 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.916 9.700 -6.470 1.00 0.00 C ATOM 0 H VAL A 106 -5.915 9.599 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.352 6.976 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.161 7.593 -6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.334 8.568 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.806 7.312 -4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.653 9.032 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.680 9.930 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.924 10.465 -5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.938 9.680 -6.950 1.00 0.00 H new ATOM 1206 N ASP A 107 -3.059 9.121 -5.298 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.720 9.256 -5.860 1.00 0.00 C ATOM 1208 C ASP A 107 -0.740 8.357 -5.115 1.00 0.00 C ATOM 1209 O ASP A 107 -0.091 7.496 -5.712 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.256 10.711 -5.785 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.355 11.090 -6.944 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -0.644 10.670 -8.083 1.00 0.00 O ATOM 1213 OD2 ASP A 107 0.641 11.808 -6.711 1.00 0.00 O ATOM 0 H ASP A 107 -3.398 9.949 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.752 8.951 -6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.126 11.367 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.725 10.872 -4.847 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.651 8.552 -3.803 1.00 0.00 N ATOM 1219 CA ASP A 108 0.236 7.749 -2.971 1.00 0.00 C ATOM 1220 C ASP A 108 -0.243 6.300 -2.926 1.00 0.00 C ATOM 1221 O ASP A 108 0.519 5.393 -2.591 1.00 0.00 O ATOM 1222 CB ASP A 108 0.304 8.325 -1.555 1.00 0.00 C ATOM 1223 CG ASP A 108 1.481 9.262 -1.368 1.00 0.00 C ATOM 1224 OD1 ASP A 108 1.760 10.057 -2.290 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.125 9.202 -0.299 1.00 0.00 O ATOM 0 H ASP A 108 -1.182 9.259 -3.294 1.00 0.00 H new ATOM 0 HA ASP A 108 1.234 7.774 -3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.621 8.860 -1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.375 7.508 -0.837 1.00 0.00 H new ATOM 1230 N MET A 109 -1.511 6.092 -3.270 1.00 0.00 N ATOM 1231 CA MET A 109 -2.096 4.758 -3.276 1.00 0.00 C ATOM 1232 C MET A 109 -1.345 3.844 -4.236 1.00 0.00 C ATOM 1233 O MET A 109 -0.700 2.882 -3.819 1.00 0.00 O ATOM 1234 CB MET A 109 -3.570 4.835 -3.678 1.00 0.00 C ATOM 1235 CG MET A 109 -4.448 3.819 -2.971 1.00 0.00 C ATOM 1236 SD MET A 109 -4.393 3.983 -1.178 1.00 0.00 S ATOM 1237 CE MET A 109 -5.815 5.033 -0.899 1.00 0.00 C ATOM 0 H MET A 109 -2.153 6.834 -3.549 1.00 0.00 H new ATOM 0 HA MET A 109 -2.018 4.344 -2.271 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.944 5.836 -3.465 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.652 4.687 -4.755 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.477 3.935 -3.311 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.131 2.814 -3.250 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.145 4.932 0.135 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.545 6.071 -1.094 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.623 4.737 -1.568 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.429 4.157 -5.525 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.752 3.370 -6.549 1.00 0.00 C ATOM 1249 C ARG A 110 0.744 3.289 -6.266 1.00 0.00 C ATOM 1250 O ARG A 110 1.410 2.331 -6.657 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.992 3.977 -7.932 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.491 5.407 -8.063 1.00 0.00 C ATOM 1253 CD ARG A 110 0.473 5.557 -9.229 1.00 0.00 C ATOM 1254 NE ARG A 110 -0.197 5.390 -10.516 1.00 0.00 N ATOM 1255 CZ ARG A 110 -1.019 6.293 -11.046 