USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 714 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 17 HIS : no HE2:sc= -11.6! C(o=-12!,f=-12!) USER MOD Set 1.2: A 30 TYR OH : rot 165:sc= -0.706 USER MOD Set 2.1: A 6 ASN : amide:sc= -0.116 X(o=-0.96,f=-0.85) USER MOD Set 2.2: A 9 GLN : amide:sc= -0.848 K(o=-0.96,f=-4.5!) USER MOD Single : A 1 LYS N :NH3+ -154:sc= 0.0338 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 29:sc= 0.772 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0953 X(o=-0.095,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.286 USER MOD Single : A 33 ASN : amide:sc= -2.84! C(o=-2.8!,f=-6!) USER MOD Single : A 40 CYS SG : rot 52:sc= -0.594 USER MOD Single : A 42 THR OG1 : rot -133:sc= 1.22 USER MOD Single : A 47 TYR OH : rot -64:sc= -7.47! USER MOD Single : A 55 GLN :FLIP amide:sc= 0.681 F(o=-1.3,f=0.68) USER MOD Single : A 58 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.018) USER MOD Single : A 59 SER OG : rot 56:sc= 0.267 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.715 K(o=-0.72,f=-3.9!) USER MOD Single : A 63 THR OG1 : rot -55:sc= -2.05! USER MOD Single : A 65 ASN :FLIP amide:sc= -0.64 F(o=-3.2,f=-0.64) USER MOD Single : A 69 SER OG : rot 141:sc= -6.78! USER MOD Single : A 72 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.4) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -121:sc= -1.47 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.303 3.994 7.997 1.00 0.00 N ATOM 2 CA LYS A 1 -7.173 3.829 8.955 1.00 0.00 C ATOM 3 C LYS A 1 -5.923 4.507 8.392 1.00 0.00 C ATOM 4 O LYS A 1 -5.977 5.207 7.399 1.00 0.00 O ATOM 5 CB LYS A 1 -6.896 2.339 9.164 1.00 0.00 C ATOM 6 CG LYS A 1 -6.885 2.027 10.662 1.00 0.00 C ATOM 7 CD LYS A 1 -6.798 0.514 10.868 1.00 0.00 C ATOM 8 CE LYS A 1 -8.126 -0.003 11.427 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.863 -1.117 12.381 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.205 3.950 8.513 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.222 4.914 7.519 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.272 3.233 7.289 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.435 4.287 9.909 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.659 1.743 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.938 2.070 8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.038 2.519 11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.788 2.417 11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.572 0.020 9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.985 0.276 11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.659 0.803 11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.765 -0.349 10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.765 -1.469 12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.371 -1.889 11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.269 -0.772 13.162 1.00 0.00 H new ATOM 25 N LYS A 2 -4.798 4.315 9.023 1.00 0.00 N ATOM 26 CA LYS A 2 -3.552 4.955 8.527 1.00 0.00 C ATOM 27 C LYS A 2 -2.539 3.874 8.124 1.00 0.00 C ATOM 28 O LYS A 2 -2.497 2.801 8.691 1.00 0.00 O ATOM 29 CB LYS A 2 -2.991 5.866 9.635 1.00 0.00 C ATOM 30 CG LYS A 2 -1.708 5.289 10.247 1.00 0.00 C ATOM 31 CD LYS A 2 -1.063 6.333 11.159 1.00 0.00 C ATOM 32 CE LYS A 2 -0.077 7.178 10.351 1.00 0.00 C ATOM 33 NZ LYS A 2 0.589 8.162 11.250 1.00 0.00 N ATOM 0 H LYS A 2 -4.690 3.742 9.860 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.759 5.561 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.786 6.855 9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.741 5.994 10.415 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.937 4.387 10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.013 5.001 9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.830 6.971 11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.546 5.842 11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.668 6.536 9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.600 7.699 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.259 8.736 10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.128 8.782 11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.101 7.656 12.000 1.00 0.00 H new ATOM 47 N ALA A 3 -1.724 4.160 7.148 1.00 0.00 N ATOM 48 CA ALA A 3 -0.708 3.165 6.700 1.00 0.00 C ATOM 49 C ALA A 3 0.670 3.832 6.618 1.00 0.00 C ATOM 50 O ALA A 3 0.785 5.041 6.548 1.00 0.00 O ATOM 51 CB ALA A 3 -1.095 2.625 5.322 1.00 0.00 C ATOM 0 H ALA A 3 -1.717 5.044 6.639 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.669 2.344 7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.352 1.898 4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.072 2.145 5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.137 3.447 4.608 1.00 0.00 H new ATOM 57 N VAL A 4 1.715 3.048 6.628 1.00 0.00 N ATOM 58 CA VAL A 4 3.090 3.620 6.555 1.00 0.00 C ATOM 59 C VAL A 4 4.007 2.636 5.827 1.00 0.00 C ATOM 60 O VAL A 4 4.107 1.483 6.194 1.00 0.00 O ATOM 61 CB VAL A 4 3.620 3.845 7.972 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.060 4.362 7.907 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.736 4.869 8.686 1.00 0.00 C ATOM 0 H VAL A 4 1.674 2.030 6.684 1.00 0.00 H new ATOM 0 HA VAL A 4 3.064 4.568 6.017 1.00 0.00 H new ATOM 0 HB VAL A 4 3.603 2.904 8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.435 4.522 8.918 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.687 3.630 7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.084 5.303 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.111 5.032 9.696 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.753 5.810 8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.713 4.496 8.734 1.00 0.00 H new ATOM 73 N ILE A 5 4.677 3.076 4.798 1.00 0.00 N ATOM 74 CA ILE A 5 5.580 2.149 4.060 1.00 0.00 C ATOM 75 C ILE A 5 7.036 2.453 4.407 1.00 0.00 C ATOM 76 O ILE A 5 7.659 3.318 3.827 1.00 0.00 O ATOM 77 CB ILE A 5 5.371 2.314 2.559 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.854 2.321 2.276 1.00 0.00 C ATOM 79 CG2 ILE A 5 6.080 1.162 1.833 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.470 1.264 1.231 1.00 0.00 C ATOM 0 H ILE A 5 4.639 4.030 4.438 1.00 0.00 H new ATOM 0 HA ILE A 5 5.348 1.124 4.349 1.00 0.00 H new ATOM 0 HB ILE A 5 5.793 3.252 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.310 2.133 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.553 3.308 1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.938 1.268 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.145 1.188 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.661 0.211 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.394 1.298 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.995 1.468 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.747 0.275 1.595 1.00 0.00 H new ATOM 92 N ASN A 6 7.584 1.738 5.344 1.00 0.00 N ATOM 93 CA ASN A 6 8.997 1.971 5.728 1.00 0.00 C ATOM 94 C ASN A 6 9.910 1.287 4.707 1.00 0.00 C ATOM 95 O ASN A 6 10.184 0.107 4.797 1.00 0.00 O ATOM 96 CB ASN A 6 9.229 1.378 7.116 1.00 0.00 C ATOM 97 CG ASN A 6 8.338 2.095 8.132 1.00 0.00 C ATOM 98 OD1 ASN A 6 7.626 1.462 8.886 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.346 3.399 8.185 1.00 0.00 N ATOM 0 H ASN A 6 7.110 0.998 5.863 1.00 0.00 H new ATOM 0 HA ASN A 6 9.217 3.038 5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.006 0.311 7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.277 1.483 7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.755 3.886 8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.943 3.931 7.553 1.00 0.00 H new ATOM 106 N GLY A 7 10.372 2.018 3.728 1.00 0.00 N ATOM 107 CA GLY A 7 11.255 1.412 2.688 1.00 0.00 C ATOM 108 C GLY A 7 12.516 0.838 3.336 1.00 0.00 C ATOM 109 O GLY A 7 12.931 -0.264 3.035 1.00 0.00 O ATOM 0 H GLY A 7 10.176 3.011 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.718 0.625 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.528 2.165 1.948 1.00 0.00 H new ATOM 113 N GLU A 8 13.135 1.574 4.216 1.00 0.00 N ATOM 114 CA GLU A 8 14.374 1.066 4.872 1.00 0.00 C ATOM 115 C GLU A 8 14.145 -0.359 5.383 1.00 0.00 C ATOM 116 O GLU A 8 15.078 -1.108 5.592 1.00 0.00 O ATOM 117 CB GLU A 8 14.740 1.976 6.047 1.00 0.00 C ATOM 118 CG GLU A 8 13.474 2.350 6.819 1.00 0.00 C ATOM 119 CD GLU A 8 13.072 3.786 6.477 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.959 4.584 6.224 1.00 0.00 O ATOM 121 OE2 GLU A 8 11.884 4.062 6.474 1.00 0.00 O ATOM 0 H GLU A 8 12.838 2.504 4.510 1.00 0.00 H new ATOM 0 HA GLU A 8 15.187 1.061 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.444 1.469 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.235 2.876 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.665 1.665 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.648 2.255 7.891 1.00 0.00 H new ATOM 128 N GLN A 9 12.914 -0.737 5.598 1.00 0.00 N ATOM 129 CA GLN A 9 12.636 -2.108 6.107 1.00 0.00 C ATOM 130 C GLN A 9 12.239 -3.034 4.954 1.00 0.00 C ATOM 131 O GLN A 9 12.638 -4.180 4.905 1.00 0.00 O ATOM 132 CB GLN A 9 11.495 -2.036 7.119 1.00 0.00 C ATOM 133 CG GLN A 9 11.899 -1.119 8.274 1.00 0.00 C ATOM 134 CD GLN A 9 10.768 -1.063 9.303 1.00 0.00 C ATOM 135 OE1 GLN A 9 9.617 -0.897 8.950 1.00 0.00 O ATOM 136 NE2 GLN A 9 11.049 -1.195 10.571 1.00 0.00 N ATOM 0 H GLN A 9 12.090 -0.156 5.443 1.00 0.00 H new ATOM 0 HA GLN A 9 13.534 -2.506 6.580 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.592 -1.659 6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.264 -3.033 7.495 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.812 -1.487 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.114 -0.118 7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.015 -1.334 10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.303 -1.159 11.265 1.00 0.00 H new ATOM 145 N ILE A 10 11.443 -2.554 4.038 1.00 0.00 N ATOM 146 CA ILE A 10 11.007 -3.414 2.902 1.00 0.00 C ATOM 147 C ILE A 10 12.175 -4.253 2.389 1.00 0.00 C ATOM 148 O ILE A 10 13.233 -3.748 2.072 1.00 0.00 O ATOM 149 CB ILE A 10 10.476 -2.550 1.757 1.00 0.00 C ATOM 150 CG1 ILE A 10 9.138 -1.941 2.160 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.272 -3.423 0.515 1.00 0.00 C ATOM 152 CD1 ILE A 10 8.091 -3.044 2.243 1.00 0.00 C ATOM 0 H ILE A 10 11.076 -1.603 4.027 1.00 0.00 H new ATOM 0 HA ILE A 10 10.217 -4.073 3.260 1.00 0.00 H new ATOM 0 HB ILE A 10 11.192 -1.757 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.229 -1.437 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.834 -1.188 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.894 -2.810 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.223 -3.869 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.554 -4.212 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.132 -2.614 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.995 -3.528 1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.396 -3.780 2.986 1.00 0.00 H new ATOM 164 N ARG A 11 11.971 -5.533 2.288 1.00 0.00 N ATOM 165 CA ARG A 11 13.035 -6.430 1.777 1.00 0.00 C ATOM 166 C ARG A 