USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 779 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 61 LYS NZ :NH3+ -154:sc= -0.214 (180deg=-0.561) USER MOD Set 1.2: A 84 TYR OH : rot 15:sc= -1.14 USER MOD Set 2.1: A 17 THR OG1 : rot 151:sc= 0.378 USER MOD Set 2.2: A 20 SER OG : rot 71:sc= 0.892 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 140:sc= -4.44! USER MOD Single : A 13 HIS : no HD1:sc= -0.238 X(o=-0.24,f=0.031) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HE2:sc= -3.13! C(o=-4.2!,f=-3.1!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -16:sc= 0.995 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -55:sc= 0.303 USER MOD Single : A 30 SER OG : rot 160:sc= -0.442 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.637 F(o=-1.7,f=-0.64) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -118:sc= -0.7 (180deg=-2.66!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 55:sc= -0.102 USER MOD Single : A 58 SER OG : rot 53:sc= 0.72 USER MOD Single : A 62 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=-0.28) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 67 ASN : amide:sc= -0.991 K(o=-0.99,f=-2.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.333 F(o=-1.6!,f=-0.33) USER MOD Single : A 98 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.042) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.005 -5.344 -2.925 1.00 0.00 N ATOM 2 CA GLY A 1 -28.061 -6.121 -3.710 1.00 0.00 C ATOM 3 C GLY A 1 -26.870 -6.563 -2.856 1.00 0.00 C ATOM 4 O GLY A 1 -26.192 -5.732 -2.255 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.803 -5.056 -3.527 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.357 -5.921 -2.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.531 -4.497 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.561 -6.997 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.708 -5.527 -4.553 1.00 0.00 H new ATOM 8 N SER A 2 -26.653 -7.869 -2.831 1.00 0.00 N ATOM 9 CA SER A 2 -25.557 -8.431 -2.061 1.00 0.00 C ATOM 10 C SER A 2 -24.567 -9.132 -2.994 1.00 0.00 C ATOM 11 O SER A 2 -24.947 -9.606 -4.064 1.00 0.00 O ATOM 12 CB SER A 2 -26.071 -9.408 -1.002 1.00 0.00 C ATOM 13 OG SER A 2 -25.566 -9.104 0.295 1.00 0.00 O ATOM 0 H SER A 2 -27.218 -8.555 -3.332 1.00 0.00 H new ATOM 0 HA SER A 2 -25.048 -7.616 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.160 -9.381 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.782 -10.423 -1.275 1.00 0.00 H new ATOM 0 HG SER A 2 -25.919 -9.749 0.943 1.00 0.00 H new ATOM 19 N SER A 3 -23.318 -9.175 -2.555 1.00 0.00 N ATOM 20 CA SER A 3 -22.271 -9.810 -3.338 1.00 0.00 C ATOM 21 C SER A 3 -21.367 -10.642 -2.426 1.00 0.00 C ATOM 22 O SER A 3 -21.224 -10.338 -1.242 1.00 0.00 O ATOM 23 CB SER A 3 -21.445 -8.771 -4.099 1.00 0.00 C ATOM 24 OG SER A 3 -21.886 -8.622 -5.446 1.00 0.00 O ATOM 0 H SER A 3 -23.007 -8.781 -1.667 1.00 0.00 H new ATOM 0 HA SER A 3 -22.742 -10.467 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.510 -7.811 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.396 -9.066 -4.091 1.00 0.00 H new ATOM 0 HG SER A 3 -21.335 -7.949 -5.898 1.00 0.00 H new ATOM 30 N GLY A 4 -20.781 -11.676 -3.010 1.00 0.00 N ATOM 31 CA GLY A 4 -19.895 -12.554 -2.265 1.00 0.00 C ATOM 32 C GLY A 4 -19.692 -13.881 -3.000 1.00 0.00 C ATOM 33 O GLY A 4 -20.660 -14.548 -3.362 1.00 0.00 O ATOM 0 H GLY A 4 -20.902 -11.926 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.932 -12.065 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.312 -12.742 -1.276 1.00 0.00 H new ATOM 37 N SER A 5 -18.428 -14.223 -3.198 1.00 0.00 N ATOM 38 CA SER A 5 -18.085 -15.458 -3.884 1.00 0.00 C ATOM 39 C SER A 5 -16.726 -15.966 -3.399 1.00 0.00 C ATOM 40 O SER A 5 -15.885 -15.181 -2.964 1.00 0.00 O ATOM 41 CB SER A 5 -18.067 -15.259 -5.401 1.00 0.00 C ATOM 42 OG SER A 5 -18.248 -16.487 -6.102 1.00 0.00 O ATOM 0 H SER A 5 -17.628 -13.667 -2.896 1.00 0.00 H new ATOM 0 HA SER A 5 -18.848 -16.201 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.854 -14.560 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.119 -14.809 -5.697 1.00 0.00 H new ATOM 0 HG SER A 5 -18.232 -16.318 -7.067 1.00 0.00 H new ATOM 48 N SER A 6 -16.553 -17.276 -3.489 1.00 0.00 N ATOM 49 CA SER A 6 -15.310 -17.898 -3.065 1.00 0.00 C ATOM 50 C SER A 6 -14.515 -18.365 -4.287 1.00 0.00 C ATOM 51 O SER A 6 -14.982 -18.245 -5.418 1.00 0.00 O ATOM 52 CB SER A 6 -15.576 -19.075 -2.125 1.00 0.00 C ATOM 53 OG SER A 6 -16.413 -20.060 -2.725 1.00 0.00 O ATOM 0 H SER A 6 -17.253 -17.924 -3.849 1.00 0.00 H new ATOM 0 HA SER A 6 -14.725 -17.157 -2.520 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.628 -19.531 -1.838 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.044 -18.710 -1.211 1.00 0.00 H new ATOM 0 HG SER A 6 -16.557 -20.795 -2.093 1.00 0.00 H new ATOM 59 N GLY A 7 -13.328 -18.886 -4.016 1.00 0.00 N ATOM 60 CA GLY A 7 -12.463 -19.370 -5.078 1.00 0.00 C ATOM 61 C GLY A 7 -11.482 -18.285 -5.525 1.00 0.00 C ATOM 62 O GLY A 7 -11.852 -17.118 -5.640 1.00 0.00 O ATOM 0 H GLY A 7 -12.945 -18.984 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.911 -20.244 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.068 -19.690 -5.927 1.00 0.00 H new ATOM 66 N GLU A 8 -10.249 -18.708 -5.764 1.00 0.00 N ATOM 67 CA GLU A 8 -9.212 -17.787 -6.195 1.00 0.00 C ATOM 68 C GLU A 8 -8.998 -16.698 -5.142 1.00 0.00 C ATOM 69 O GLU A 8 -9.437 -15.562 -5.319 1.00 0.00 O ATOM 70 CB GLU A 8 -9.553 -17.175 -7.555 1.00 0.00 C ATOM 71 CG GLU A 8 -9.796 -18.264 -8.601 1.00 0.00 C ATOM 72 CD GLU A 8 -11.292 -18.535 -8.773 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.898 -17.854 -9.628 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.796 -19.418 -8.045 1.00 0.00 O ATOM 0 H GLU A 8 -9.945 -19.677 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.282 -18.344 -6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.441 -16.549 -7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.739 -16.528 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.366 -17.959 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.289 -19.181 -8.301 1.00 0.00 H new ATOM 81 N GLU A 9 -8.323 -17.082 -4.068 1.00 0.00 N ATOM 82 CA GLU A 9 -8.046 -16.152 -2.986 1.00 0.00 C ATOM 83 C GLU A 9 -6.536 -16.009 -2.783 1.00 0.00 C ATOM 84 O GLU A 9 -5.789 -16.970 -2.958 1.00 0.00 O ATOM 85 CB GLU A 9 -8.733 -16.595 -1.693 1.00 0.00 C ATOM 86 CG GLU A 9 -10.256 -16.533 -1.832 1.00 0.00 C ATOM 87 CD GLU A 9 -10.905 -17.826 -1.333 1.00 0.00 C ATOM 88 OE1 GLU A 9 -10.292 -18.465 -0.450 1.00 0.00 O ATOM 89 OE2 GLU A 9 -11.999 -18.146 -1.845 1.00 0.00 O ATOM 0 H GLU A 9 -7.960 -18.024 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.451 -15.177 -3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.428 -17.612 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.413 -15.956 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.642 -15.686 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.523 -16.367 -2.876 1.00 0.00 H new ATOM 96 N ILE A 10 -6.133 -14.801 -2.418 1.00 0.00 N ATOM 97 CA ILE A 10 -4.726 -14.520 -2.189 1.00 0.00 C ATOM 98 C ILE A 10 -4.595 -13.393 -1.163 1.00 0.00 C ATOM 99 O ILE A 10 -5.598 -12.863 -0.687 1.00 0.00 O ATOM 100 CB ILE A 10 -4.015 -14.231 -3.513 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.507 -14.458 -3.388 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.343 -12.823 -4.016 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.969 -15.240 -4.587 1.00 0.00 C ATOM 0 H ILE A 10 -6.756 -14.006 -2.275 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.227 -15.393 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.385 -14.934 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.996 -13.498 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.293 -15.002 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.825 -12.643 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.418 -12.733 -4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.020 -12.089 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.895 -15.388 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.465 -16.209 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.163 -14.681 -5.503 1.00 0.00 H new ATOM 115 N PHE A 11 -3.351 -13.059 -0.852 1.00 0.00 N ATOM 