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -1.278 7.423 -10.400 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -1.584 6.066 -12.223 1.00 0.00 N ATOM 0 H ARG A 110 -1.959 4.950 -5.885 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.163 2.361 -6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.500 3.358 -8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.060 3.953 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.338 6.079 -8.202 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.005 5.706 -7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.941 6.541 -9.189 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.271 4.820 -9.137 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.025 4.531 -11.039 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.847 7.603 -9.493 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.909 8.112 -10.810 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.389 5.199 -12.723 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.214 6.758 -12.628 1.00 0.00 H new ATOM 1271 N SER A 111 1.265 4.301 -5.575 1.00 0.00 N ATOM 1272 CA SER A 111 2.681 4.342 -5.231 1.00 0.00 C ATOM 1273 C SER A 111 3.064 3.126 -4.394 1.00 0.00 C ATOM 1274 O SER A 111 4.172 2.603 -4.505 1.00 0.00 O ATOM 1275 CB SER A 111 3.003 5.626 -4.466 1.00 0.00 C ATOM 1276 OG SER A 111 3.551 6.610 -5.326 1.00 0.00 O ATOM 0 H SER A 111 0.727 5.102 -5.244 1.00 0.00 H new ATOM 0 HA SER A 111 3.260 4.326 -6.155 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.097 6.011 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.707 5.408 -3.663 1.00 0.00 H new ATOM 0 HG SER A 111 3.746 7.421 -4.812 1.00 0.00 H new ATOM 1282 N ALA A 112 2.134 2.681 -3.556 1.00 0.00 N ATOM 1283 CA ALA A 112 2.365 1.525 -2.700 1.00 0.00 C ATOM 1284 C ALA A 112 2.427 0.242 -3.520 1.00 0.00 C ATOM 1285 O ALA A 112 3.309 -0.593 -3.319 1.00 0.00 O ATOM 1286 CB ALA A 112 1.277 1.425 -1.641 1.00 0.00 C ATOM 0 H ALA A 112 1.212 3.105 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 112 3.327 1.657 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.463 0.557 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.281 2.327 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.306 1.320 -2.125 1.00 0.00 H new ATOM 1292 N ILE A 113 1.485 0.089 -4.446 1.00 0.00 N ATOM 1293 CA ILE A 113 1.435 -1.095 -5.295 1.00 0.00 C ATOM 1294 C ILE A 113 2.708 -1.226 -6.126 1.00 0.00 C ATOM 1295 O ILE A 113 3.177 -2.332 -6.385 1.00 0.00 O ATOM 1296 CB ILE A 113 0.193 -1.076 -6.219 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.505 -2.437 -6.197 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.561 -0.688 -7.646 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.488 -2.592 -5.057 1.00 0.00 C ATOM 0 H ILE A 113 0.747 0.770 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 113 1.357 -1.962 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.494 -0.319 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.030 -2.583 -7.141 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.248 -3.222 -6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.336 -0.685 -8.265 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.007 0.307 -7.649 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.276 -1.407 -8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.946 -3.580 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.965 -2.478 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.263 -1.829 -5.138 1.00 0.00 H new ATOM 1311 N THR A 114 3.268 -0.093 -6.536 1.00 0.00 N ATOM 1312 CA THR A 114 4.493 -0.099 -7.327 1.00 0.00 C ATOM 1313 C THR A 114 5.603 -0.807 -6.563 1.00 0.00 C ATOM 1314 O THR A 114 6.267 -1.699 -7.089 1.00 0.00 O ATOM 1315 CB THR A 114 4.920 