11 12.598 -6.985 0.419 1.00 0.00 C ATOM 167 O ARG A 11 13.347 -7.657 -0.262 1.00 0.00 O ATOM 168 CB ARG A 11 13.232 -7.579 2.763 1.00 0.00 C ATOM 169 CG ARG A 11 14.167 -7.131 3.885 1.00 0.00 C ATOM 170 CD ARG A 11 14.367 -8.279 4.876 1.00 0.00 C ATOM 171 NE ARG A 11 15.327 -7.858 5.935 1.00 0.00 N ATOM 172 CZ ARG A 11 15.430 -8.548 7.040 1.00 0.00 C ATOM 173 NH1 ARG A 11 14.645 -9.570 7.251 1.00 0.00 N ATOM 174 NH2 ARG A 11 16.319 -8.214 7.935 1.00 0.00 N ATOM 0 H ARG A 11 11.101 -6.000 2.541 1.00 0.00 H new ATOM 0 HA ARG A 11 13.972 -5.884 1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.271 -7.887 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.650 -8.445 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.127 -6.823 3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.748 -6.264 4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.413 -8.557 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.744 -9.160 4.357 1.00 0.00 H new ATOM 0 HE ARG A 11 15.905 -7.029 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.949 -9.831 6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.728 -10.107 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.932 -7.415 7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.401 -8.751 8.798 1.00 0.00 H new ATOM 188 N SER A 12 11.382 -6.706 0.023 1.00 0.00 N ATOM 189 CA SER A 12 10.882 -7.209 -1.285 1.00 0.00 C ATOM 190 C SER A 12 9.419 -6.788 -1.462 1.00 0.00 C ATOM 191 O SER A 12 8.758 -6.374 -0.523 1.00 0.00 O ATOM 192 CB SER A 12 10.980 -8.734 -1.317 1.00 0.00 C ATOM 193 OG SER A 12 12.282 -9.112 -1.747 1.00 0.00 O ATOM 0 H SER A 12 10.713 -6.148 0.555 1.00 0.00 H new ATOM 0 HA SER A 12 11.484 -6.791 -2.092 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.778 -9.144 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.228 -9.144 -1.991 1.00 0.00 H new ATOM 0 HG SER A 12 12.927 -8.422 -1.484 1.00 0.00 H new ATOM 199 N ILE A 13 8.902 -6.889 -2.654 1.00 0.00 N ATOM 200 CA ILE A 13 7.486 -6.495 -2.873 1.00 0.00 C ATOM 201 C ILE A 13 6.619 -7.172 -1.813 1.00 0.00 C ATOM 202 O ILE A 13 5.795 -6.544 -1.180 1.00 0.00 O ATOM 203 CB ILE A 13 7.034 -6.931 -4.268 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.660 -6.331 -4.581 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.939 -8.456 -4.314 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.610 -4.862 -4.140 1.00 0.00 C ATOM 0 H ILE A 13 9.396 -7.225 -3.481 1.00 0.00 H new ATOM 0 HA ILE A 13 7.388 -5.412 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 13 7.757 -6.582 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.458 -6.405 -5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.882 -6.898 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.617 -8.771 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.915 -8.888 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.217 -8.798 -3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.628 -4.447 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.791 -4.798 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.375 -4.296 -4.671 1.00 0.00 H new ATOM 218 N SER A 14 6.810 -8.447 -1.598 1.00 0.00 N ATOM 219 CA SER A 14 6.006 -9.144 -0.559 1.00 0.00 C ATOM 220 C SER A 14 6.057 -8.305 0.712 1.00 0.00 C ATOM 221 O SER A 14 5.058 -8.066 1.359 1.00 0.00 O ATOM 222 CB SER A 14 6.603 -10.523 -0.287 1.00 0.00 C ATOM 223 OG SER A 14 5.885 -11.147 0.770 1.00 0.00 O ATOM 0 H SER A 14 7.484 -9.030 -2.094 1.00 0.00 H new ATOM 0 HA SER A 14 4.976 -9.268 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.554 -11.137 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.656 -10.430 -0.021 1.00 0.00 H new ATOM 0 HG SER A 14 6.265 -12.033 0.945 1.00 0.00 H new ATOM 229 N ASP A 15 7.226 -7.843 1.061 1.00 0.00 N ATOM 230 CA ASP A 15 7.370 -7.001 2.270 1.00 0.00 C ATOM 231 C ASP A 15 6.452 -5.789 2.142 1.00 0.00 C ATOM 232 O ASP A 15 5.771 -5.407 3.072 1.00 0.00 O ATOM 233 CB ASP A 15 8.816 -6.525 2.381 1.00 0.00 C ATOM 234 CG ASP A 15 9.415 -7.008 3.703 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.635 -8.201 3.830 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.642 -6.177 4.567 1.00 0.00 O ATOM 0 H ASP A 15 8.093 -8.017 0.552 1.00 0.00 H new ATOM 0 HA ASP A 15 7.104 -7.577 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.401 -6.907 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.856 -5.437 2.328 1.00 0.00 H new ATOM 241 N LEU A 16 6.429 -5.187 0.986 1.00 0.00 N ATOM 242 CA LEU A 16 5.551 -4.004 0.776 1.00 0.00 C ATOM 243 C LEU A 16 4.122 -4.383 1.150 1.00 0.00 C ATOM 244 O LEU A 16 3.475 -3.734 1.950 1.00 0.00 O ATOM 245 CB LEU A 16 5.605 -3.601 -0.697 1.00 0.00 C ATOM 246 CG LEU A 16 4.994 -2.211 -0.875 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.626 -1.243 0.124 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.262 -1.718 -2.298 1.00 0.00 C ATOM 0 H LEU A 16 6.982 -5.465 0.175 1.00 0.00 H new ATOM 0 HA LEU A 16 5.884 -3.170 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.637 -3.602 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.063 -4.327 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 16 3.919 -2.262 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.190 -0.252 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.439 -1.594 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.701 -1.191 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.827 -0.727 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.337 -1.668 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.813 -2.408 -3.013 1.00 0.00 H new ATOM 260 N HIS A 17 3.635 -5.443 0.577 1.00 0.00 N ATOM 261 CA HIS A 17 2.261 -5.903 0.880 1.00 0.00 C ATOM 262 C HIS A 17 2.197 -6.343 2.344 1.00 0.00 C ATOM 263 O HIS A 17 1.142 -6.410 2.941 1.00 0.00 O ATOM 264 CB HIS A 17 1.937 -7.077 -0.041 1.00 0.00 C ATOM 265 CG HIS A 17 2.178 -6.660 -1.467 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.492 -5.608 -2.053 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.026 -7.139 -2.435 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.934 -5.491 -3.319 1.00 0.00 C ATOM 269 NE2 HIS A 17 2.868 -6.398 -3.602 1.00 0.00 N ATOM 0 H HIS A 17 4.140 -6.017 -0.098 1.00 0.00 H new ATOM 0 HA HIS A 17 1.538 -5.103 0.720 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.559 -7.936 0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.900 -7.385 0.091 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.782 -5.028 -1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.711 -7.965 -2.310 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.575 -4.752 -4.020 1.00 0.00 H new ATOM 277 N GLN A 18 3.323 -6.635 2.929 1.00 0.00 N ATOM 278 CA GLN A 18 3.336 -7.057 4.348 1.00 0.00 C ATOM 279 C GLN A 18 2.957 -5.864 5.225 1.00 0.00 C ATOM 280 O GLN A 18 2.042 -5.930 6.022 1.00 0.00 O ATOM 281 CB GLN A 18 4.736 -7.545 4.725 1.00 0.00 C ATOM 282 CG GLN A 18 4.645 -8.472 5.939 1.00 0.00 C ATOM 283 CD GLN A 18 4.910 -9.913 5.502 1.00 0.00 C ATOM 284 OE1 GLN A 18 4.061 -10.771 5.648 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.061 -10.219 4.968 1.00 0.00 N ATOM 0 H GLN A 18 4.238 -6.598 2.480 1.00 0.00 H new ATOM 0 HA GLN A 18 2.622 -7.867 4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.187 -8.073 3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.380 -6.695 4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.370 -8.171 6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.658 -8.395 6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.774 -9.500 4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.248 -11.177 4.673 1.00 0.00 H new ATOM 294 N THR A 19 3.657 -4.771 5.083 1.00 0.00 N ATOM 295 CA THR A 19 3.343 -3.579 5.904 1.00 0.00 C ATOM 296 C THR A 19 1.950 -3.067 5.517 1.00 0.00 C ATOM 297 O THR A 19 1.174 -2.661 6.356 1.00 0.00 O ATOM 298 CB THR A 19 4.429 -2.500 5.682 1.00 0.00 C ATOM 299 OG1 THR A 19 5.078 -2.239 6.918 1.00 0.00 O ATOM 300 CG2 THR A 19 3.821 -1.192 5.160 1.00 0.00 C ATOM 0 H THR A 19 4.433 -4.657 4.431 1.00 0.00 H new ATOM 0 HA THR A 19 3.337 -3.832 6.964 1.00 0.00 H new ATOM 0 HB THR A 19 5.135 -2.873 4.940 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.770 -1.557 6.787 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.612 -0.456 5.015 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.319 -1.378 4.210 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.099 -0.812 5.883 1.00 0.00 H new ATOM 308 N LEU A 20 1.627 -3.092 4.252 1.00 0.00 N ATOM 309 CA LEU A 20 0.294 -2.622 3.815 1.00 0.00 C ATOM 310 C LEU A 20 -0.771 -3.519 4.439 1.00 0.00 C ATOM 311 O LEU A 20 -1.850 -3.097 4.772 1.00 0.00 O ATOM 312 CB LEU A 20 0.209 -2.731 2.297 1.00 0.00 C ATOM 313 CG LEU A 20 1.102 -1.671 1.648 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.992 -1.783 0.129 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.653 -0.276 2.091 1.00 0.00 C ATOM 0 H LEU A 20 2.237 -3.421 3.503 1.00 0.00 H new ATOM 0 HA LEU A 20 0.138 -1.588 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.519 -3.726 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.823 -2.599 1.971 1.00 0.00 H new ATOM 0 HG LEU A 20 2.136 -1.829 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.626 -1.030 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.314 -2.775 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.043 -1.624 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.291 0.476 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.381 -0.113 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.729 -0.197 3.175 1.00 0.00 H new ATOM 327 N LYS A 21 -0.454 -4.763 4.585 1.00 0.00 N ATOM 328 CA LYS A 21 -1.411 -5.742 5.174 1.00 0.00 C ATOM 329 C LYS A 21 -1.564 -5.481 6.670 1.00 0.00 C ATOM 330 O LYS A 21 -2.640 -5.583 7.218 1.00 0.00 O ATOM 331 CB LYS A 21 -0.869 -7.154 4.962 1.00 0.00 C ATOM 332 CG LYS A 21 -1.754 -8.164 5.694 1.00 0.00 C ATOM 333 CD LYS A 21 -0.998 -9.486 5.844 1.00 0.00 C ATOM 334 CE LYS A 21 -1.784 -10.426 6.759 1.00 0.00 C ATOM 335 NZ LYS A 21 -1.724 -11.812 6.216 1.00 0.00 N ATOM 0 H LYS A 21 0.447 -5.159 4.317 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.382 -5.637 4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.840 -7.386 3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.155 -7.220 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.032 -7.778 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.679 -8.322 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.856 -9.948 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.006 -9.304 6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.370 -10.401 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.821 -10.097 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.258 -12.452 6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.139 -11.830 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.733 -12.124 6.168 1.00 0.00 H new ATOM 349 N LYS A 22 -0.494 -5.150 7.334 1.00 0.00 N ATOM 350 CA LYS A 22 -0.571 -4.883 8.790 1.00 0.00 C ATOM 351 C LYS A 22 -1.412 -3.634 9.024 1.00 0.00 C ATOM 352 O LYS A 22 -2.366 -3.635 9.775 1.00 0.00 O ATOM 353 CB LYS A 22 0.834 -4.633 9.319 1.00 0.00 C ATOM 354 CG LYS A 22 0.790 -4.448 10.837 1.00 0.00 C ATOM 355 CD LYS A 22 0.174 -5.688 11.487 1.00 0.00 C ATOM 356 CE LYS A 22 0.860 -5.954 12.828 1.00 0.00 C ATOM 357 NZ LYS A 22 0.159 -7.065 13.533 1.00 0.00 N ATOM 0 H LYS A 22 0.436 -5.053 6.925 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.020 -5.735 9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.483 -5.471 9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.258 -3.746 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.796 -4.284 11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.204 -3.564 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.896 -5.540 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.288 -6.551 10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.907 -6.213 12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.845 -5.053 13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.625 -7.246 14.