116 CA PHE A 11 -3.077 -12.005 0.109 1.00 0.00 C ATOM 117 C PHE A 11 -2.238 -10.892 -0.522 1.00 0.00 C ATOM 118 O PHE A 11 -1.294 -11.165 -1.262 1.00 0.00 O ATOM 119 CB PHE A 11 -2.283 -12.638 1.254 1.00 0.00 C ATOM 120 CG PHE A 11 -3.150 -13.121 2.419 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.758 -12.218 3.234 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.311 -14.453 2.640 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.562 -12.666 4.315 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.115 -14.901 3.721 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.723 -13.998 4.536 1.00 0.00 C ATOM 0 H PHE A 11 -2.521 -13.500 -1.249 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.013 -11.566 0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.713 -13.481 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.562 -11.911 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.629 -11.160 3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.827 -15.170 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.046 -11.949 4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.244 -15.959 3.896 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.334 -14.339 5.359 1.00 0.00 H new ATOM 135 N CYS A 12 -2.614 -9.661 -0.208 1.00 0.00 N ATOM 136 CA CYS A 12 -1.908 -8.505 -0.735 1.00 0.00 C ATOM 137 C CYS A 12 -1.172 -7.824 0.420 1.00 0.00 C ATOM 138 O CYS A 12 -1.791 -7.419 1.402 1.00 0.00 O ATOM 139 CB CYS A 12 -2.856 -7.543 -1.455 1.00 0.00 C ATOM 140 SG CYS A 12 -2.013 -5.949 -1.764 1.00 0.00 S ATOM 0 H CYS A 12 -3.399 -9.439 0.405 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.185 -8.827 -1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.183 -7.980 -2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.749 -7.381 -0.852 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.333 -5.511 -2.945 1.00 0.00 H new ATOM 146 N HIS A 13 0.140 -7.718 0.263 1.00 0.00 N ATOM 147 CA HIS A 13 0.967 -7.092 1.280 1.00 0.00 C ATOM 148 C HIS A 13 1.093 -5.595 0.990 1.00 0.00 C ATOM 149 O HIS A 13 1.687 -5.201 -0.012 1.00 0.00 O ATOM 150 CB HIS A 13 2.323 -7.792 1.384 1.00 0.00 C ATOM 151 CG HIS A 13 2.261 -9.163 2.015 1.00 0.00 C ATOM 152 ND1 HIS A 13 2.649 -10.313 1.350 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.852 -9.555 3.256 1.00 0.00 C ATOM 154 CE1 HIS A 13 2.477 -11.344 2.163 1.00 0.00 C ATOM 155 NE2 HIS A 13 1.982 -10.873 3.343 1.00 0.00 N ATOM 0 H HIS A 13 0.650 -8.055 -0.553 1.00 0.00 H new ATOM 0 HA HIS A 13 0.493 -7.199 2.256 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.751 -7.882 0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.000 -7.166 1.966 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.485 -8.904 4.035 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.691 -12.377 1.932 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.750 -11.440 4.158 1.00 0.00 H new ATOM 163 N VAL A 14 0.524 -4.802 1.886 1.00 0.00 N ATOM 164 CA VAL A 14 0.565 -3.357 1.739 1.00 0.00 C ATOM 165 C VAL A 14 1.333 -2.750 2.915 1.00 0.00 C ATOM 166 O VAL A 14 0.782 -2.585 4.002 1.00 0.00 O ATOM 167 CB VAL A 14 -0.855 -2.804 1.604 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.964 -1.412 2.230 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.298 -2.783 0.140 1.00 0.00 C ATOM 0 H VAL A 14 0.032 -5.133 2.716 1.00 0.00 H new ATOM 0 HA VAL A 14 1.095 -3.081 0.827 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.526 -3.469 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.984 -1.042 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.711 -1.468 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.276 -0.732 1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.311 -2.386 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.621 -2.152 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.278 -3.796 -0.261 1.00 0.00 H new ATOM 179 N TYR A 15 2.594 -2.435 2.658 1.00 0.00 N ATOM 180 CA TYR A 15 3.443 -1.851 3.682 1.00 0.00 C ATOM 181 C TYR A 15 3.082 -0.383 3.922 1.00 0.00 C ATOM 182 O TYR A 15 3.052 0.414 2.986 1.00 0.00 O ATOM 183 CB TYR A 15 4.872 -1.929 3.140 1.00 0.00 C ATOM 184 CG TYR A 15 5.550 -3.282 3.367 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.829 -4.449 3.215 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.882 -3.335 3.722 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.466 -5.723 3.428 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.520 -4.609 3.936 1.00 0.00 C ATOM 189 CZ TYR A 15 6.780 -5.739 3.778 1.00 0.00 C ATOM 190 OH TYR A 15 7.383 -6.942 3.979 1.00 0.00 O ATOM 0 H TYR A 15 3.048 -2.573 1.755 1.00 0.00 H new ATOM 0 HA TYR A 15 3.324 -2.381 4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.856 -1.717 2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.471 -1.150 3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.786 -4.407 2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.446 -2.422 3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.913 -6.644 3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.562 -4.665 4.215 1.00 0.00 H new ATOM 0 HH TYR A 15 8.322 -6.801 4.223 1.00 0.00 H new ATOM 200 N ILE A 16 2.816 -0.071 5.182 1.00 0.00 N ATOM 201 CA ILE A 16 2.458 1.286 5.557 1.00 0.00 C ATOM 202 C ILE A 16 3.733 2.091 5.821 1.00 0.00 C ATOM 203 O ILE A 16 3.949 3.136 5.209 1.00 0.00 O ATOM 204 CB ILE A 16 1.482 1.276 6.736 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.340 0.288 6.493 1.00 0.00 C ATOM 206 CG2 ILE A 16 0.968 2.686 7.033 1.00 0.00 C ATOM 207 CD1 ILE A 16 -0.283 -0.166 7.815 1.00 0.00 C ATOM 0 H ILE A 16 2.841 -0.735 5.956 1.00 0.00 H new ATOM 0 HA ILE A 16 1.931 1.781 4.741 1.00 0.00 H new ATOM 0 HB ILE A 16 2.018 0.936 7.622 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.422 0.754 5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.714 -0.578 5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.276 2.651 7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.808 3.335 7.280 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.453 3.078 6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.092 -0.868 7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.476 -0.653 8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.677 0.699 8.348 1.00 0.00 H new ATOM 219 N THR A 17 4.543 1.573 6.733 1.00 0.00 N ATOM 220 CA THR A 17 5.790 2.231 7.085 1.00 0.00 C ATOM 221 C THR A 17 6.982 1.342 6.724 1.00 0.00 C ATOM 222 O THR A 17 7.008 0.737 5.653 1.00 0.00 O ATOM 223 CB THR A 17 5.730 2.593 8.570 1.00 0.00 C ATOM 224 OG1 THR A 17 6.039 1.373 9.238 1.00 0.00 O ATOM 225 CG2 THR A 17 4.311 2.925 9.035 1.00 0.00 C ATOM 0 H THR A 17 4.360 0.706 7.238 1.00 0.00 H new ATOM 0 HA THR A 17 5.927 3.151 6.516 1.00 0.00 H new ATOM 0 HB THR A 17 6.383 3.444 8.762 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.469 1.570 10.096 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.325 3.175 10.096 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.931 3.774 8.467 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.664 2.063 8.874 1.00 0.00 H new ATOM 233 N GLU A 18 7.939 1.291 7.639 1.00 0.00 N ATOM 234 CA GLU A 18 9.131 0.486 7.430 1.00 0.00 C ATOM 235 C GLU A 18 8.881 -0.957 7.873 1.00 0.00 C ATOM 236 O GLU A 18 9.273 -1.899 7.185 1.00 0.00 O ATOM 237 CB GLU A 18 10.332 1.084 8.165 1.00 0.00 C ATOM 238 CG GLU A 18 10.140 1.012 9.681 1.00 0.00 C ATOM 239 CD GLU A 18 11.022 2.038 10.395 1.00 0.00 C ATOM 240 OE1 GLU A 18 12.233 2.058 10.086 1.00 0.00 O ATOM 241 OE2 GLU A 18 10.465 2.779 11.233 1.00 0.00 O ATOM 0 H GLU A 18 7.913 1.794 8.526 1.00 0.00 H new ATOM 0 HA GLU A 18 9.362 0.484 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.238 0.548 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.469 2.122 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.094 1.192 9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.383 0.010 10.035 1.00 0.00 H new ATOM 248 N HIS A 19 8.230 -1.086 9.020 1.00 0.00 N ATOM 249 CA HIS A 19 7.923 -2.399 9.563 1.00 0.00 C ATOM 250 C HIS A 19 6.427 -2.489 9.872 1.00 0.00 C ATOM 251 O HIS A 19 6.036 -3.010 10.915 1.00 0.00 O ATOM 252 CB HIS A 19 8.799 -2.701 10.780 1.00 0.00 C ATOM 253 CG HIS A 19 10.248 -2.315 10.605 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.066 -2.393 9.516 1.00 0.00 N flip