1.328 -7.668 1.00 0.00 C ATOM 1316 OG1 THR A 114 5.423 1.989 -6.521 1.00 0.00 O ATOM 1317 CG2 THR A 114 3.795 2.170 -8.229 1.00 0.00 C ATOM 0 H THR A 114 2.896 0.835 -6.335 1.00 0.00 H new ATOM 0 HA THR A 114 4.302 -0.635 -8.257 1.00 0.00 H new ATOM 0 HB THR A 114 5.690 1.225 -8.432 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.680 2.389 -6.022 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.165 3.171 -8.450 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.419 1.712 -9.144 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.989 2.234 -7.498 1.00 0.00 H new ATOM 1325 N ASP A 115 5.784 -0.406 -5.311 1.00 0.00 N ATOM 1326 CA ASP A 115 6.799 -1.003 -4.454 1.00 0.00 C ATOM 1327 C ASP A 115 6.373 -2.401 -4.016 1.00 0.00 C ATOM 1328 O ASP A 115 7.157 -3.348 -4.078 1.00 0.00 O ATOM 1329 CB ASP A 115 7.043 -0.125 -3.226 1.00 0.00 C ATOM 1330 CG ASP A 115 8.500 -0.105 -2.809 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.212 -1.091 -3.092 1.00 0.00 O ATOM 1332 OD2 ASP A 115 8.929 0.896 -2.198 1.00 0.00 O ATOM 0 H ASP A 115 5.239 0.332 -4.866 1.00 0.00 H new ATOM 0 HA ASP A 115 7.725 -1.080 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.715 0.892 -3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.436 -0.488 -2.397 1.00 0.00 H new ATOM 1337 N TRP A 116 5.123 -2.522 -3.576 1.00 0.00 N ATOM 1338 CA TRP A 116 4.590 -3.805 -3.132 1.00 0.00 C ATOM 1339 C TRP A 116 4.638 -4.830 -4.259 1.00 0.00 C ATOM 1340 O TRP A 116 5.209 -5.910 -4.105 1.00 0.00 O ATOM 1341 CB TRP A 116 3.152 -3.641 -2.635 1.00 0.00 C ATOM 1342 CG TRP A 116 3.062 -3.306 -1.179 1.00 0.00 C ATOM 1343 CD1 TRP A 116 2.961 -2.060 -0.629 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.068 -4.229 -0.084 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.903 -2.152 0.739 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.966 -3.473 1.099 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.147 -5.621 0.012 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.943 -4.062 2.361 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.124 -6.205 1.264 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.022 -5.427 2.424 1.00 0.00 C ATOM 0 H TRP A 116 4.462 -1.748 -3.518 1.00 0.00 H new ATOM 0 HA TRP A 116 5.210 -4.164 -2.311 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.663 -2.856 -3.212 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.603 -4.564 -2.823 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.931 -1.137 -1.189 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.826 -1.365 1.383 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.225 -6.230 -0.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.866 -3.464 3.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.186 -7.280 1.350 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.005 -5.914 3.388 1.00 0.00 H new ATOM 1361 N SER A 117 4.039 -4.483 -5.396 1.00 0.00 N ATOM 1362 CA SER A 117 4.020 -5.375 -6.553 1.00 0.00 C ATOM 1363 C SER A 117 5.431 -5.833 -6.906 1.00 0.00 C ATOM 1364 O SER A 117 5.663 -7.010 -7.189 1.00 0.00 O ATOM 1365 CB SER A 117 3.384 -4.674 -7.756 1.00 0.00 C ATOM 1366 OG SER A 117 2.049 -4.292 -7.476 1.00 0.00 O ATOM 0 H SER A 117 3.562 -3.593 -5.541 1.00 0.00 H new ATOM 0 HA SER A 117 3.424 -6.251 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.970 -3.793 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.402 -5.339 -8.620 1.00 0.00 H new ATOM 0 HG SER A 117 2.018 -3.332 -7.280 1.00 0.00 H new ATOM 1372 N ASP A 118 6.373 -4.895 -6.881 1.00 0.00 N ATOM 1373 CA ASP A 118 7.765 -5.202 -7.191 1.00 0.00 C ATOM 1374 C ASP A 118 8.314 -6.240 -6.220 1.00 0.00 C ATOM 1375 O ASP A 118 9.082 -7.121 -6.605 1.00 0.00 O ATOM 1376 CB ASP A 118 8.617 -3.933 -7.135 1.00 0.00 C ATOM 1377 CG ASP A 118 9.720 -3.930 -8.175 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.180 -5.028 -8.555 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.125 -2.831 -8.609 1.00 0.00 O ATOM 0 H ASP A 118 6.198 -3.917 -6.650 1.00 0.00 H new ATOM 0 HA ASP A 118 7.807 -5.611 -8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 118 7.978 -3.063 -7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.057 -3.838 -6.142 1.00 0.00 H new ATOM 1384 N MET A 119 7.909 -6.131 -4.958 1.00 0.00 N ATOM 1385 CA MET A 119 8.357 -7.064 -3.932 1.00 0.00 C ATOM 1386 C MET A 119 7.876 -8.475 -4.246 1.00 0.00 C ATOM 1387 O MET A 119 8.584 -9.451 -4.007 1.00 0.00 O ATOM 1388 CB MET A 119 7.847 -6.632 -2.556 1.00 0.00 C ATOM 1389 CG MET A 119 8.594 -7.281 -1.402 1.00 0.00 C ATOM 1390 SD MET A 119 8.342 -6.421 0.162 1.00 0.00 S ATOM 1391 CE MET A 119 10.026 -5.981 0.581 1.00 0.00 C ATOM 0 H MET A 119 7.273 -5.407 -4.623 1.00 0.00 H new ATOM 0 HA MET A 119 9.447 -7.060 -3.920 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.931 -5.549 -2.470 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.788 -6.877 -2.476 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.267 -8.316 -1.299 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.659 -7.304 -1.632 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.294 -6.436 1.535 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.700 -6.342 -0.196 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.110 -4.897 0.659 1.00 0.00 H new ATOM 1401 N ARG A 120 6.667 -8.576 -4.789 1.00 0.00 N ATOM 1402 CA ARG A 120 6.097 -9.871 -5.141 1.00 0.00 C ATOM 1403 C ARG A 120 7.035 -10.638 -6.068 1.00 0.00 C ATOM 1404 O ARG A 120 7.254 -11.837 -5.894 1.00 0.00 O ATOM 1405 CB ARG A 120 4.734 -9.687 -5.811 1.00 0.00 C ATOM 1406 CG ARG A 120 3.694 -10.702 -5.365 1.00 0.00 C ATOM 1407 CD ARG A 120 2.282 -10.194 -5.606 1.00 0.00 C ATOM 1408 NE ARG A 120 1.292 -10.945 -4.839 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.044 -10.530 -4.633 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.369 -9.373 -5.135 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.794 -11.275 -3.925 1.00 0.00 N ATOM 0 H ARG A 120 6.065 -7.779 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 120 5.966 -10.447 -4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.366 -8.684 -5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.857 -9.757 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.842 -11.638 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.828 -10.920 -4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.225 -9.139 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.048 -10.265 -6.668 1.00 0.00 H new ATOM 0 HE ARG A 120 1.573 -11.840 -4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.271 -8.797 -5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.326 -9.060 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.482 -12.166 -3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.750 -10.957 -3.767 1.00 0.00 H new ATOM 1425 N GLU A 121 7.589 -9.936 -7.050 1.00 0.00 N ATOM 1426 CA GLU A 121 8.506 -10.547 -8.004 1.00 0.00 C ATOM 1427 C GLU A 121 9.911 -10.657 -7.419 1.00 0.00 C ATOM 1428 O GLU A 121 10.543 -11.711 -7.491 1.00 0.00 O ATOM 1429 CB GLU A 121 8.543 -9.733 -9.299 1.00 0.00 C ATOM 1430 CG GLU A 121 7.210 -9.689 -10.028 1.00 0.00 C ATOM 1431 CD GLU A 121 6.880 -10.997 -10.719 1.00 0.00 C ATOM 1432 OE1 GLU A 121 7.623 -11.383 -11.646 1.00 0.00 O ATOM 1433 OE2 GLU A 121 5.880 -11.637 -10.333 1.00 0.00 O ATOM 0 H GLU A 121 7.419 -8.943 -7.206 1.00 0.00 H new ATOM 0 HA GLU A 121 8.145 -11.552 -8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.856 -8.714 -9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.297 -10.156 -9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.419 -9.448 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.230 -8.887 -10.766 1.00 0.00 H new ATOM 1440 N ALA A 122 10.395 -9.561 -6.843 1.00 0.00 N ATOM 1441 CA ALA A 122 11.727 -9.533 -6.248 1.00 0.00 C ATOM 1442 C ALA A 122 11.832 -10.506 -5.078 1.00 0.00 C ATOM 1443 O ALA A 122 12.657 -11.420 -5.089 1.00 0.00 O ATOM 1444 CB ALA A 122 12.072 -8.122 -5.794 1.00 0.00 C ATOM 0 H ALA A 122 9.885 -8.680 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 122 12.442 -9.846 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 122 13.068 -8.115 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.051 -7.449 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.344 -7.790 -5.053 1.00 0.00 H new ATOM 1450 N LEU A 123 10.991 -10.302 -4.068 1.00 0.00 N ATOM 1451 CA LEU A 123 10.986 -11.159 -2.886 1.00 0.00 C ATOM 1452 C LEU A 123 10.856 -12.630 -3.273 1.00 0.00 C ATOM 1453 O LEU A 123 11.483 -13.498 -2.665 1.00 0.00 O ATOM 1454 CB LEU A 123 9.842 -10.761 -1.950 1.00 0.00 C ATOM 1455 CG LEU A 123 10.114 -10.980 -0.461 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.244 -10.078 0.013 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.851 -10.732 0.352 1.00 0.00 C ATOM 0 H LEU A 123 10.303 -9.549 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 123 11.936 -11.025 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.612 -9.708 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.953 -11.327 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 123 10.419 -12.016 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.424 -10.247 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 123 12.150 -10.304 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.969 -9.035 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.062 -10.892 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.516 -9.706 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.070 -11.420 0.029 1.00 0.00 H new ATOM 1469 N GLN A 124 10.042 -12.903 -4.288 1.00 0.00 N ATOM 1470 CA GLN A 124 9.836 -14.270 -4.753 1.00 0.00 C ATOM 1471 C GLN A 124 11.137 -14.865 -5.284 1.00 0.00 C ATOM 1472 O GLN A 124 11.500 -15.991 -4.946 1.00 0.00 O ATOM 1473 CB GLN A 124 8.765 -14.306 -5.844 1.00 0.00 C ATOM 1474 CG GLN A 124 7.357 -14.503 -5.307 1.00 0.00 C ATOM 1475 CD GLN A 124 6.300 -14.380 -6.387 1.00 0.00 C ATOM 1476 OE1 GLN A 124 6.541 -14.711 -7.548 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.120 -13.901 -6.010 1.00 0.00 N ATOM 0 H GLN A 124 9.515 -12.197 -4.803 1.00 0.00 H new ATOM 0 HA GLN A 124 9.501 -14.868 -3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.802 -13.375 -6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.995 -15.112 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.284 -15.486 -4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.163 -13.766 -4.528 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.963 -13.639 -5.037 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.370 -13.795 -6.694 1.00 0.00 H new ATOM 1486 N HIS A 125 11.833 -14.100 -6.119 1.00 0.00 N ATOM 1487 CA HIS A 125 13.094 -14.550 -6.699 1.00 0.00 C ATOM 1488 C HIS A 125 14.117 -14.853 -5.609 1.00 0.00 C ATOM 1489 O HIS A 125 14.713 -15.930 -5.585 1.00 0.00 O ATOM 1490 CB HIS A 125 13.647 -13.491 -7.654 1.00 0.00 C ATOM 1491 CG HIS A 125 14.908 -13.909 -8.345 1.00 0.00 C ATOM 1492 ND1 HIS A 125 15.578 -15.086 -8.330 1.00 0.00 N flip ATOM 1493 CD2 HIS A 125 15.628 -13.071 -9.169 1.00 0.00 C flip ATOM 1494 CE1 HIS A 125 16.679 -14.937 -9.137 1.00 0.00 C flip ATOM 1495 NE2 HIS A 125 16.686 -13.713 -9.632 1.00 0.00 N flip ATOM 0 H HIS A 125 11.545 -13.165 -6.409 1.00 