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.833 -6.800 13.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.195 -7.925 12.949 1.00 0.00 H new ATOM 371 N GLU A 23 -1.052 -2.569 8.372 1.00 0.00 N ATOM 372 CA GLU A 23 -1.794 -1.303 8.518 1.00 0.00 C ATOM 373 C GLU A 23 -3.219 -1.515 8.031 1.00 0.00 C ATOM 374 O GLU A 23 -4.176 -1.403 8.772 1.00 0.00 O ATOM 375 CB GLU A 23 -1.100 -0.256 7.654 1.00 0.00 C ATOM 376 CG GLU A 23 0.228 0.128 8.307 1.00 0.00 C ATOM 377 CD GLU A 23 -0.039 0.952 9.568 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.191 2.156 9.445 1.00 0.00 O ATOM 379 OE2 GLU A 23 -0.088 0.364 10.636 1.00 0.00 O ATOM 0 H GLU A 23 -0.258 -2.527 7.733 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.817 -0.975 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.927 -0.649 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.735 0.624 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.793 -0.769 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.836 0.702 7.608 1.00 0.00 H new ATOM 386 N LEU A 24 -3.350 -1.840 6.785 1.00 0.00 N ATOM 387 CA LEU A 24 -4.684 -2.093 6.201 1.00 0.00 C ATOM 388 C LEU A 24 -5.323 -3.285 6.913 1.00 0.00 C ATOM 389 O LEU A 24 -6.499 -3.550 6.765 1.00 0.00 O ATOM 390 CB LEU A 24 -4.503 -2.424 4.721 1.00 0.00 C ATOM 391 CG LEU A 24 -3.805 -1.259 4.018 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.936 -1.800 2.882 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.853 -0.302 3.448 1.00 0.00 C ATOM 0 H LEU A 24 -2.572 -1.943 6.133 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.323 -1.218 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.914 -3.334 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.472 -2.613 4.259 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.180 -0.725 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.437 -0.971 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.188 -2.481 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.562 -2.334 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.354 0.528 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.480 -0.834 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.473 0.083 4.258 1.00 0.00 H new ATOM 405 N ALA A 25 -4.555 -4.017 7.679 1.00 0.00 N ATOM 406 CA ALA A 25 -5.124 -5.193 8.382 1.00 0.00 C ATOM 407 C ALA A 25 -5.892 -6.046 7.373 1.00 0.00 C ATOM 408 O ALA A 25 -7.034 -6.405 7.584 1.00 0.00 O ATOM 409 CB ALA A 25 -6.060 -4.706 9.481 1.00 0.00 C ATOM 0 H ALA A 25 -3.563 -3.848 7.844 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.331 -5.792 8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.484 -5.563 10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.503 -4.089 10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.864 -4.117 9.040 1.00 0.00 H new ATOM 415 N LEU A 26 -5.268 -6.368 6.272 1.00 0.00 N ATOM 416 CA LEU A 26 -5.949 -7.192 5.234 1.00 0.00 C ATOM 417 C LEU A 26 -6.157 -8.614 5.766 1.00 0.00 C ATOM 418 O LEU A 26 -5.520 -9.013 6.720 1.00 0.00 O ATOM 419 CB LEU A 26 -5.076 -7.232 3.979 1.00 0.00 C ATOM 420 CG LEU A 26 -4.658 -5.809 3.605 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.675 -5.854 2.443 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.894 -5.002 3.199 1.00 0.00 C ATOM 0 H LEU A 26 -4.312 -6.094 6.047 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.918 -6.756 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.194 -7.847 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.624 -7.690 3.156 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.182 -5.335 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.378 -4.839 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.794 -6.425 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.148 -6.330 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.595 -3.988 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.373 -5.476 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.595 -4.966 4.033 1.00 0.00 H new ATOM 434 N PRO A 27 -7.048 -9.335 5.133 1.00 0.00 N ATOM 435 CA PRO A 27 -7.361 -10.719 5.530 1.00 0.00 C ATOM 436 C PRO A 27 -6.111 -11.593 5.454 1.00 0.00 C ATOM 437 O PRO A 27 -5.033 -11.130 5.136 1.00 0.00 O ATOM 438 CB PRO A 27 -8.405 -11.192 4.511 1.00 0.00 C ATOM 439 CG PRO A 27 -8.755 -9.987 3.602 1.00 0.00 C ATOM 440 CD PRO A 27 -7.814 -8.835 3.975 1.00 0.00 C ATOM 0 HA PRO A 27 -7.726 -10.780 6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.013 -12.018 3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.297 -11.559 5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.637 -10.253 2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.795 -9.692 3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.155 -8.578 3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.373 -7.934 4.229 1.00 0.00 H new ATOM 448 N GLU A 28 -6.249 -12.858 5.737 1.00 0.00 N ATOM 449 CA GLU A 28 -5.074 -13.767 5.674 1.00 0.00 C ATOM 450 C GLU A 28 -4.819 -14.147 4.218 1.00 0.00 C ATOM 451 O GLU A 28 -3.754 -14.613 3.863 1.00 0.00 O ATOM 452 CB GLU A 28 -5.362 -15.031 6.484 1.00 0.00 C ATOM 453 CG GLU A 28 -5.177 -14.739 7.975 1.00 0.00 C ATOM 454 CD GLU A 28 -5.063 -16.057 8.743 1.00 0.00 C ATOM 455 OE1 GLU A 28 -5.769 -16.988 8.391 1.00 0.00 O ATOM 456 OE2 GLU A 28 -4.272 -16.113 9.669 1.00 0.00 O ATOM 0 H GLU A 28 -7.126 -13.301 6.009 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.198 -13.266 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.379 -15.373 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.693 -15.834 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.282 -14.137 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.020 -14.159 8.350 1.00 0.00 H new ATOM 463 N TYR A 29 -5.790 -13.951 3.368 1.00 0.00 N ATOM 464 CA TYR A 29 -5.602 -14.300 1.935 1.00 0.00 C ATOM 465 C TYR A 29 -5.147 -13.062 1.161 1.00 0.00 C ATOM 466 O TYR A 29 -5.166 -13.046 -0.054 1.00 0.00 O ATOM 467 CB TYR A 29 -6.916 -14.824 1.348 1.00 0.00 C ATOM 468 CG TYR A 29 -8.052 -13.904 1.726 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.383 -12.825 0.898 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.778 -14.133 2.901 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.440 -11.975 1.244 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.834 -13.282 3.248 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.166 -12.204 2.419 1.00 0.00 C ATOM 474 OH TYR A 29 -11.208 -11.366 2.761 1.00 0.00 O ATOM 0 H TYR A 29 -6.704 -13.565 3.606 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.842 -15.077 1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.838 -14.892 0.263 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.113 -15.830 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.823 -12.648 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.523 -14.966 3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.695 -11.143 0.605 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.393 -13.457 4.156 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.606 -11.666 3.605 1.00 0.00 H new ATOM 484 N TYR A 30 -4.736 -12.027 1.855 1.00 0.00 N ATOM 485 CA TYR A 30 -4.269 -10.787 1.156 1.00 0.00 C ATOM 486 C TYR A 30 -3.472 -11.183 -0.089 1.00 0.00 C ATOM 487 O TYR A 30 -2.317 -11.549 -0.009 1.00 0.00 O ATOM 488 CB TYR A 30 -3.373 -9.968 2.097 1.00 0.00 C ATOM 489 CG TYR A 30 -2.846 -8.745 1.373 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.574 -8.192 0.315 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.626 -8.167 1.760 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.088 -7.062 -0.356 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.138 -7.033 1.087 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.871 -6.483 0.030 1.00 0.00 C ATOM 495 OH TYR A 30 -1.396 -5.371 -0.634 1.00 0.00 O ATOM 0 H TYR A 30 -4.704 -11.987 2.874 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.131 -10.185 0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.938 -9.664 2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.542 -10.581 2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.512 -8.636 0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.062 -8.594 2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.652 -6.636 -1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.200 -6.588 1.385 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.682 -4.955 -0.107 1.00 0.00 H new ATOM 505 N GLY A 31 -4.089 -11.131 -1.238 1.00 0.00 N ATOM 506 CA GLY A 31 -3.377 -11.519 -2.489 1.00 0.00 C ATOM 507 C GLY A 31 -2.059 -10.751 -2.598 1.00 0.00 C ATOM 508 O GLY A 31 -1.085 -11.253 -3.119 1.00 0.00 O ATOM 0 H GLY A 31 -5.057 -10.836 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.184 -12.592 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.004 -11.307 -3.355 1.00 0.00 H new ATOM 512 N GLU A 32 -2.031 -9.536 -2.119 1.00 0.00 N ATOM 513 CA GLU A 32 -0.786 -8.710 -2.188 1.00 0.00 C ATOM 514 C GLU A 32 -0.613 -8.123 -3.592 1.00 0.00 C ATOM 515 O GLU A 32 0.161 -7.215 -3.793 1.00 0.00 O ATOM 516 CB GLU A 32 0.444 -9.555 -1.835 1.00 0.00 C ATOM 517 CG GLU A 32 0.213 -10.263 -0.498 1.00 0.00 C ATOM 518 CD GLU A 32 0.506 -11.756 -0.650 1.00 0.00 C ATOM 519 OE1 GLU A 32 0.558 -12.219 -1.778 1.00 0.00 O ATOM 520 OE2 GLU A 32 0.675 -12.412 0.364 1.00 0.00 O ATOM 0 H GLU A 32 -2.826 -9.074 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.879 -7.899 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.631 -10.289 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.328 -8.921 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.857 -9.832 0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.816 -10.116 -0.170 1.00 0.00 H new ATOM 527 N ASN A 33 -1.319 -8.618 -4.568 1.00 0.00 N ATOM 528 CA ASN A 33 -1.162 -8.053 -5.938 1.00 0.00 C ATOM 529 C ASN A 33 -1.995 -6.775 -6.067 1.00 0.00 C ATOM 530 O ASN A 33 -2.517 -6.260 -5.100 1.00 0.00 O ATOM 531 CB ASN A 33 -1.603 -9.073 -6.997 1.00 0.00 C ATOM 532 CG ASN A 33 -2.907 -9.761 -6.584 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.966 -9.407 -7.058 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.875 -10.750 -5.733 1.00 0.00 N ATOM 0 H ASN A 33 -1.991 -9.380 -4.480 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.110 -7.818 -6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.739 -8.572 -7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.821 -9.820 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.739 -11.223 -5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.986 -11.050 -5.333 1.00 0.00 H new ATOM 541 N LEU A 34 -2.116 -6.259 -7.258 1.00 0.00 N ATOM 542 CA LEU A 34 -2.910 -5.014 -7.467 1.00 0.00 C ATOM 543 C LEU A 34 -4.394 -5.344 -7.392 1.00 0.00 C ATOM 544 O LEU A 34 -5.188 -4.614 -6.846 1.00 0.00 O ATOM 545 CB LEU A 34 -2.616 -4.475 -8.858 1.00 0.00 C ATOM 546 CG LEU A 34 -1.115 -4.222 -9.015 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.825 -3.756 -10.443 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.666 -3.141 -8.029 1.00 0.00 C ATOM 0 H LEU A 34 -1.696 -6.648 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.648 -4.281 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.954 -5.186 -9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.168 -3.550 -9.023 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.572 -5.145 -8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.244 -3.575 -10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.140 -4.525 -11.148 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.372 -2.835 -10.643 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.403 -2.965 -8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.210 -2.218 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.871 -3.470 -7.010 1.00 0.00 H new ATOM 560 N ASP A 35 -4.760 -6.437 -7.969 1.00 0.00 N ATOM 561 CA ASP A 35 -6.183 -6.863 -7.976 1.00 0.00 C ATOM 562 C ASP A 35 -6.667 -7.109 -6.547 1.00 0.00 C ATOM 563 O ASP A 35 -7.787 -6.795 -6.195 1.00 0.00 O ATOM 564 CB ASP A 35 -6.283 -8.170 -8.746 1.00 0.00 C ATOM 565 CG ASP A 35 -6.034 -7.914 -10.234 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.477 -6.875 -10.551 1.00 0.00 O ATOM 567 OD2 ASP A 35 -6.403 -8.760 -11.031 1.00 0.00 O ATOM 0 H ASP A 35 -4.123 -7.073 -8.449 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.793 -6.085 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.555 -8.885 -8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.269 -8.612 -8.603 1.00 0.00 H new ATOM 572 N ALA A 36 -5.833 -7.679 -5.725 1.00 0.00 N ATOM 573 CA ALA A 36 -6.246 -7.959 -4.319 1.00 0.00 C ATOM 574 C ALA A 36 -6.092 -6.695 -3.502 1.00 0.00 C ATOM 575 O ALA A 36 -7.034 -6.189 -2.932 1.00 0.00 O ATOM 576 CB ALA A 36 -5.363 -9.047 -3.718 1.00 0.00 C ATOM 0 H ALA A 36 -4.883 -7.964 -5.964 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.283 -8.294 -4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.674 -9.242 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.459 -9.960 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.324 -8.718 -3.726 1.00 0.00 H new ATOM 582 N LEU A 37 -4.901 -6.176 -3.462 1.00 0.00 N ATOM 583 CA LEU A 37 -4.654 -4.921 -2.705 1.00 0.00 C ATOM 584 C LEU A 37 -5.797 -3.965 -3.018 1.00 0.00 C ATOM 585 O LEU A 37 -6.438 -3.398 -2.148 1.00 0.00 O ATOM 586 CB LEU A 37 -3.332 -4.320 -3.184 1.00 0.00 C ATOM 587 CG LEU A 37 -3.266 -2.842 -2.796 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.134 -2.717 -1.277 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.056 -2.192 -3.469 1.00 0.00 C ATOM 0 H LEU A 37 -4.081 -6.570 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.599 -5.105 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.495 -4.860 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.244 -4.426 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.177 -2.340 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.087 -1.663 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.997 -3.179 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.224 -3.219 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.008 -1.139 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.145 -2.694 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.151 -2.279 -4.551 1.00 0.00 H new ATOM 601 N TRP A 38 -6.054 -3.807 -4.276 1.00 0.00 N ATOM 602 CA TRP A 38 -7.148 -2.930 -4.714 1.00 0.00 C ATOM 603 C TRP A 38 -8.436 -3.444 -4.122 1.00 0.00 C ATOM 604 O TRP A 38 -9.168 -2.735 -3.465 1.00 0.00 O ATOM 605 CB TRP A 38 -7.278 -2.984 -6.228 1.00 0.00 C ATOM 606 CG TRP A 38 -8.414 -2.115 -6.616 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.697 -2.508 -6.669 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.394 -0.713 -6.964 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.479 -1.429 -7.046 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.713 -0.294 -7.241 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.364 0.221 -7.070 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.994 1.020 -7.610 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.630 1.535 -7.434 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.944 1.943 -7.706 1.00 0.00 C ATOM 0 H TRP A 38 -5.539 -4.260 -5.031 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.943 -1.908 -4.394 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.358 -2.644 -6.703 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.449 -4.008 -6.561 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.059 -3.502 -6.453 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.491 -1.467 -7.165 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.347 -0.081 -6.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.009 1.323 -7.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.821 2.246 -7.508 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.146 2.966 -7.989 1.00 0.00 H new ATOM 625 N ASP A 39 -8.705 -4.691 -4.353 1.00 0.00 N ATOM 626 CA ASP A 39 -9.940 -5.297 -3.808 1.00 0.00 C ATOM 627 C ASP A 39 -10.083 -4.851 -2.358 1.00 0.00 C ATOM 628 O ASP A 39 -11.171 -4.754 -1.824 1.00 0.00 O ATOM 629 CB ASP A 39 -9.838 -6.819 -3.875 1.00 0.00 C ATOM 630 CG ASP A 39 -10.494 -7.320 -5.163 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.852 -6.492 -5.984 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.628 -8.524 -5.306 1.00 0.00 O ATOM 0 H ASP A 39 -8.118 -5.321 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.807 -4.981 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.792 -7.125 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.326 -7.265 -3.009 1.00 0.00 H new ATOM 637 N CYS A 40 -8.980 -4.559 -1.725 1.00 0.00 N ATOM 638 CA CYS A 40 -9.027 -4.097 -0.320 1.00 0.00 C ATOM 639 C CYS A 40 -9.433 -2.621 -0.299 1.00 0.00 C ATOM 640 O CYS A 40 -10.338 -2.229 0.410 1.00 0.00 O ATOM 641 CB CYS A 40 -7.642 -4.259 0.305 1.00 0.00 C ATOM 642 SG CYS A 40 -6.936 -5.847 -0.200 1.00 0.00 S ATOM 0 H CYS A 40 -8.045 -4.623 -2.128 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.750 -4.684 0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.991 -3.443 -0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.713 -4.209 1.392 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.988 -5.953 -1.495 1.00 0.00 H new ATOM 648 N LEU A 41 -8.773 -1.795 -1.073 1.00 0.00 N ATOM 649 CA LEU A 41 -9.125 -0.357 -1.090 1.00 0.00 C ATOM 650 C LEU A 41 -10.546 -0.166 -1.625 1.00 0.00 C ATOM 651 O LEU A 41 -11.108 0.908 -1.541 1.00 0.00 O ATOM 652 CB LEU A 41 -8.158 0.379 -2.008 1.00 0.00 C ATOM 653 CG LEU A 41 -6.737 -0.142 -1.804 1.00 0.00 C ATOM 654 CD1 LEU A 41 -5.778 0.753 -2.570 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.383 -0.120 -0.316 1.00 0.00 C ATOM 0 H LEU A 41 -8.007 -2.062 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.065 0.035 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.457 0.243 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.194 1.449 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.664 -1.167 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.758 0.394 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.031 0.735 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.856 1.774 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.368 -0.493 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.448 0.902 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.080 -0.753 0.233 1.00 0.00 H new ATOM 667 N THR A 42 -11.125 -1.185 -2.195 1.00 0.00 N ATOM 668 CA THR A 42 -12.488 -1.042 -2.750 1.00 0.00 C ATOM 669 C THR A 42 -13.417 -2.112 -2.172 1.00 0.00 C ATOM 670 O THR A 42 -14.310 -2.592 -2.843 1.00 0.00 O ATOM 671 CB THR A 42 -12.427 -1.181 -4.273 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.114 -2.525 -4.612 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.348 -0.247 -4.825 1.00 0.00 C ATOM 0 H THR A 42 -10.708 -2.110 -2.298 1.00 0.00 H new ATOM 0 HA THR A 42 -12.880 -0.061 -2.482 1.00 0.00 H new ATOM 0 HB THR A 42 -13.392 -0.914 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.401 -2.535 -5.284 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.303 -0.344 -5.910 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.590 0.783 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.382 -0.513 -4.396 1.00 0.00 H new ATOM 681 N GLY A 43 -13.229 -2.489 -0.936 1.00 0.00 N ATOM 682 CA GLY A 43 -14.125 -3.522 -0.341 1.00 0.00 C ATOM 683 C GLY A 43 -13.478 -4.135 0.902 1.00 0.00 C ATOM 684 O GLY A 43 -13.606 -5.316 1.157 1.00 0.00 O ATOM 0 H GLY A 43 -12.501 -2.131 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.083 -3.074 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.330 -4.302 -1.075 1.00 0.00 H new ATOM 688 N TRP A 44 -12.787 -3.351 1.684 1.00 0.00 N ATOM 689 CA TRP A 44 -12.146 -3.908 2.904 1.00 0.00 C ATOM 690 C TRP A 44 -11.580 -2.768 3.750 1.00 0.00 C ATOM 691 O TRP A 44 -12.087 -2.451 4.807 1.00 0.00 O ATOM 692 CB TRP A 44 -11.012 -4.846 2.492 1.00 0.00 C ATOM 693 CG TRP A 44 -10.434 -5.489 3.709 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.360 -5.033 4.389 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.879 -6.691 4.398 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.112 -5.883 5.454 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.025 -6.919 5.503 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.930 -7.595 4.173 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.209 -8.008 6.355 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.119 -8.693 5.028 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.260 -8.899 6.117 1.00 0.00 C ATOM 0 H TRP A 44 -12.640 -2.353 1.530 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.885 -4.458 3.486 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.386 -5.608 1.807 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.240 -4.290 1.960 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.788 -4.150 4.143 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.349 -5.759 6.120 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.597 -7.445 3.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.545 -8.162 7.