ATOM 255 CD2 HIS A 19 11.011 -1.780 11.629 1.00 0.00 C flip ATOM 256 CE1 HIS A 19 12.263 -1.930 9.856 1.00 0.00 C flip ATOM 257 NE2 HIS A 19 12.230 -1.550 11.165 1.00 0.00 N flip ATOM 0 H HIS A 19 7.907 -0.303 9.588 1.00 0.00 H new ATOM 0 HA HIS A 19 8.153 -3.166 8.823 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.395 -2.175 11.645 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.742 -3.767 11.000 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.803 -2.747 8.596 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.670 -1.584 12.635 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.121 -1.865 9.203 1.00 0.00 H new ATOM 265 N SER A 20 5.632 -1.975 8.945 1.00 0.00 N ATOM 266 CA SER A 20 4.188 -1.991 9.105 1.00 0.00 C ATOM 267 C SER A 20 3.517 -2.324 7.771 1.00 0.00 C ATOM 268 O SER A 20 3.947 -1.849 6.721 1.00 0.00 O ATOM 269 CB SER A 20 3.677 -0.650 9.636 1.00 0.00 C ATOM 270 OG SER A 20 4.608 -0.038 10.525 1.00 0.00 O ATOM 0 H SER A 20 5.961 -1.545 8.080 1.00 0.00 H new ATOM 0 HA SER A 20 3.934 -2.760 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.481 0.020 8.799 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.729 -0.802 10.152 1.00 0.00 H new ATOM 0 HG SER A 20 5.385 0.278 10.018 1.00 0.00 H new ATOM 276 N TYR A 21 2.475 -3.138 7.856 1.00 0.00 N ATOM 277 CA TYR A 21 1.741 -3.540 6.668 1.00 0.00 C ATOM 278 C TYR A 21 0.338 -4.031 7.031 1.00 0.00 C ATOM 279 O TYR A 21 -0.044 -4.021 8.200 1.00 0.00 O ATOM 280 CB TYR A 21 2.531 -4.698 6.056 1.00 0.00 C ATOM 281 CG TYR A 21 2.262 -6.052 6.715 1.00 0.00 C ATOM 282 CD1 TYR A 21 2.547 -6.238 8.052 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.733 -7.088 5.972 1.00 0.00 C ATOM 284 CE1 TYR A 21 2.294 -7.513 8.673 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.479 -8.363 6.593 1.00 0.00 C ATOM 286 CZ TYR A 21 1.772 -8.512 7.912 1.00 0.00 C ATOM 287 OH TYR A 21 1.532 -9.716 8.498 1.00 0.00 O ATOM 0 H TYR A 21 2.122 -3.530 8.729 1.00 0.00 H new ATOM 0 HA TYR A 21 1.631 -2.700 5.982 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.291 -4.768 4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.596 -4.476 6.128 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.960 -5.427 8.634 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.510 -6.943 4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.514 -7.672 9.718 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.065 -9.182 6.023 1.00 0.00 H new ATOM 0 HH TYR A 21 1.158 -10.334 7.835 1.00 0.00 H new ATOM 297 N VAL A 22 -0.391 -4.448 6.007 1.00 0.00 N ATOM 298 CA VAL A 22 -1.744 -4.942 6.203 1.00 0.00 C ATOM 299 C VAL A 22 -1.999 -6.111 5.250 1.00 0.00 C ATOM 300 O VAL A 22 -1.751 -6.003 4.049 1.00 0.00 O ATOM 301 CB VAL A 22 -2.748 -3.800 6.030 1.00 0.00 C ATOM 302 CG1 VAL A 22 -2.379 -2.922 4.832 1.00 0.00 C ATOM 303 CG2 VAL A 22 -4.173 -4.339 5.897 1.00 0.00 C ATOM 0 H VAL A 22 -0.071 -4.454 5.039 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.870 -5.317 7.219 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.707 -3.179 6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.108 -2.118 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.388 -2.495 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.378 -3.526 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.867 -3.507 5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.235 -4.993 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.434 -4.901 6.793 1.00 0.00 H new ATOM 313 N SER A 23 -2.490 -7.201 5.820 1.00 0.00 N ATOM 314 CA SER A 23 -2.780 -8.390 5.036 1.00 0.00 C ATOM 315 C SER A 23 -4.201 -8.312 4.475 1.00 0.00 C ATOM 316 O SER A 23 -5.172 -8.528 5.199 1.00 0.00 O ATOM 317 CB SER A 23 -2.610 -9.658 5.875 1.00 0.00 C ATOM 318 OG SER A 23 -3.793 -9.981 6.601 1.00 0.00 O ATOM 0 H SER A 23 -2.695 -7.286 6.816 1.00 0.00 H new ATOM 0 HA SER A 23 -2.071 -8.436 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.346 -10.491 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.783 -9.523 6.572 1.00 0.00 H new ATOM 0 HG SER A 23 -4.388 -9.202 6.621 1.00 0.00 H new ATOM 324 N VAL A 24 -4.280 -8.001 3.189 1.00 0.00 N ATOM 325 CA VAL A 24 -5.566 -7.892 2.522 1.00 0.00 C ATOM 326 C VAL A 24 -5.779 -9.116 1.630 1.00 0.00 C ATOM 327 O VAL A 24 -4.953 -9.411 0.767 1.00 0.00 O ATOM 328 CB VAL A 24 -5.647 -6.571 1.755 1.00 0.00 C ATOM 329 CG1 VAL A 24 -7.005 -6.419 1.067 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.363 -5.383 2.676 1.00 0.00 C ATOM 0 H VAL A 24 -3.473 -7.821 2.591 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.375 -7.878 3.252 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.879 -6.586 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.036 -5.472 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.151 -7.240 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.796 -6.437 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.427 -4.457 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.096 -5.364 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.363 -5.481 3.098 1.00 0.00 H new ATOM 340 N LYS A 25 -6.890 -9.796 1.868 1.00 0.00 N ATOM 341 CA LYS A 25 -7.222 -10.982 1.096 1.00 0.00 C ATOM 342 C LYS A 25 -7.836 -10.560 -0.240 1.00 0.00 C ATOM 343 O LYS A 25 -9.021 -10.240 -0.310 1.00 0.00 O ATOM 344 CB LYS A 25 -8.113 -11.921 1.913 1.00 0.00 C ATOM 345 CG LYS A 25 -7.897 -13.378 1.499 1.00 0.00 C ATOM 346 CD LYS A 25 -8.380 -14.335 2.591 1.00 0.00 C ATOM 347 CE LYS A 25 -7.246 -15.249 3.060 1.00 0.00 C ATOM 348 NZ LYS A 25 -7.423 -16.615 2.519 1.00 0.00 N ATOM 0 H LYS A 25 -7.572 -9.549 2.585 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.322 -11.552 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.894 -11.804 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.159 -11.650 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.432 -13.579 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.839 -13.551 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.765 -13.764 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.205 -14.938 2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.287 -14.844 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.225 -15.283 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.645 -17.222 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.329 -17.005 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.420 -16.580 1.480 1.00 0.00 H new ATOM 362 N ALA A 26 -7.001 -10.573 -1.269 1.00 0.00 N ATOM 363 CA ALA A 26 -7.446 -10.196 -2.600 1.00 0.00 C ATOM 364 C ALA A 26 -7.551 -11.449 -3.472 1.00 0.00 C ATOM 365 O ALA A 26 -7.139 -12.532 -3.060 1.00 0.00 O ATOM 366 CB ALA A 26 -6.487 -9.158 -3.184 1.00 0.00 C ATOM 0 H ALA A 26 -6.018 -10.839 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.435 -9.739 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.821 -8.875 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.471 -8.276 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.484 -9.582 -3.243 1.00 0.00 H new ATOM 372 N LYS A 27 -8.106 -11.259 -4.660 1.00 0.00 N ATOM 373 CA LYS A 27 -8.270 -12.360 -5.594 1.00 0.00 C ATOM 374 C LYS A 27 -7.009 -12.490 -6.450 1.00 0.00 C ATOM 375 O LYS A 27 -6.093 -11.677 -6.339 1.00 0.00 O ATOM 376 CB LYS A 27 -9.552 -12.183 -6.410 1.00 0.00 C ATOM 377 CG LYS A 27 -10.723 -11.776 -5.512 1.00 0.00 C ATOM 378 CD LYS A 27 -11.212 -12.962 -4.678 1.00 0.00 C ATOM 379 CE LYS A 27 -12.206 -12.507 -3.608 1.00 0.00 C ATOM 380 NZ LYS A 27 -12.678 -13.663 -2.813 1.00 0.00 N ATOM 0 H LYS A 27 -8.448 -10.359 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.389 -13.301 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.397 -11.424 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.791 -13.113 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.415 -10.965 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.541 -11.396 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.684 -13.698 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.362 -13.453 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.734 -11.776 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.055 -12.011 -4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.352 -13.336 -2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.147 -14.347 