0.00 H new ATOM 0 HA HIS A 125 12.902 -15.467 -7.256 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.891 -13.259 -8.404 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.835 -12.573 -7.097 1.00 0.00 H new ATOM 0 HD1 HIS A 125 15.314 -15.926 -7.815 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.368 -12.049 -9.400 1.00 0.00 H new ATOM 0 HE1 HIS A 125 17.419 -15.698 -9.335 1.00 0.00 H new ATOM 1504 N ALA A 126 14.314 -13.897 -4.707 1.00 0.00 N ATOM 1505 CA ALA A 126 15.263 -14.064 -3.613 1.00 0.00 C ATOM 1506 C ALA A 126 14.883 -15.254 -2.740 1.00 0.00 C ATOM 1507 O ALA A 126 15.747 -15.935 -2.189 1.00 0.00 O ATOM 1508 CB ALA A 126 15.335 -12.794 -2.777 1.00 0.00 C ATOM 0 H ALA A 126 13.829 -12.999 -4.712 1.00 0.00 H new ATOM 0 HA ALA A 126 16.246 -14.258 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 126 16.047 -12.934 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.658 -11.963 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.351 -12.574 -2.363 1.00 0.00 H new ATOM 1514 N MET A 127 13.582 -15.499 -2.622 1.00 0.00 N ATOM 1515 CA MET A 127 13.083 -16.609 -1.819 1.00 0.00 C ATOM 1516 C MET A 127 13.552 -17.942 -2.391 1.00 0.00 C ATOM 1517 O MET A 127 14.028 -18.811 -1.660 1.00 0.00 O ATOM 1518 CB MET A 127 11.554 -16.577 -1.766 1.00 0.00 C ATOM 1519 CG MET A 127 10.973 -17.274 -0.547 1.00 0.00 C ATOM 1520 SD MET A 127 9.319 -17.929 -0.843 1.00 0.00 S ATOM 1521 CE MET A 127 8.356 -16.419 -0.866 1.00 0.00 C ATOM 0 H MET A 127 12.854 -14.944 -3.072 1.00 0.00 H new ATOM 0 HA MET A 127 13.479 -16.505 -0.809 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.220 -15.539 -1.774 1.00 0.00 H new ATOM 0 HB3 MET A 127 11.158 -17.047 -2.666 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.634 -18.088 -0.250 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.938 -16.572 0.286 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.497 -16.525 -0.203 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.975 -15.588 -0.528 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.009 -16.224 -1.881 1.00 0.00 H new ATOM 1531 N GLY A 128 13.414 -18.094 -3.703 1.00 0.00 N ATOM 1532 CA GLY A 128 13.827 -19.321 -4.357 1.00 0.00 C ATOM 1533 C GLY A 128 13.010 -19.619 -5.600 1.00 0.00 C ATOM 1534 O GLY A 128 12.637 -20.766 -5.845 1.00 0.00 O ATOM 0 H GLY A 128 13.023 -17.388 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.880 -19.248 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.734 -20.151 -3.657 1.00 0.00 H new ATOM 1538 N ILE A 129 12.732 -18.583 -6.385 1.00 0.00 N ATOM 1539 CA ILE A 129 11.955 -18.738 -7.608 1.00 0.00 C ATOM 1540 C ILE A 129 12.647 -18.064 -8.788 1.00 0.00 C ATOM 1541 O ILE A 129 13.483 -17.179 -8.607 1.00 0.00 O ATOM 1542 CB ILE A 129 10.540 -18.149 -7.455 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.894 -18.643 -6.159 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.681 -18.517 -8.655 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.678 -17.842 -5.747 1.00 0.00 C ATOM 0 H ILE A 129 13.034 -17.627 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 129 11.876 -19.809 -7.798 1.00 0.00 H new ATOM 0 HB ILE A 129 10.618 -17.063 -7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.607 -19.687 -6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.632 -18.606 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.684 -18.094 -8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.135 -18.120 -9.563 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.608 -19.602 -8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.272 -18.248 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.963 -16.801 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.922 -17.899 -6.530 1.00 0.00 H new