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.930 -9.382 4.846 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.410 -9.745 6.771 1.00 0.00 H new ATOM 712 N VAL A 45 -10.526 -2.156 3.292 1.00 0.00 N ATOM 713 CA VAL A 45 -9.911 -1.043 4.057 1.00 0.00 C ATOM 714 C VAL A 45 -10.938 0.068 4.278 1.00 0.00 C ATOM 715 O VAL A 45 -11.642 0.464 3.371 1.00 0.00 O ATOM 716 CB VAL A 45 -8.727 -0.487 3.269 1.00 0.00 C ATOM 717 CG1 VAL A 45 -7.872 0.393 4.182 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.885 -1.648 2.737 1.00 0.00 C ATOM 0 H VAL A 45 -10.062 -2.383 2.413 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.572 -1.414 5.024 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.092 0.111 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.027 0.789 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.475 1.218 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.504 -0.201 5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.038 -1.255 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.519 -2.245 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.496 -2.272 2.085 1.00 0.00 H new ATOM 728 N GLU A 46 -11.023 0.583 5.475 1.00 0.00 N ATOM 729 CA GLU A 46 -11.997 1.675 5.740 1.00 0.00 C ATOM 730 C GLU A 46 -11.327 3.022 5.471 1.00 0.00 C ATOM 731 O GLU A 46 -10.181 3.237 5.808 1.00 0.00 O ATOM 732 CB GLU A 46 -12.461 1.621 7.195 1.00 0.00 C ATOM 733 CG GLU A 46 -13.903 1.112 7.252 1.00 0.00 C ATOM 734 CD GLU A 46 -13.904 -0.401 7.475 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.916 -0.906 7.983 1.00 0.00 O ATOM 736 OE2 GLU A 46 -14.893 -1.029 7.136 1.00 0.00 O ATOM 0 H GLU A 46 -10.462 0.295 6.276 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.861 1.553 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.809 0.965 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.395 2.611 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.443 1.609 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.422 1.353 6.324 1.00 0.00 H new ATOM 743 N TYR A 47 -12.040 3.926 4.864 1.00 0.00 N ATOM 744 CA TYR A 47 -11.466 5.267 4.555 1.00 0.00 C ATOM 745 C TYR A 47 -12.254 6.326 5.340 1.00 0.00 C ATOM 746 O TYR A 47 -13.279 6.010 5.910 1.00 0.00 O ATOM 747 CB TYR A 47 -11.586 5.500 3.042 1.00 0.00 C ATOM 748 CG TYR A 47 -10.641 4.573 2.298 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.610 3.904 2.977 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.799 4.378 0.921 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.751 3.050 2.281 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.935 3.524 0.230 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.912 2.861 0.910 1.00 0.00 C ATOM 754 OH TYR A 47 -8.064 2.015 0.228 1.00 0.00 O ATOM 0 H TYR A 47 -13.006 3.794 4.565 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.416 5.329 4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.612 5.323 2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.352 6.538 2.806 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.481 4.050 4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.590 4.888 0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.960 2.535 2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.059 3.377 -0.833 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.151 2.370 0.262 1.00 0.00 H new ATOM 764 N PRO A 48 -11.765 7.550 5.378 1.00 0.00 N ATOM 765 CA PRO A 48 -10.517 7.981 4.698 1.00 0.00 C ATOM 766 C PRO A 48 -9.289 7.226 5.214 1.00 0.00 C ATOM 767 O PRO A 48 -9.086 7.080 6.403 1.00 0.00 O ATOM 768 CB PRO A 48 -10.385 9.473 5.034 1.00 0.00 C ATOM 769 CG PRO A 48 -11.585 9.867 5.930 1.00 0.00 C ATOM 770 CD PRO A 48 -12.451 8.616 6.128 1.00 0.00 C ATOM 0 HA PRO A 48 -10.567 7.782 3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.444 9.666 5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.377 10.070 4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.237 10.247 6.890 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.165 10.664 5.464 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.539 8.361 7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.462 8.773 5.753 1.00 0.00 H new ATOM 778 N LEU A 49 -8.461 6.764 4.316 1.00 0.00 N ATOM 779 CA LEU A 49 -7.229 6.035 4.727 1.00 0.00 C ATOM 780 C LEU A 49 -6.025 6.927 4.448 1.00 0.00 C ATOM 781 O LEU A 49 -6.064 7.787 3.595 1.00 0.00 O ATOM 782 CB LEU A 49 -7.108 4.739 3.901 1.00 0.00 C ATOM 783 CG LEU A 49 -5.636 4.323 3.726 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.079 3.775 5.043 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.538 3.247 2.643 1.00 0.00 C ATOM 0 H LEU A 49 -8.587 6.862 3.309 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.273 5.786 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.658 3.938 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.566 4.885 2.923 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.053 5.196 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.038 3.485 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.142 4.544 5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.660 2.906 5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.497 2.951 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.129 2.380 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.919 3.643 1.701 1.00 0.00 H new ATOM 797 N VAL A 50 -4.943 6.700 5.126 1.00 0.00 N ATOM 798 CA VAL A 50 -3.728 7.505 4.858 1.00 0.00 C ATOM 799 C VAL A 50 -2.640 6.549 4.367 1.00 0.00 C ATOM 800 O VAL A 50 -2.485 5.462 4.878 1.00 0.00 O ATOM 801 CB VAL A 50 -3.285 8.239 6.147 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.860 7.840 6.563 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.318 9.748 5.901 1.00 0.00 C ATOM 0 H VAL A 50 -4.847 5.992 5.854 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.922 8.264 4.101 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.970 7.959 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.583 8.375 7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.822 6.766 6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.163 8.095 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.007 10.271 6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.640 9.999 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.331 10.051 5.637 1.00 0.00 H new ATOM 813 N LEU A 51 -1.870 6.944 3.403 1.00 0.00 N ATOM 814 CA LEU A 51 -0.783 6.053 2.936 1.00 0.00 C ATOM 815 C LEU A 51 0.521 6.824 3.056 1.00 0.00 C ATOM 816 O LEU A 51 1.016 7.394 2.103 1.00 0.00 O ATOM 817 CB LEU A 51 -1.004 5.608 1.485 1.00 0.00 C ATOM 818 CG LEU A 51 0.166 4.718 1.057 1.00 0.00 C ATOM 819 CD1 LEU A 51 0.141 3.419 1.861 1.00 0.00 C ATOM 820 CD2 LEU A 51 0.046 4.372 -0.423 1.00 0.00 C ATOM 0 H LEU A 51 -1.944 7.839 2.920 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.761 5.149 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.944 5.064 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.076 6.477 0.831 1.00 0.00 H new ATOM 0 HG LEU A 51 1.097 5.255 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.974 2.786 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.229 3.647 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.798 2.896 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.883 3.739 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.890 3.841 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.059 5.288 -1.013 1.00 0.00 H new ATOM 832 N GLU A 52 1.069 6.857 4.235 1.00 0.00 N ATOM 833 CA GLU A 52 2.333 7.600 4.446 1.00 0.00 C ATOM 834 C GLU A 52 3.480 6.750 3.914 1.00 0.00 C ATOM 835 O GLU A 52 4.138 6.032 4.642 1.00 0.00 O ATOM 836 CB GLU A 52 2.510 7.861 5.943 1.00 0.00 C ATOM 837 CG GLU A 52 3.915 8.406 6.208 1.00 0.00 C ATOM 838 CD GLU A 52 3.957 9.058 7.591 1.00 0.00 C ATOM 839 OE1 GLU A 52 3.653 8.376 8.555 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.294 10.229 7.662 1.00 0.00 O ATOM 0 H GLU A 52 0.692 6.398 5.064 1.00 0.00 H new ATOM 0 HA GLU A 52 2.317 8.556 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.762 8.574 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.355 6.939 6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.646 7.599 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.185 9.134 5.443 1.00 0.00 H new ATOM 847 N TRP A 53 3.703 6.813 2.631 1.00 0.00 N ATOM 848 CA TRP A 53 4.784 6.001 2.023 1.00 0.00 C ATOM 849 C TRP A 53 6.149 6.543 2.449 1.00 0.00 C ATOM 850 O TRP A 53 6.574 7.596 2.019 1.00 0.00 O ATOM 851 CB TRP A 53 4.667 6.051 0.502 1.00 0.00 C ATOM 852 CG TRP A 53 5.218 4.783 -0.054 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.501 4.380 0.077 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.533 3.742 -0.809 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.651 3.159 -0.548 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.469 2.724 -1.110 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.207 3.580 -1.259 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.106 1.589 -1.828 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.842 2.434 -1.987 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.791 1.442 -2.269 1.00 0.00 C ATOM 0 H TRP A 53 3.179 7.395 1.978 1.00 0.00 H new ATOM 0 HA TRP A 53 4.688 4.970 2.363 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.625 6.174 0.206 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.214 6.907 0.107 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.282 4.925 0.587 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.529 2.641 -0.589 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.469 4.339 -1.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.839 0.825 -2.