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.867 -14.119 -2.348 1.00 0.00 H new ATOM 394 N VAL A 28 -7.003 -13.518 -7.285 1.00 0.00 N ATOM 395 CA VAL A 28 -5.869 -13.765 -8.160 1.00 0.00 C ATOM 396 C VAL A 28 -5.856 -12.720 -9.277 1.00 0.00 C ATOM 397 O VAL A 28 -4.870 -12.593 -10.001 1.00 0.00 O ATOM 398 CB VAL A 28 -5.916 -15.201 -8.685 1.00 0.00 C ATOM 399 CG1 VAL A 28 -6.989 -15.355 -9.765 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.546 -15.640 -9.206 1.00 0.00 C ATOM 0 H VAL A 28 -7.765 -14.190 -7.375 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.933 -13.665 -7.610 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.182 -15.853 -7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.001 -16.385 -10.121 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.964 -15.104 -9.348 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.767 -14.686 -10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.608 -16.664 -9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.237 -14.981 -10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.816 -15.587 -8.399 1.00 0.00 H new ATOM 410 N SER A 29 -6.963 -11.999 -9.383 1.00 0.00 N ATOM 411 CA SER A 29 -7.091 -10.970 -10.400 1.00 0.00 C ATOM 412 C SER A 29 -7.835 -9.760 -9.830 1.00 0.00 C ATOM 413 O SER A 29 -8.698 -9.188 -10.494 1.00 0.00 O ATOM 414 CB SER A 29 -7.816 -11.504 -11.637 1.00 0.00 C ATOM 415 OG SER A 29 -7.778 -10.579 -12.720 1.00 0.00 O ATOM 0 H SER A 29 -7.779 -12.108 -8.781 1.00 0.00 H new ATOM 0 HA SER A 29 -6.090 -10.664 -10.703 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.359 -12.444 -11.947 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.853 -11.722 -11.383 1.00 0.00 H new ATOM 0 HG SER A 29 -8.143 -9.718 -12.427 1.00 0.00 H new ATOM 421 N SER A 30 -7.474 -9.407 -8.605 1.00 0.00 N ATOM 422 CA SER A 30 -8.096 -8.276 -7.938 1.00 0.00 C ATOM 423 C SER A 30 -7.302 -7.000 -8.220 1.00 0.00 C ATOM 424 O SER A 30 -6.104 -7.058 -8.497 1.00 0.00 O ATOM 425 CB SER A 30 -8.200 -8.515 -6.430 1.00 0.00 C ATOM 426 OG SER A 30 -8.136 -7.298 -5.691 1.00 0.00 O ATOM 0 H SER A 30 -6.758 -9.884 -8.057 1.00 0.00 H new ATOM 0 HA SER A 30 -9.106 -8.161 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.137 -9.025 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.394 -9.176 -6.111 1.00 0.00 H new ATOM 0 HG SER A 30 -8.516 -7.437 -4.799 1.00 0.00 H new ATOM 432 N ILE A 31 -7.999 -5.876 -8.140 1.00 0.00 N ATOM 433 CA ILE A 31 -7.374 -4.588 -8.383 1.00 0.00 C ATOM 434 C ILE A 31 -6.796 -4.051 -7.072 1.00 0.00 C ATOM 435 O ILE A 31 -7.127 -4.544 -5.995 1.00 0.00 O ATOM 436 CB ILE A 31 -8.360 -3.632 -9.058 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.665 -3.541 -8.265 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.601 -4.032 -10.515 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.402 -2.235 -8.569 1.00 0.00 C ATOM 0 H ILE A 31 -8.992 -5.831 -7.910 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.542 -4.694 -9.079 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.918 -2.635 -9.067 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.304 -4.389 -8.511 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.451 -3.602 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.305 -3.337 -10.971 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.658 -4.004 -11.061 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.012 -5.041 -10.552 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.326 -2.196 -7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.770 -1.389 -8.299 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.636 -2.188 -9.633 1.00 0.00 H new ATOM 451 N ALA A 32 -5.942 -3.047 -7.207 1.00 0.00 N ATOM 452 CA ALA A 32 -5.315 -2.437 -6.046 1.00 0.00 C ATOM 453 C ALA A 32 -6.392 -1.800 -5.166 1.00 0.00 C ATOM 454 O ALA A 32 -6.348 -1.917 -3.942 1.00 0.00 O ATOM 455 CB ALA A 32 -4.264 -1.425 -6.506 1.00 0.00 C ATOM 0 H ALA A 32 -5.669 -2.641 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.802 -3.190 -5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.794 -0.968 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.506 -1.933 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.742 -0.652 -7.108 1.00 0.00 H new ATOM 461 N GLN A 33 -7.334 -1.139 -5.823 1.00 0.00 N ATOM 462 CA GLN A 33 -8.420 -0.483 -5.116 1.00 0.00 C ATOM 463 C GLN A 33 -9.037 -1.435 -4.089 1.00 0.00 C ATOM 464 O GLN A 33 -9.332 -1.035 -2.964 1.00 0.00 O ATOM 465 CB GLN A 33 -9.479 0.031 -6.093 1.00 0.00 C ATOM 466 CG GLN A 33 -10.779 0.374 -5.362 1.00 0.00 C ATOM 467 CD GLN A 33 -11.167 1.837 -5.590 1.00 0.00 C ATOM 468 OE1 GLN A 33 -10.386 2.709 -4.958 1.00 0.00 O flip ATOM 469 NE2 GLN A 33 -12.112 2.152 -6.294 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.367 -1.044 -6.838 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.014 0.378 -4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.104 0.915 -6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.674 -0.724 -6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.580 -0.277 -5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.660 0.188 -4.295 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.671 1.431 -6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.344 3.137 -6.426 1.00 0.00 H new ATOM 478 N GLU A 34 -9.214 -2.678 -4.514 1.00 0.00 N ATOM 479 CA GLU A 34 -9.790 -3.691 -3.646 1.00 0.00 C ATOM 480 C GLU A 34 -8.961 -3.829 -2.368 1.00 0.00 C ATOM 481 O GLU A 34 -9.427 -4.392 -1.379 1.00 0.00 O ATOM 482 CB GLU A 34 -9.907 -5.033 -4.372 1.00 0.00 C ATOM 483 CG GLU A 34 -11.088 -5.029 -5.344 1.00 0.00 C ATOM 484 CD GLU A 34 -11.180 -6.357 -6.099 1.00 0.00 C ATOM 485 OE1 GLU A 34 -11.463 -7.373 -5.427 1.00 0.00 O ATOM 486 OE2 GLU A 34 -10.966 -6.327 -7.330 1.00 0.00 O ATOM 0 H GLU A 34 -8.969 -3.006 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.796 -3.376 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.985 -5.238 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.033 -5.835 -3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.014 -4.853 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.977 -4.210 -6.054 1.00 0.00 H new ATOM 493 N ILE A 35 -7.746 -3.304 -2.429 1.00 0.00 N ATOM 494 CA ILE A 35 -6.847 -3.362 -1.289 1.00 0.00 C ATOM 495 C ILE A 35 -6.821 -1.998 -0.596 1.00 0.00 C ATOM 496 O ILE A 35 -6.985 -1.912 0.620 1.00 0.00 O ATOM 497 CB ILE A 35 -5.466 -3.860 -1.719 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.585 -4.977 -2.757 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.635 -4.289 -0.508 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.437 -6.131 -2.225 1.00 0.00 C ATOM 0 H ILE A 35 -7.363 -2.836 -3.251 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.207 -4.085 -0.557 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.938 -3.033 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.030 -4.583 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.592 -5.343 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.658 -4.639 -0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.506 -3.440 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.148 -5.094 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.506 -6.912 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.977 -6.538 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.436 -5.766 -1.988 1.00 0.00 H new ATOM 512 N LEU A 36 -6.613 -0.966 -1.400 1.00 0.00 N ATOM 513 CA LEU A 36 -6.563 0.390 -0.880 1.00 0.00 C ATOM 514 C LEU A 36 -7.851 0.684 -0.109 1.00 0.00 C ATOM 515 O LEU A 36 -7.820 1.334 0.935 1.00 0.00 O ATOM 516 CB LEU A 36 -6.279 1.386 -2.007 1.00 0.00 C ATOM 517 CG LEU A 36 -6.001 2.827 -1.574 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.557 2.986 -1.093 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.344 3.812 -2.693 1.00 0.00 C ATOM 0 H LEU A 36 -6.477 -1.041 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.738 0.498 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.421 1.026 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.132 1.390 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.649 3.061 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.386 4.019 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.382 2.326 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.874 2.726 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.137 4.829 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.739 3.589 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.400 3.721 -2.946 1.00 0.00 H new ATOM 531 N LYS A 37 -8.954 0.191 -0.654 1.00 0.00 N ATOM 532 CA LYS A 37 -10.251 0.393 -0.030 1.00 0.00 C ATOM 533 C LYS A 37 -10.266 -0.293 1.337 1.00 0.00 C ATOM 534 O LYS A 37 -10.936 0.170 2.260 1.00 0.00 O ATOM 535 CB LYS A 37 -11.372 -0.071 -0.963 1.00 0.00 C ATOM 536 CG LYS A 37 -11.273 -1.573 -1.235 1.00 0.00 C ATOM 537 CD LYS A 37 -12.384 -2.336 -0.510 1.00 0.00 C ATOM 538 CE LYS A 37 -12.535 -3.750 -1.072 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.561 -4.502 -0.315 1.00 0.00 N ATOM 0 H LYS A 37 -8.976 -0.347 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.430 1.454 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.340 0.158 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.317 0.477 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.340 -1.757 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.301 -1.942 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.160 -2.386 0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.326 -1.798 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.814 -3.701 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.580 -4.273 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.651 -5.460 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.279 -4.564 0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.475 -4.011 -0.387 1.00 0.00 H new ATOM 553 N VAL A 38 -9.521 -1.384 1.425 1.00 0.00 N ATOM 554 CA VAL A 38 -9.440 -2.138 2.665 1.00 0.00 C ATOM 555 C VAL A 38 -8.392 -1.499 3.578 1.00 0.00 C ATOM 556 O VAL A 38 -8.681 -1.175 4.729 1.00 0.00 O ATOM 557 CB VAL A 38 -9.154 -3.611 2.364 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.345 -4.473 3.614 1.00 0.00 C ATOM 559 CG2 VAL A 38 -10.025 -4.115 1.212 1.00 0.00 C ATOM 0 H VAL A 38 -8.967 -1.765 0.658 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.393 -2.108 3.194 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.112 -3.693 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.136 -5.515 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.663 -4.137 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.373 -4.381 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.802 -5.164 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.077 -4.011 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.818 -3.529 0.316 1.00 0.00 H new ATOM 569 N VAL A 39 -7.197 -1.338 3.030 1.00 0.00 N ATOM 570 CA VAL A 39 -6.104 -0.743 3.781 1.00 0.00 C ATOM 571 C VAL A 39 -6.579 0.565 4.416 1.00 0.00 C ATOM 572 O VAL A 39 -6.474 0.745 5.628 1.00 0.00 O ATOM 573 CB VAL A 39 -4.885 -0.560 2.875 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.772 0.199 3.600 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.381 -1.907 2.354 1.00 0.00 C ATOM 0 H VAL A 39 -6.961 -1.609 2.075 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.794 -1.403 4.591 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.193 0.037 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.917 0.315 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.136 1.182 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.468 -0.359 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.514 -1.748 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.099 -2.540 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.171 -2.394 1.782 1.00 0.00 H new ATOM 585 N ALA A 40 -7.092 1.445 3.568 1.00 0.00 N ATOM 586 CA ALA A 40 -7.583 2.731 4.031 1.00 0.00 C ATOM 587 C ALA A 40 -8.317 2.544 5.361 1.00 0.00 C ATOM 588 O ALA A 40 -8.072 3.276 6.318 1.00 0.00 O ATOM 589 CB ALA A 40 -8.476 3.354 2.956 1.00 0.00 C ATOM 0 H ALA A 40 -7.178 1.292 2.563 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.754 3.417 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.844 4.319 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.901 3.493 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.320 2.694 2.757 1.00 0.00 H new ATOM 595 N GLU A 41 -9.203 1.559 5.377 1.00 0.00 N ATOM 596 CA GLU A 41 -9.974 1.265 6.573 1.00 0.00 C ATOM 597 C GLU A 41 -9.069 0.675 7.657 1.00 0.00 C ATOM 598 O GLU A 41 -9.160 1.057 8.822 1.00 0.00 O ATOM 599 CB GLU A 41 -11.138 0.324 6.258 1.00 0.00 C ATOM 600 CG GLU A 41 -11.840 0.735 4.962 1.00 0.00 C ATOM 601 CD GLU A 41 -13.298 1.117 5.226 1.00 0.00 C ATOM 602 OE1 GLU A 41 -14.038 0.234 5.712 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.640 2.284 4.936 1.00 0.00 O ATOM 0 H GLU A 41 -9.404 0.954 4.581 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.396 2.198 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.770 -0.698 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.852 0.334 7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.315 1.578 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.799 -0.086 4.246 1.00 0.00 H new ATOM 610 N LYS A 42 -8.217 -0.247 7.233 1.00 0.00 N ATOM 611 CA LYS A 42 -7.297 -0.894 8.153 1.00 0.00 C ATOM 612 C LYS A 42 -6.507 0.174 8.912 1.00 0.00 C ATOM 613 O LYS A 42 -6.006 -0.080 10.006 1.00 0.00 O ATOM 614 CB LYS A 42 -6.415 -1.899 7.409 1.00 0.00 C ATOM 615 CG LYS A 42 -6.714 -3.330 7.861 1.00 0.00 C ATOM 616 CD LYS A 42 -8.111 -3.766 7.413 1.00 0.00 C ATOM 617 CE LYS A 42 -8.031 -4.704 6.207 1.00 0.00 C ATOM 618 NZ LYS A 42 -7.137 -5.847 6.497 1.00 0.00 N ATOM 0 H LYS A 42 -8.144 -0.561 6.265 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.845 -1.474 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.582 -1.810 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.365 -1.669 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.968 -4.009 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.639 -3.395 8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.621 -4.268 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.705 -2.889 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.027 -5.069 5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.663 -4.158 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.332 -5.834 5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.787 -5.775 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.663 -6.737 6.382 1.00 0.00 H new ATOM 632 N ILE A 43 -6.419 1.346 8.301 1.00 0.00 N ATOM 633 CA ILE A 43 -5.698 2.453 8.905 1.00 0.00 C ATOM 634 C ILE A 43 -6.695 3.532 9.334 1.00 0.00 C ATOM 635 O ILE A 43 -6.373 4.389 10.156 1.00 0.00 O ATOM 636 CB ILE A 43 -4.609 2.964 7.960 1.00 0.00 C ATOM 637 CG1 ILE A 43 -5.170 4.004 6.988 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.930 1.804 7.229 1.00 0.00 C ATOM 639 CD1 ILE A 43 -4.049 4.655 6.175 1.00 0.00 C ATOM 0 H ILE A 43 -6.835 1.553 7.393 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.178 2.122 9.804 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.844 3.461 8.557 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.884 3.530 6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.714 4.769 7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.160 2.194 6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.474 1.132 7.957 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.671 1.258 6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.475 5.390 5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.350 5.149 6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.523 3.890 5.603 1.00 0.00 H new ATOM 651 N GLN A 44 -7.886 3.455 8.758 1.00 0.00 N ATOM 652 CA GLN A 44 -8.932 4.414 9.070 1.00 0.00 C ATOM 653 C GLN A 44 -8.693 5.724 8.316 1.00 0.00 C ATOM 654 O GLN A 44 -8.615 6.789 8.926 1.00 0.00 O ATOM 655 CB GLN A 44 -9.021 4.657 10.578 1.00 0.00 C ATOM 656 CG GLN A 44 -8.955 3.338 11.351 1.00 0.00 C ATOM 657 CD GLN A 44 -9.368 3.537 12.811 1.00 0.00 C ATOM 658 OE1 GLN A 44 -10.413 3.091 13.253 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.491 4.231 13.531 1.00 0.00 N ATOM 0 H GLN A 44 -8.150 2.743 8.077 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.887 4.000 8.745 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.206 5.309 10.894 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.952 5.174 10.812 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.609 2.604 