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.825 2.317 -2.331 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.504 0.564 -2.828 1.00 0.00 H new ATOM 871 N ARG A 54 6.841 5.822 3.286 1.00 0.00 N ATOM 872 CA ARG A 54 8.183 6.282 3.737 1.00 0.00 C ATOM 873 C ARG A 54 9.248 5.744 2.779 1.00 0.00 C ATOM 874 O ARG A 54 9.203 4.602 2.366 1.00 0.00 O ATOM 875 CB ARG A 54 8.454 5.755 5.148 1.00 0.00 C ATOM 876 CG ARG A 54 8.549 6.928 6.124 1.00 0.00 C ATOM 877 CD ARG A 54 9.937 7.562 6.027 1.00 0.00 C ATOM 878 NE ARG A 54 10.178 8.417 7.223 1.00 0.00 N ATOM 879 CZ ARG A 54 11.387 8.816 7.507 1.00 0.00 C ATOM 880 NH1 ARG A 54 12.102 9.426 6.602 1.00 0.00 N ATOM 881 NH2 ARG A 54 11.881 8.605 8.696 1.00 0.00 N ATOM 0 H ARG A 54 6.534 4.932 3.678 1.00 0.00 H new ATOM 0 HA ARG A 54 8.214 7.372 3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.656 5.078 5.454 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.381 5.182 5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.783 7.668 5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.365 6.584 7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.699 6.786 5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.013 8.159 5.119 1.00 0.00 H new ATOM 0 HE ARG A 54 9.397 8.690 7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.716 9.591 5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.047 9.738 6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.322 8.128 9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.826 8.917 8.918 1.00 0.00 H new ATOM 895 N GLN A 55 10.204 6.555 2.419 1.00 0.00 N ATOM 896 CA GLN A 55 11.265 6.084 1.485 1.00 0.00 C ATOM 897 C GLN A 55 10.617 5.315 0.331 1.00 0.00 C ATOM 898 O GLN A 55 10.623 4.100 0.300 1.00 0.00 O ATOM 899 CB GLN A 55 12.236 5.167 2.232 1.00 0.00 C ATOM 900 CG GLN A 55 12.617 5.803 3.571 1.00 0.00 C ATOM 901 CD GLN A 55 13.964 6.515 3.433 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.299 7.034 2.283 1.00 0.00 O flip ATOM 903 NE2 GLN A 55 14.719 6.600 4.381 1.00 0.00 N flip ATOM 0 H GLN A 55 10.296 7.522 2.731 1.00 0.00 H new ATOM 0 HA GLN A 55 11.811 6.941 1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.776 4.193 2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.129 4.999 1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.849 6.512 3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.676 5.038 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.457 6.194 5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.615 7.077 4.278 1.00 0.00 H new ATOM 912 N PHE A 56 10.053 6.014 -0.617 1.00 0.00 N ATOM 913 CA PHE A 56 9.399 5.327 -1.767 1.00 0.00 C ATOM 914 C PHE A 56 10.465 4.739 -2.694 1.00 0.00 C ATOM 915 O PHE A 56 10.489 3.552 -2.952 1.00 0.00 O ATOM 916 CB PHE A 56 8.552 6.334 -2.545 1.00 0.00 C ATOM 917 CG PHE A 56 7.759 5.613 -3.608 1.00 0.00 C ATOM 918 CD1 PHE A 56 8.326 5.383 -4.868 1.00 0.00 C ATOM 919 CD2 PHE A 56 6.457 5.174 -3.337 1.00 0.00 C ATOM 920 CE1 PHE A 56 7.592 4.715 -5.855 1.00 0.00 C ATOM 921 CE2 PHE A 56 5.723 4.506 -4.324 1.00 0.00 C ATOM 922 CZ PHE A 56 6.291 4.277 -5.583 1.00 0.00 C ATOM 0 H PHE A 56 10.017 7.033 -0.644 1.00 0.00 H new ATOM 0 HA PHE A 56 8.764 4.524 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.878 6.859 -1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.193 7.087 -3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 56 9.330 5.721 -5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.019 5.351 -2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.030 4.538 -6.826 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.719 4.167 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.725 3.762 -6.345 1.00 0.00 H new ATOM 932 N GLU A 57 11.344 5.559 -3.202 1.00 0.00 N ATOM 933 CA GLU A 57 12.402 5.039 -4.113 1.00 0.00 C ATOM 934 C GLU A 57 13.120 3.874 -3.437 1.00 0.00 C ATOM 935 O GLU A 57 13.447 2.885 -4.063 1.00 0.00 O ATOM 936 CB GLU A 57 13.412 6.144 -4.414 1.00 0.00 C ATOM 937 CG GLU A 57 12.671 7.423 -4.813 1.00 0.00 C ATOM 938 CD GLU A 57 13.160 8.586 -3.948 1.00 0.00 C ATOM 939 OE1 GLU A 57 14.363 8.749 -3.833 1.00 0.00 O ATOM 940 OE2 GLU A 57 12.321 9.295 -3.415 1.00 0.00 O ATOM 0 H GLU A 57 11.375 6.563 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 57 11.944 4.703 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.034 6.330 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.079 5.832 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.843 7.642 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.597 7.288 -4.687 1.00 0.00 H new ATOM 947 N GLN A 58 13.368 3.982 -2.162 1.00 0.00 N ATOM 948 CA GLN A 58 14.058 2.884 -1.445 1.00 0.00 C ATOM 949 C GLN A 58 13.155 1.652 -1.448 1.00 0.00 C ATOM 950 O GLN A 58 13.614 0.530 -1.524 1.00 0.00 O ATOM 951 CB GLN A 58 14.339 3.311 -0.004 1.00 0.00 C ATOM 952 CG GLN A 58 15.322 4.484 0.000 1.00 0.00 C ATOM 953 CD GLN A 58 16.747 3.957 -0.177 1.00 0.00 C ATOM 954 OE1 GLN A 58 17.427 3.673 0.789 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.231 3.814 -1.381 1.00 0.00 N ATOM 0 H GLN A 58 13.120 4.787 -1.587 1.00 0.00 H new ATOM 0 HA GLN A 58 15.002 2.653 -1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.410 3.600 0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.752 2.475 0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.078 5.179 -0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.241 5.037 0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.660 4.052 -2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.180 3.464 -1.511 1.00 0.00 H new ATOM 964 N SER A 59 11.869 1.860 -1.368 1.00 0.00 N ATOM 965 CA SER A 59 10.926 0.710 -1.369 1.00 0.00 C ATOM 966 C SER A 59 10.498 0.404 -2.807 1.00 0.00 C ATOM 967 O SER A 59 9.606 -0.387 -3.042 1.00 0.00 O ATOM 968 CB SER A 59 9.696 1.057 -0.523 1.00 0.00 C ATOM 969 OG SER A 59 8.526 0.990 -1.329 1.00 0.00 O ATOM 0 H SER A 59 11.432 2.779 -1.302 1.00 0.00 H new ATOM 0 HA SER A 59 11.417 -0.166 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.612 0.365 0.315 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.802 2.057 -0.102 1.00 0.00 H new ATOM 0 HG SER A 59 8.461 0.102 -1.738 1.00 0.00 H new ATOM 975 N LYS A 60 11.125 1.019 -3.773 1.00 0.00 N ATOM 976 CA LYS A 60 10.745 0.751 -5.189 1.00 0.00 C ATOM 977 C LYS A 60 11.861 -0.033 -5.886 1.00 0.00 C ATOM 978 O LYS A 60 11.609 -0.885 -6.715 1.00 0.00 O ATOM 979 CB LYS A 60 10.526 2.079 -5.918 1.00 0.00 C ATOM 980 CG LYS A 60 9.960 1.808 -7.313 1.00 0.00 C ATOM 981 CD LYS A 60 9.721 3.136 -8.035 1.00 0.00 C ATOM 982 CE LYS A 60 10.716 3.277 -9.188 1.00 0.00 C ATOM 983 NZ LYS A 60 11.097 4.710 -9.343 1.00 0.00 N ATOM 0 H LYS A 60 11.880 1.692 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 60 9.826 0.165 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.840 2.708 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.467 2.623 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.653 1.191 -7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.026 1.251 -7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.700 3.177 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.835 3.966 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.602 2.673 -8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.273 2.905 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.774 4.806 -10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.248 5.275 -9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.536 5.050 -8.463 1.00 0.00 H new ATOM 997 N GLN A 61 13.092 0.257 -5.567 1.00 0.00 N ATOM 998 CA GLN A 61 14.222 -0.455 -6.218 1.00 0.00 C ATOM 999 C GLN A 61 14.303 -1.902 -5.722 1.00 0.00 C ATOM 1000 O GLN A 61 14.440 -2.826 -6.499 1.00 0.00 O ATOM 1001 CB GLN A 61 15.531 0.265 -5.889 1.00 0.00 C ATOM 1002 CG GLN A 61 15.557 1.625 -6.590 1.00 0.00 C ATOM 1003 CD GLN A 61 16.029 1.447 -8.034 1.00 0.00 C ATOM 1004 OE1 GLN A 61 15.864 0.392 -8.614 1.00 0.00 O ATOM 1005 NE2 GLN A 61 16.613 2.442 -8.644 1.00 0.00 N ATOM 0 H GLN A 61 13.363 0.960 -4.880 1.00 0.00 H new ATOM 0 HA GLN A 61 14.059 -0.461 -7.296 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.624 0.398 -4.811 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.380 -0.338 -6.210 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.564 2.073 -6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.223 2.306 -6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 61 16.752 3.328 -8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.931 2.334 -9.607 1.00 0.00 H new ATOM 1014 N LEU A 62 14.245 -2.101 -4.435 1.00 0.00 N ATOM 1015 CA LEU A 62 14.347 -3.494 -3.885 1.00 0.00 C ATOM 1016 C LEU A 62 13.483 -4.417 -4.740 1.00 0.00 C ATOM 1017 O LEU A 62 13.829 -5.552 -4.999 1.00 0.00 O ATOM 1018 CB LEU A 62 13.839 -3.588 -2.432 1.00 0.00 C ATOM 1019 CG LEU A 62 13.273 -2.256 -1.943 1.00 0.00 C ATOM 1020 CD1 LEU A 62 11.972 -1.962 -2.697 1.00 0.00 C ATOM 1021 CD2 LEU A 62 12.976 -2.356 -0.445 1.00 0.00 C ATOM 0 H LEU A 62 14.132 -1.366 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 62 15.399 -3.780 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.069 -4.357 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.656 -3.897 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 62 13.993 -1.458 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.560 -1.013 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.176 -1.905 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.253 -2.759 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.572 -1.408 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.249 -3.149 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.896 -2.583 0.094 1.00 0.00 H new ATOM 1033 N THR A 63 12.356 -3.930 -5.176 1.00 0.00 N ATOM 1034 CA THR A 63 11.452 -4.759 -6.012 1.00 0.00 C ATOM 1035 C THR A 63 10.959 -3.917 -7.185 1.00 0.00 C ATOM 1036 O THR A 63 9.799 -3.586 -7.264 1.00 0.00 O ATOM 1037 CB THR A 63 10.260 -5.234 -5.167 1.00 0.00 C ATOM 1038 OG1 THR A 63 9.130 -5.410 -6.008 1.00 0.00 O ATOM 1039 CG2 THR A 63 9.937 -4.200 -4.080 1.00 0.00 C ATOM 0 H THR A 63 12.022 -2.985 -4.986 1.00 0.00 H new ATOM 0 HA THR A 63 11.986 -5.632 -6.387 1.00 0.00 H new ATOM 0 HB THR A 63 10.514 -6.180 -4.689 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.957 -4.581 -6.501 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.091 -4.547 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.804 -4.070 -3.433 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.686 -3.247 -4.547 1.00 0.00 H new ATOM 1047 N GLU A 64 11.853 -3.568 -8.083 1.00 0.00 N ATOM 1048 CA GLU A 64 11.486 -2.731 -9.272 1.00 0.00 C ATOM 1049 C GLU A 64 10.007 -2.901 -9.622 1.00 0.00 C ATOM 1050 O GLU A 64 9.539 -3.992 -9.882 1.00 0.00 O ATOM 1051 CB GLU A 64 12.337 -3.157 -10.470 1.00 0.00 C ATOM 1052 CG GLU A 64 13.292 -2.022 -10.847 1.00 0.00 C ATOM 1053 CD GLU A 64 14.659 -2.274 -10.209 1.00 0.00 C ATOM 1054 OE1 GLU A 64 14.800 -3.279 -9.533 1.00 0.00 O ATOM 1055 OE2 GLU A 64 15.543 -1.456 -10.408 1.00 0.00 O ATOM 0 H GLU A 64 12.837 -3.833 -8.041 1.00 0.00 H new ATOM 0 HA GLU A 64 11.670 -1.684 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.902 -4.057 -10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.696 -3.403 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.390 -1.960 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.891 -1.067 -10.508 1.00 0.00 H new ATOM 1062 N ASN A 65 9.267 -1.827 -9.622 1.00 0.00 N ATOM 1063 CA ASN A 65 7.818 -1.920 -9.946 1.00 0.00 C ATOM 1064 C ASN A 65 7.075 -2.526 -8.754 1.00 0.00 C ATOM 1065 O ASN A 65 5.986 -3.049 -8.892 1.00 0.00 O ATOM 1066 CB ASN A 65 7.624 -2.810 -11.176 1.00 0.00 C ATOM 1067 CG ASN A 65 6.779 -2.070 -12.214 1.00 0.00 C ATOM 1068 OD1 ASN A 65 5.805 -1.299 -11.815 1.00 0.00 O flip ATOM 1069 ND2 ASN A 65 7.007 -2.194 -13.401 1.00 0.00 N flip ATOM 0 H ASN A 65 9.605 -0.888 -9.411 1.00 0.00 H new ATOM 0 HA ASN A 65 7.425 -0.925 -10.156 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.592 -3.076 -11.602 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.135 -3.741 -10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.768 -2.797 -13.714 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.437 -1.696 -14.085 1.00 0.00 H new ATOM 1076 N GLY A 66 7.651 -2.462 -7.583 1.00 0.00 N ATOM 1077 CA GLY A 66 6.969 -3.036 -6.391 1.00 0.00 C ATOM 1078 C GLY A 66 6.102 -1.959 -5.740 1.00 0.00 C ATOM 1079 O GLY A 66 4.922 -2.143 -5.519 1.00 0.00 O ATOM 0 H GLY A 66 8.561 -2.038 -7.403 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.354 -3.887 -6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.706 -3.406 -5.678 1.00 0.00 H new ATOM 1083 N ALA A 67 6.688 -0.842 -5.418 1.00 0.00 N ATOM 1084 CA ALA A 67 5.925 0.249 -4.768 1.00 0.00 C ATOM 1085 C ALA A 67 5.134 1.048 -5.807 1.00 0.00 C ATOM 1086 O ALA A 67 4.112 1.629 -5.505 1.00 0.00 O ATOM 1087 CB ALA A 67 6.903 1.174 -4.049 1.00 0.00 C ATOM 0 H ALA A 67 7.674 -0.639 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 67 5.221 -0.182 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.352 1.981 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.452 0.609 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.604 1.594 -4.770 1.00 0.00 H new ATOM 1093 N GLU A 68 5.596 1.092 -7.025 1.00 0.00 N ATOM 1094 CA GLU A 68 4.874 1.857 -8.064 1.00 0.00 C ATOM 1095 C GLU A 68 3.527 1.181 -8.359 1.00 0.00 C ATOM 1096 O GLU A 68 2.598 1.806 -8.831 1.00 0.00 O ATOM 1097 CB GLU A 68 5.770 1.935 -9.318 1.00 0.00 C ATOM 1098 CG GLU A 68 5.114 1.238 -10.511 1.00 0.00 C ATOM 1099 CD GLU A 68 3.990 2.114 -11.066 1.00 0.00 C ATOM 1100 OE1 GLU A 68 4.177 3.318 -11.122 1.00 0.00 O ATOM 1101 OE2 GLU A 68 2.961 1.566 -11.426 1.00 0.00 O ATOM 0 H GLU A 68 6.447 0.627 -7.341 1.00 0.00 H new ATOM 0 HA GLU A 68 4.660 2.871 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.964 2.979 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.734 1.472 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.856 1.048 -11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.717 0.270 -10.205 1.00 0.00 H new ATOM 1108 N SER A 69 3.420 -0.090 -8.090 1.00 0.00 N ATOM 1109 CA SER A 69 2.142 -0.807 -8.359 1.00 0.00 C ATOM 1110 C SER A 69 1.142 -0.548 -7.225 1.00 0.00 C ATOM 1111 O SER A 69 0.050 -0.052 -7.445 1.00 0.00 O ATOM 1112 CB SER A 69 2.419 -2.306 -8.464 1.00 0.00 C ATOM 1113 OG SER A 69 1.625 -2.859 -9.505 1.00 0.00 O ATOM 0 H SER A 69 4.164 -0.665 -7.695 1.00 0.00 H new ATOM 0 HA SER A 69 1.717 -0.443 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.476 -2.479 -8.666 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.191 -2.797 -7.518 1.00 0.00 H new ATOM 0 HG SER A 69 2.147 -3.528 -9.995 1.00 0.00 H new ATOM 1119 N VAL A 70 1.500 -0.876 -6.012 1.00 0.00 N ATOM 1120 CA VAL A 70 0.566 -0.648 -4.878 1.00 0.00 C ATOM 1121 C VAL A 70 0.185 0.824 -4.842 1.00 0.00 C ATOM 1122 O VAL A 70 -0.956 1.177 -4.632 1.00 0.00 O ATOM 1123 CB VAL A 70 1.246 -1.023 -3.566 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.301 -0.725 -2.404 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.589 -2.510 -3.574 1.00 0.00 C ATOM 0 H VAL A 70 2.397 -1.291 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.325 -1.263 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 70 2.161 -0.442 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.784 -0.992 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.056 0.337 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.613 -1.307 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.075 -2.776 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.675 -3.094 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.262 -2.724 -4.404 1.00 0.00 H new ATOM 1135 N LEU A 71 1.136 1.687 -5.054 1.00 0.00 N ATOM 1136 CA LEU A 71 0.835 3.141 -5.044 1.00 0.00 C ATOM 1137 C LEU A 71 -0.149 3.446 -6.164 1.00 0.00 C ATOM 1138 O LEU A 71 -1.076 4.197 -5.992 1.00 0.00 O ATOM 1139 CB LEU A 71 2.113 3.927 -5.288 1.00 0.00 C ATOM 1140 CG LEU A 71 1.774 5.407 -5.476 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.377 6.017 -4.130 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.997 6.143 -6.028 1.00 0.00 C ATOM 0 H LEU A 71 2.111 1.447 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 71 0.411 3.420 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.795 3.803 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.624 3.545 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 71 0.944 5.503 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.136 7.071 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.506 5.493 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.206 5.922 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.757 7.198 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.827 6.046 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.280 5.710 -6.988 1.00 0.00 H new ATOM 1154 N GLN A 72 0.046 2.863 -7.313 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.890 3.118 -8.441 1.00 0.00 C ATOM 1156 C GLN A 72 -2.291 2.709 -8.004 1.00 0.00 C ATOM 1157 O GLN A 72 -3.276 3.311 -8.375 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.432 2.300 -9.669 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.506 1.292 -10.114 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.044 0.580 -11.385 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.368 1.162 -12.210 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -1.383 -0.665 -11.580 1.00 0.00 N ATOM 0 H GLN A 72 0.812 2.222 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.897 4.173 -8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.204 2.977 -10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.489 1.768 -9.429 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.687 0.565 -9.323 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.450 1.807 -10.296 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.950 -1.154 -10.887 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.080 -1.150 -12.425 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.374 1.675 -7.228 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.688 1.191 -6.760 1.00 0.00 C ATOM 1173 C VAL A 73 -4.217 2.108 -5.653 1.00 0.00 C ATOM 1174 O VAL A 73 -5.408 2.262 -5.482 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.504 -0.221 -6.221 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.761 -0.670 -5.482 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.202 -1.167 -7.390 1.00 0.00 C ATOM 0 H VAL A 73 -1.574 1.138 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.406 1.192 -7.580 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.671 -0.239 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.618 -1.681 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.955 0.007 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.609 -0.657 -6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.069 -2.181 -7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.032 -1.149 -8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.290 -0.844 -7.893 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.347 2.708 -4.891 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.819 3.602 -3.792 1.00 0.00 C ATOM 1189 C PHE A 74 -4.282 4.945 -4.374 1.00 0.00 C ATOM 1190 O PHE A 74 -5.241 5.536 -3.915 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.678 3.830 -2.793 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.739 2.774 -1.717 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.731 2.834 -0.733 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.809 1.729 -1.710 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.792 1.849 0.260 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.869 0.745 -0.716 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.861 0.805 0.268 1.00 0.00 C ATOM 0 H PHE A 74 -2.335 2.621 -4.979 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.658 3.132 -3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.717 3.788 -3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.760 4.822 -2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.450 3.640 -0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.045 1.681 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.558 1.895 1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.149 -0.060 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.908 0.045 1.034 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.619 5.419 -5.389 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.012 6.703 -6.017 1.00 0.00 C ATOM 1209 C ARG A 75 -5.176 6.438 -6.954 1.00 0.00 C ATOM 1210 O ARG A 75 -6.058 7.251 -7.119 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.844 7.252 -6.821 1.00 0.00 C ATOM 1212 CG ARG A 75 -1.876 7.991 -5.894 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.213 9.486 -5.897 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.230 10.232 -6.737 1.00 0.00 N ATOM 1215 CZ ARG A 75 0.035 9.908 -6.721 1.00 0.00 C ATOM 1216 NH1 ARG A 75 0.767 10.192 -5.680 1.00 0.00 N ATOM 1217 NH2 ARG A 75 0.566 9.300 -7.747 1.00 0.00 N ATOM 0 H ARG A 75 -2.811 4.963 -5.814 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.295 7.424 -5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.326 6.438 -7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.209 7.928 -7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.948 7.592 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.849 7.837 -6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.221 9.639 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.199 9.872 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.549 11.000 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.352 10.667 -4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.755 9.939 -5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.007 9.078 -8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.554 9.047 -7.735 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.177 5.285 -7.558 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.280 4.913 -8.476 1.00 0.00 C ATOM 1233 C GLU A 76 -7.540 4.795 -7.635 1.00 0.00 C ATOM 1234 O GLU A 76 -8.575 5.333 -7.963 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.958 3.565 -9.104 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.206 3.763 -10.422 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.207 3.855 -11.574 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.237 3.205 -11.492 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.928 4.574 -12.520 1.00 0.00 O ATOM 0 H GLU A 76 -4.450 4.577 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.411 5.653 -9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.354 2.971 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.879 3.009 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.604 4.671 -10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.519 2.933 -10.589 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.437 4.114 -6.524 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.596 3.981 -5.618 1.00 0.00 C ATOM 1248 C ALA A 77 -8.919 5.373 -5.103 1.00 0.00 C ATOM 1249 O ALA A 77 -10.065 5.752 -4.963 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.239 3.062 -4.450 1.00 0.00 C ATOM 0 H ALA A 77 -6.588 3.643 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.452 3.551 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.098 2.968 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.966 2.078 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.398 3.484 -3.899 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.903 6.158 -4.860 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.137 7.548 -4.399 1.00 0.00 C ATOM 1258 C LYS A 78 -8.905 8.267 -5.496 1.00 0.00 C ATOM 1259 O LYS A 78 -9.676 9.176 -5.263 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.793 8.237 -4.224 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.817 9.116 -2.973 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.368 10.498 -3.331 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.229 11.390 -3.828 1.00 0.00 C ATOM 1264 NZ LYS A 78 -5.632 12.121 -2.675 1.00 0.00 N ATOM 0 H LYS A 78 -6.923 5.892 -4.962 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.687 7.559 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.001 7.493 -4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.569 8.844 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.435 8.654 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.812 9.209 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.135 10.407 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.843 10.949 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.469 10.786 -4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.603 12.098 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.857 12.728 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.360 12.709 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.261 11.437 -1.985 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.669 7.847 -6.701 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.327 8.453 -7.875 1.00 0.00 C ATOM 1280 C ALA A 79 -10.739 7.893 -8.005 1.00 0.00 C ATOM 1281 O ALA A 79 -11.633 8.520 -8.538 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.516 8.068 -9.105 1.00 0.00 C ATOM 0 H ALA A 79 -8.028 7.086 -6.924 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.382 9.537 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.975 8.500 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.498 8.445 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.493 6.982 -9.200 1.00 0.00 H new ATOM 1288 N GLU A 80 -10.925 6.700 -7.532 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.246 6.038 -7.617 1.00 0.00 C ATOM 1290 C GLU A 80 -13.240 6.693 -6.653 1.00 0.00 C ATOM 1291 O GLU A 80 -14.388 6.302 -6.575 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.066 4.562 -7.261 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.736 3.785 -8.534 1.00 0.00 C ATOM 1294 CD GLU A 80 -12.981 3.042 -9.022 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.366 2.083 -8.374 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.529 3.446 -10.034 1.00 0.00 O ATOM 0 H GLU A 80 -10.200 6.144 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.643 6.137 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.266 4.445 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.975 4.170 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.382 4.467 -9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.930 3.077 -8.341 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.816 7.686 -5.921 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.746 8.357 -4.971 1.00 0.00 C ATOM 1305 C GLY A 81 -13.275 8.104 -3.540 1.00 0.00 C ATOM 1306 O GLY A 81 -13.397 8.950 -2.677 1.00 0.00 O ATOM 0 H GLY A 81 -11.868 8.061 -5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.779 9.428 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.759 7.977 -5.105 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.733 6.947 -3.284 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.248 6.639 -1.914 1.00 0.00 C ATOM 1312 C CYS A 82 -11.398 7.807 -1.408 1.00 0.00 C ATOM 1313 O CYS A 82 -10.897 8.599 -2.181 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.404 5.368 -1.958 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.474 3.923 -1.746 1.00 0.00 S ATOM 0 H CYS A 82 -12.605 6.201 -3.967 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.094 6.490 -1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.873 5.304 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.649 5.393 -1.172 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.091 3.249 -0.703 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.237 7.928 -0.119 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.429 9.053 0.424 1.00 0.00 C ATOM 1323 C ASP A 83 -9.110 8.525 0.997 1.00 0.00 C ATOM 1324 O ASP A 83 -8.871 8.587 2.187 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.223 9.750 1.527 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.638 11.140 1.781 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.975 11.653 0.894 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -10.863 11.668 2.857 1.00 0.00 O ATOM 0 H ASP A 83 -11.630 7.297 0.580 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.208 9.759 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.271 9.833 1.238 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.191 9.158 2.442 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.247 8.017 0.159 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.940 7.499 0.655 1.00 0.00 C ATOM 1335 C ILE A 84 -5.890 8.609 0.551 1.00 0.00 C ATOM 1336 O ILE A 84 -5.170 8.705 -0.423 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.497 6.318 -0.203 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.402 5.124 0.065 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.056 5.948 0.143 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.901 4.583 -1.268 1.00 0.00 C ATOM 0 H ILE A 84 -8.391 7.938 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.047 7.178 1.691 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.561 6.593 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.857 4.351 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.243 5.420 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.740 5.104 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.405 6.801 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.993 5.675 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.551 3.726 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.458 5.361 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.051 4.275 -1.877 1.00 0.00 H new ATOM 1352 N THR A 85 -5.796 9.448 1.543 1.00 0.00 N ATOM 1353 CA THR A 85 -4.794 10.550 1.498 1.00 0.00 C ATOM 1354 C THR A 85 -3.419 9.980 1.143 1.00 0.00 C ATOM 1355 O THR A 85 -2.718 9.457 1.986 1.00 0.00 O ATOM 1356 CB THR A 85 -4.723 11.232 2.867 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.972 11.845 3.153 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.621 12.293 2.854 1.00 0.00 C ATOM 0 H THR A 85 -6.371 9.419 2.385 1.00 0.00 H new ATOM 0 HA THR A 85 -5.091 11.277 0.743 1.00 0.00 H new ATOM 0 HB THR A 85 -4.499 10.490 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.929 12.281 4.030 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.571 12.778 3.829 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.664 11.821 2.634 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.842 13.038 2.089 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.027 10.079 -0.097 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.697 9.544 -0.503 1.00 0.00 C ATOM 1368 C ILE A 86 -0.599 10.475 0.011 1.00 0.00 C ATOM 1369 O ILE A 86 -0.552 11.641 -0.329 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.625 9.464 -2.028 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.749 8.562 -2.540 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.274 8.882 -2.447 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.440 7.109 -2.181 1.00 0.00 C ATOM 0 H ILE A 86 -3.570 10.507 -0.847 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.559 8.549 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.735 10.463 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.700 8.862 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.851 8.667 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.224 8.825 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.528 9.522 -2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.162 7.883 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.241 6.466 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.498 6.813 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.360 7.011 -1.098 1.00 0.00 H new ATOM 1385 N ILE A 87 0.287 9.973 0.827 1.00 0.00 N ATOM 1386 CA ILE A 87 1.378 10.837 1.357 1.00 0.00 C ATOM 1387 C ILE A 87 2.733 10.240 0.974 1.00 0.00 C ATOM 1388 O ILE A 87 3.280 9.412 1.676 1.00 0.00 O ATOM 1389 CB ILE A 87 1.264 10.923 2.880 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.009 11.686 3.251 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.480 11.659 3.443 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.138 11.755 4.774 1.00 0.00 C ATOM 0 H ILE A 87 0.302 9.005 1.148 1.00 0.00 H new ATOM 0 HA ILE A 87 1.292 11.837 0.931 1.00 0.00 H new ATOM 0 HB ILE A 87 1.223 9.918 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.022 12.692 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.880 11.190 2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.398 11.720 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.388 11.118 3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.522 12.665 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.045 12.299 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.189 10.745 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.728 12.270 5.190 1.00 0.00 H new ATOM 1404 N LEU A 88 3.279 10.654 -0.137 1.00 0.00 N ATOM 1405 CA LEU A 88 4.598 10.114 -0.569 1.00 0.00 C ATOM 1406 C LEU A 88 5.717 10.871 0.148 1.00 0.00 C ATOM 1407 O LEU A 88 5.743 12.085 0.170 1.00 0.00 O ATOM 1408 CB LEU A 88 4.750 10.289 -2.081 1.00 0.00 C ATOM 1409 CG LEU A 88 4.472 8.958 -2.780 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.069 8.981 -3.387 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.502 8.741 -3.889 1.00 0.00 C ATOM 0 H LEU A 88 2.867 11.344 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 88 4.658 9.055 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.059 11.052 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.757 10.633 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 88 4.540 8.147 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.872 8.032 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.334 9.136 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.999 9.792 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.305 7.792 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.434 9.553 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.503 8.723 -3.458 1.00 0.00 H new ATOM 1423 N SER A 89 6.642 10.163 0.736 1.00 0.00 N ATOM 1424 CA SER A 89 7.758 10.844 1.452 1.00 0.00 C ATOM 1425 C SER A 89 9.021 10.797 0.590 1.00 0.00 C ATOM 1426 O SER A 89 9.661 9.758 0.569 1.00 0.00 O ATOM 1427 CB SER A 89 8.020 10.133 2.780 1.00 0.00 C ATOM 1428 OG SER A 89 8.955 10.887 3.540 1.00 0.00 O ATOM 1429 OXT SER A 89 9.327 11.800 -0.033 1.00 0.00 O ATOM 0 H SER A 89 6.673 9.144 0.752 1.00 0.00 H new ATOM 0 HA SER A 89 7.487 11.882 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.089 10.021 3.335 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.406 9.130 2.599 1.00 0.00 H new ATOM 0 HG SER A 89 9.124 10.435 4.393 1.00 0.00 H new TER 1435 SER A 89