10.881 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.942 2.937 11.307 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.634 4.576 13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.675 4.418 14.517 1.00 0.00 H new ATOM 668 N TYR A 45 -8.583 5.601 7.001 1.00 0.00 N ATOM 669 CA TYR A 45 -8.355 6.762 6.158 1.00 0.00 C ATOM 670 C TYR A 45 -9.284 6.749 4.943 1.00 0.00 C ATOM 671 O TYR A 45 -10.294 6.046 4.937 1.00 0.00 O ATOM 672 CB TYR A 45 -6.906 6.657 5.679 1.00 0.00 C ATOM 673 CG TYR A 45 -6.004 7.790 6.171 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.363 7.682 7.389 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.831 8.920 5.398 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.513 8.748 7.852 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.981 9.986 5.862 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.364 9.848 7.066 1.00 0.00 C ATOM 679 OH TYR A 45 -3.562 10.855 7.504 1.00 0.00 O ATOM 0 H TYR A 45 -8.648 4.715 6.499 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.547 7.681 6.711 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.492 5.706 6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.894 6.645 4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.499 6.798 7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.333 9.005 4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.005 8.676 8.802 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.837 10.876 5.267 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.549 11.575 6.840 1.00 0.00 H new ATOM 689 N ALA A 46 -8.910 7.533 3.943 1.00 0.00 N ATOM 690 CA ALA A 46 -9.697 7.620 2.725 1.00 0.00 C ATOM 691 C ALA A 46 -8.897 7.030 1.562 1.00 0.00 C ATOM 692 O ALA A 46 -7.977 7.667 1.050 1.00 0.00 O ATOM 693 CB ALA A 46 -10.097 9.076 2.478 1.00 0.00 C ATOM 0 H ALA A 46 -8.072 8.114 3.951 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.616 7.041 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.687 9.141 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.688 9.438 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.200 9.687 2.375 1.00 0.00 H new ATOM 699 N GLU A 47 -9.275 5.819 1.179 1.00 0.00 N ATOM 700 CA GLU A 47 -8.604 5.136 0.086 1.00 0.00 C ATOM 701 C GLU A 47 -8.401 6.091 -1.092 1.00 0.00 C ATOM 702 O GLU A 47 -7.361 6.060 -1.749 1.00 0.00 O ATOM 703 CB GLU A 47 -9.384 3.893 -0.345 1.00 0.00 C ATOM 704 CG GLU A 47 -10.828 4.248 -0.704 1.00 0.00 C ATOM 705 CD GLU A 47 -11.533 3.066 -1.372 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.231 2.824 -2.561 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.359 2.433 -0.680 1.00 0.00 O ATOM 0 H GLU A 47 -10.038 5.293 1.606 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.625 4.808 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.895 3.432 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.376 3.157 0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.370 4.538 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.839 5.108 -1.373 1.00 0.00 H new ATOM 714 N GLU A 48 -9.410 6.918 -1.323 1.00 0.00 N ATOM 715 CA GLU A 48 -9.355 7.881 -2.410 1.00 0.00 C ATOM 716 C GLU A 48 -8.197 8.857 -2.197 1.00 0.00 C ATOM 717 O GLU A 48 -7.569 9.301 -3.157 1.00 0.00 O ATOM 718 CB GLU A 48 -10.683 8.627 -2.549 1.00 0.00 C ATOM 719 CG GLU A 48 -11.018 9.393 -1.268 1.00 0.00 C ATOM 720 CD GLU A 48 -12.503 9.757 -1.219 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.313 8.818 -1.058 1.00 0.00 O ATOM 722 OE2 GLU A 48 -12.796 10.966 -1.344 1.00 0.00 O ATOM 0 H GLU A 48 -10.271 6.941 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.181 7.340 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.628 9.321 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.481 7.918 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.760 8.787 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.416 10.300 -1.214 1.00 0.00 H new ATOM 729 N ASP A 49 -7.948 9.163 -0.932 1.00 0.00 N ATOM 730 CA ASP A 49 -6.876 10.079 -0.580 1.00 0.00 C ATOM 731 C ASP A 49 -5.556 9.309 -0.506 1.00 0.00 C ATOM 732 O ASP A 49 -4.498 9.902 -0.304 1.00 0.00 O ATOM 733 CB ASP A 49 -7.126 10.720 0.787 1.00 0.00 C ATOM 734 CG ASP A 49 -8.347 11.639 0.856 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.020 11.769 -0.189 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.580 12.192 1.953 1.00 0.00 O ATOM 0 H ASP A 49 -8.470 8.793 -0.138 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.834 10.857 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.244 9.928 1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.243 11.292 1.070 1.00 0.00 H new ATOM 741 N LEU A 50 -5.662 7.999 -0.675 1.00 0.00 N ATOM 742 CA LEU A 50 -4.490 7.141 -0.630 1.00 0.00 C ATOM 743 C LEU A 50 -4.174 6.644 -2.042 1.00 0.00 C ATOM 744 O LEU A 50 -4.870 6.987 -2.996 1.00 0.00 O ATOM 745 CB LEU A 50 -4.688 6.016 0.388 1.00 0.00 C ATOM 746 CG LEU A 50 -4.874 6.453 1.842 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.100 5.245 2.753 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.697 7.312 2.311 1.00 0.00 C ATOM 0 H LEU A 50 -6.542 7.511 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.620 7.701 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.559 5.433 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.826 5.351 0.337 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.769 7.072 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.229 5.584 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.994 4.710 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.238 4.580 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.854 7.609 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.774 6.737 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.624 8.202 1.685 1.00 0.00 H new ATOM 760 N ALA A 51 -3.122 5.843 -2.131 1.00 0.00 N ATOM 761 CA ALA A 51 -2.704 5.296 -3.411 1.00 0.00 C ATOM 762 C ALA A 51 -1.653 4.208 -3.176 1.00 0.00 C ATOM 763 O ALA A 51 -0.897 4.269 -2.208 1.00 0.00 O ATOM 764 CB ALA A 51 -2.186 6.424 -4.304 1.00 0.00 C ATOM 0 H ALA A 51 -2.547 5.560 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.547 4.835 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.873 6.013 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.979 7.155 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.337 6.909 -3.822 1.00 0.00 H new ATOM 770 N LEU A 52 -1.640 3.239 -4.080 1.00 0.00 N ATOM 771 CA LEU A 52 -0.695 2.140 -3.984 1.00 0.00 C ATOM 772 C LEU A 52 0.639 2.564 -4.602 1.00 0.00 C ATOM 773 O LEU A 52 0.710 2.855 -5.795 1.00 0.00 O ATOM 774 CB LEU A 52 -1.284 0.871 -4.603 1.00 0.00 C ATOM 775 CG LEU A 52 -2.423 0.210 -3.824 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.234 0.394 -2.317 1.00 0.00 C ATOM 777 CD2 LEU A 52 -3.783 0.726 -4.299 1.00 0.00 C ATOM 0 H LEU A 52 -2.269 3.193 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.500 1.896 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.646 1.113 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.482 0.143 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.398 -0.861 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.057 -0.085 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.291 -0.059 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.219 1.458 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.575 0.241 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.836 1.804 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.908 0.501 -5.358 1.00 0.00 H new ATOM 789 N VAL A 53 1.664 2.586 -3.762 1.00 0.00 N ATOM 790 CA VAL A 53 2.991 2.970 -4.211 1.00 0.00 C ATOM 791 C VAL A 53 3.876 1.725 -4.298 1.00 0.00 C ATOM 792 O VAL A 53 3.991 0.972 -3.331 1.00 0.00 O ATOM 793 CB VAL A 53 3.565 4.047 -3.288 1.00 0.00 C ATOM 794 CG1 VAL A 53 5.000 4.400 -3.683 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.676 5.293 -3.281 1.00 0.00 C ATOM 0 H VAL A 53 1.602 2.344 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 53 2.944 3.406 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 53 3.586 3.644 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.384 5.168 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.626 3.510 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.014 4.774 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.106 6.043 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.609 5.698 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.679 5.027 -2.930 1.00 0.00 H new ATOM 805 N ALA A 54 4.477 1.545 -5.464 1.00 0.00 N ATOM 806 CA ALA A 54 5.348 0.404 -5.690 1.00 0.00 C ATOM 807 C ALA A 54 6.802 0.877 -5.728 1.00 0.00 C ATOM 808 O ALA A 54 7.102 1.930 -6.289 1.00 0.00 O ATOM 809 CB ALA A 54 4.932 -0.309 -6.978 1.00 0.00 C ATOM 0 H ALA A 54 4.378 2.171 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 54 5.257 -0.315 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.585 -1.165 -7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.901 -0.652 -6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.013 0.381 -7.818 1.00 0.00 H new ATOM 815 N ILE A 55 7.668 0.076 -5.125 1.00 0.00 N ATOM 816 CA ILE A 55 9.084 0.399 -5.084 1.00 0.00 C ATOM 817 C ILE A 55 9.856 -0.596 -5.952 1.00 0.00 C ATOM 818 O ILE A 55 9.739 -1.807 -5.768 1.00 0.00 O ATOM 819 CB ILE A 55 9.577 0.464 -3.636 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.568 1.193 -2.746 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.969 1.093 -3.559 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.455 2.667 -3.138 1.00 0.00 C ATOM 0 H ILE A 55 7.416 -0.797 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 55 9.260 1.390 -5.502 1.00 0.00 H new ATOM 0 HB ILE A 55 9.663 -0.555 -3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.592 0.715 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.874 1.113 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.296 1.127 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.671 0.495 -4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.934 2.105 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.731 3.161 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.427 3.148 -3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.126 2.744 -4.174 1.00 0.00 H new ATOM 834 N THR A 56 10.628 -0.049 -6.879 1.00 0.00 N ATOM 835 CA THR A 56 11.419 -0.874 -7.777 1.00 0.00 C ATOM 836 C THR A 56 12.795 -1.156 -7.168 1.00 0.00 C ATOM 837 O THR A 56 13.103 -0.683 -6.076 1.00 0.00 O ATOM 838 CB THR A 56 11.488 -0.167 -9.132 1.00 0.00 C ATOM 839 OG1 THR A 56 12.248 -1.054 -9.948 1.00 0.00 O ATOM 840 CG2 THR A 56 12.329 1.110 -9.084 1.00 0.00 C ATOM 0 H THR A 56 10.723 0.956 -7.028 1.00 0.00 H new ATOM 0 HA THR A 56 10.958 -1.850 -7.927 1.00 0.00 H new ATOM 0 HB THR A 56 10.479 0.076 -9.467 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.833 -1.942 -9.941 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.345 1.572 -10.071 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.895 1.805 -8.365 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.347 0.864 -8.782 1.00 0.00 H new ATOM 848 N PHE A 57 13.584 -1.926 -7.903 1.00 0.00 N ATOM 849 CA PHE A 57 14.920 -2.276 -7.449 1.00 0.00 C ATOM 850 C PHE A 57 15.786 -1.027 -7.276 1.00 0.00 C ATOM 851 O PHE A 57 16.544 -0.921 -6.313 1.00 0.00 O ATOM 852 CB PHE A 57 15.539 -3.166 -8.529 1.00 0.00 C ATOM 853 CG PHE A 57 16.060 -2.398 -9.745 1.00 0.00 C ATOM 854 CD1 PHE A 57 17.254 -1.750 -9.680 1.00 0.00 C ATOM 855 CD2 PHE A 57 15.329 -2.364 -10.892 1.00 0.00 C ATOM 856 CE1 PHE A 57 17.737 -1.037 -10.809 1.00 0.00 C ATOM 857 CE2 PHE A 57 15.812 -1.651 -12.021 1.00 0.00 C ATOM 858 CZ PHE A 57 17.006 -1.003 -11.956 1.00 0.00 C ATOM 0 H PHE A 57 13.325 -2.317 -8.809 1.00 0.00 H new ATOM 0 HA PHE A 57 14.865 -2.782 -6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.360 -3.733 -8.091 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.794 -3.889 -8.861 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.835 -1.778 -8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.381 -2.879 -10.944 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.685 -0.522 -10.757 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.231 -1.623 -12.931 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.374 -0.461 -12.815 1.00 0.00 H new ATOM 868 N SER A 58 15.644 -0.112 -8.224 1.00 0.00 N ATOM 869 CA SER A 58 16.404 1.126 -8.189 1.00 0.00 C ATOM 870 C SER A 58 16.160 1.852 -6.864 1.00 0.00 C ATOM 871 O SER A 58 16.971 2.677 -6.446 1.00 0.00 O ATOM 872 CB SER A 58 16.037 2.032 -9.366 1.00 0.00 C ATOM 873 OG SER A 58 17.099 2.135 -10.311 1.00 0.00 O ATOM 0 H SER A 58 15.014 -0.203 -9.021 1.00 0.00 H new ATOM 0 HA SER A 58 17.463 0.880 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.148 1.641 -9.861 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.785 3.025 -8.994 1.00 0.00 H new ATOM 0 HG SER A 58 17.382 1.237 -10.584 1.00 0.00 H new ATOM 879 N GLY A 59 15.038 1.520 -6.242 1.00 0.00 N ATOM 880 CA GLY A 59 14.677 2.130 -4.974 1.00 0.00 C ATOM 881 C GLY A 59 13.558 3.157 -5.159 1.00 0.00 C ATOM 882 O GLY A 59 12.840 3.475 -4.212 1.00 0.00 O ATOM 0 H GLY A 59 14.367 0.836 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.356 1.359 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.551 2.613 -4.537 1.00 0.00 H new ATOM 886 N GLU A 60 13.445 3.647 -6.384 1.00 0.00 N ATOM 887 CA GLU A 60 12.425 4.631 -6.705 1.00 0.00 C ATOM 888 C GLU A 60 11.030 4.043 -6.481 1.00 0.00 C ATOM 889 O GLU A 60 10.844 2.830 -6.561 1.00 0.00 O ATOM 890 CB GLU A 60 12.583 5.136 -8.141 1.00 0.00 C ATOM 891 CG GLU A 60 11.592 4.444 -9.078 1.00 0.00 C ATOM 892 CD GLU A 60 12.040 4.563 -10.536 1.00 0.00 C ATOM 893 OE1 GLU A 60 12.914 3.760 -10.928 1.00 0.00 O ATOM 894 OE2 GLU A 60 11.499 5.455 -11.225 1.00 0.00 O ATOM 0 H GLU A 60 14.043 3.381 -7.167 1.00 0.00 H new ATOM 0 HA GLU A 60 12.549 5.485 -6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.425 6.214 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.601 4.954 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.503 3.392 -8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.604 4.889 -8.960 1.00 0.00 H new ATOM 901 N LYS A 61 10.086 4.931 -6.205 1.00 0.00 N ATOM 902 CA LYS A 61 8.714 4.515 -5.969 1.00 0.00 C ATOM 903 C LYS A 61 7.847 4.932 -7.159 1.00 0.00 C ATOM 904 O LYS A 61 8.227 5.812 -7.930 1.00 0.00 O ATOM 905 CB LYS A 61 8.215 5.052 -4.626 1.00 0.00 C ATOM 906 CG LYS A 61 7.950 6.557 -4.702 1.00 0.00 C ATOM 907 CD LYS A 61 8.543 7.279 -3.491 1.00 0.00 C ATOM 908 CE LYS A 61 7.764 6.945 -2.217 1.00 0.00 C ATOM 909 NZ LYS A 61 8.498 7.417 -1.022 1.00 0.00 N ATOM 0 H LYS A 61 10.244 5.937 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 61 8.652 3.429 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.301 4.532 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.954 4.848 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.382 6.960 -5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.876 6.739 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.588 6.993 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.525 8.356 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.779 7.410 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.606 5.869 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.231 6.839 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.521 7.332 -1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.259 8.412 -0.838 1.00 0.00 H new ATOM 923 N HIS A 62 6.699 4.280 -7.271 1.00 0.00 N ATOM 924 CA HIS A 62 5.775 4.572 -8.354 1.00 0.00 C ATOM 925 C HIS A 62 4.337 4.457 -7.846 1.00 0.00 C ATOM 926 O HIS A 62 4.020 3.560 -7.067 1.00 0.00 O ATOM 927 CB HIS A 62 6.052 3.675 -9.562 1.00 0.00 C ATOM 928 CG HIS A 62 5.980 4.391 -10.889 1.00 0.00 C ATOM 929 ND1 HIS A 62 6.759 5.495 -11.188 1.00 0.00 N ATOM 930 CD2 HIS A 62 5.215 4.149 -11.992 1.00 0.00 C ATOM 931 CE1 HIS A 62 6.467 5.892 -12.418 1.00 0.00 C ATOM 932 NE2 HIS A 62 5.509 5.057 -12.914 1.00 0.00 N ATOM 0 H HIS A 62 6.388 3.551 -6.630 1.00 0.00 H new ATOM 0 HA HIS A 62 5.922 5.597 -8.696 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.042 3.232 -9.453 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.334 2.855 -9.564 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.492 3.353 -12.097 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.910 6.729 -12.937 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.088 5.120 -13.841 1.00 0.00 H new ATOM 940 N GLU A 63 3.504 5.378 -8.309 1.00 0.00 N ATOM 941 CA GLU A 63 2.106 5.391 -7.912 1.00 0.00 C ATOM 942 C GLU A 63 1.228 4.850 -9.042 1.00 0.00 C ATOM 943 O GLU A 63 0.957 5.554 -10.013 1.00 0.00 O ATOM 944 CB GLU A 63 1.666 6.797 -7.500 1.00 0.00 C ATOM 945 CG GLU A 63 0.375 6.749 -6.680 1.00 0.00 C ATOM 946 CD GLU A 63 -0.581 7.868 -7.098 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.215 9.041 -6.874 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.657 7.523 -7.633 1.00 0.00 O ATOM 0 H GLU A 63 3.771 6.121 -8.955 1.00 0.00 H new ATOM 0 HA GLU A 63 1.989 4.741 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.454 7.272 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.514 7.409 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.110 5.782 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.610 6.843 -5.620 1.00 0.00 H new ATOM 955 N LEU A 64 0.809 3.604 -8.878 1.00 0.00 N ATOM 956 CA LEU A 64 -0.033 2.960 -9.873 1.00 0.00 C ATOM 957 C LEU A 64 -1.453 3.520 -9.771 1.00 0.00 C ATOM 958 O LEU A 64 -1.665 4.583 -9.190 1.00 0.00 O ATOM 959 CB LEU A 64 0.041 1.439 -9.733 1.00 0.00 C ATOM 960 CG LEU A 64 1.254 0.892 -8.978 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.922 0.659 -7.503 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.794 -0.372 -9.651 1.00 0.00 C ATOM 0 H LEU A 64 1.037 3.023 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 64 0.326 3.181 -10.878 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.862 1.097 -9.227 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.032 1.001 -10.731 1.00 0.00 H new ATOM 0 HG LEU A 64 2.046 1.640 -9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.801 0.270 -6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.621 1.601 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.107 -0.060 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.656 -0.741 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.017 -1.137 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.094 -0.140 -10.673 1.00 0.00 H new ATOM 974 N GLN A 65 -2.389 2.778 -10.345 1.00 0.00 N ATOM 975 CA GLN A 65 -3.783 3.187 -10.327 1.00 0.00 C ATOM 976 C GLN A 65 -4.594 2.268 -9.410 1.00 0.00 C ATOM 977 O GLN A 65 -4.139 1.181 -9.056 1.00 0.00 O ATOM 978 CB GLN A 65 -4.368 3.206 -11.740 1.00 0.00 C ATOM 979 CG GLN A 65 -4.086 4.540 -12.433 1.00 0.00 C ATOM 980 CD GLN A 65 -5.382 5.191 -12.920 1.00 0.00 C ATOM 981 OE1 GLN A 65 -5.920 4.859 -13.963 1.00 0.00 O ATOM 982 NE2 GLN A 65 -5.853 6.133 -12.108 1.00 0.00 N ATOM 0 H GLN A 65 -2.209 1.896 -10.825 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.838 4.202 -9.933 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.941 2.391 -12.325 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.444 3.036 -11.694 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.575 5.211 -11.743 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.416 4.380 -13.278 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.353 6.363 -11.249 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.714 6.626 -12.344 1.00 0.00 H new ATOM 991 N PRO A 66 -5.811 2.750 -9.043 1.00 0.00 N ATOM 992 CA PRO A 66 -6.689 1.984 -8.175 1.00 0.00 C ATOM 993 C PRO A 66 -7.338 0.826 -8.936 1.00 0.00 C ATOM 994 O PRO A 66 -8.103 0.053 -8.361 1.00 0.00 O ATOM 995 CB PRO A 66 -7.699 2.991 -7.650 1.00 0.00 C ATOM 996 CG PRO A 66 -7.637 4.177 -8.598 1.00 0.00 C ATOM 997 CD PRO A 66 -6.382 4.033 -9.444 1.00 0.00 C ATOM 0 HA PRO A 66 -6.157 1.508 -7.351 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.701 2.563 -7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.456 3.292 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.523 4.206 -9.232 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.615 5.112 -8.038 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.618 4.046 -10.508 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.685 4.851 -9.262 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.010 0.744 -10.217 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.552 -0.306 -11.062 1.00 0.00 C ATOM 1007 C ASN A 67 -6.440 -1.296 -11.414 1.00 0.00 C ATOM 1008 O ASN A 67 -6.698 -2.335 -12.021 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.105 0.268 -12.368 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.343 1.529 -12.778 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -6.249 1.477 -13.317 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -7.979 2.662 -12.495 1.00 0.00 N ATOM 0 H ASN A 67 -6.376 1.388 -10.690 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.357 -0.797 -10.515 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.031 -0.479 -13.158 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.163 0.501 -12.248 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.553 3.558 -12.730 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.893 2.635 -12.043 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.227 -0.939 -11.019 1.00 0.00 N ATOM 1020 CA ASP A 68 -4.075 -1.783 -11.285 1.00 0.00 C ATOM 1021 C ASP A 68 -4.183 -3.064 -10.456 1.00 0.00 C ATOM 1022 O ASP A 68 -4.567 -3.021 -9.288 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.774 -1.078 -10.897 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.502 -1.701 -11.477 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -1.182 -1.362 -12.636 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.879 -2.502 -10.747 1.00 0.00 O ATOM 0 H ASP A 68 -5.017 -0.076 -10.517 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.061 -2.006 -12.352 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.831 -0.039 -11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.693 -1.070 -9.810 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.838 -4.174 -11.092 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.893 -5.465 -10.427 1.00 0.00 C ATOM 1033 C LEU A 69 -2.812 -5.523 -9.345 1.00 0.00 C ATOM 1034 O LEU A 69 -1.721 -4.983 -9.523 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.799 -6.599 -11.450 1.00 0.00 C ATOM 1036 CG LEU A 69 -5.014 -6.781 -12.363 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -4.691 -7.720 -13.526 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -6.232 -7.252 -11.566 1.00 0.00 C ATOM 0 H LEU A 69 -3.519 -4.206 -12.060 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.853 -5.595 -9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.923 -6.426 -12.075 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.629 -7.533 -10.914 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.266 -5.812 -12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.571 -7.832 -14.159 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.873 -7.304 -14.113 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.398 -8.695 -13.136 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.082 -7.374 -12.238 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.008 -8.206 -11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.476 -6.513 -10.803 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.153 -6.182 -8.248 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.226 -6.318 -7.137 1.00 0.00 C ATOM 1052 C VAL A 70 -1.767 -7.774 -7.036 1.00 0.00 C ATOM 1053 O VAL A 70 -1.577 -8.294 -5.938 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.873 -5.804 -5.850 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.513 -4.338 -5.602 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.390 -5.998 -5.884 1.00 0.00 C ATOM 0 H VAL A 70 -4.059 -6.628 -8.104 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.338 -5.709 -7.304 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.479 -6.390 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.986 -3.998 -4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.431 -4.239 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.865 -3.731 -6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.825 -5.624 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.808 -5.450 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.619 -7.058 -5.991 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.602 -8.391 -8.197 1.00 0.00 N ATOM 1067 CA ILE A 71 -1.168 -9.776 -8.253 1.00 0.00 C ATOM 1068 C ILE A 71 -0.576 -10.066 -9.634 1.00 0.00 C ATOM 1069 O ILE A 71 -1.034 -10.968 -10.333 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.316 -10.712 -7.868 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -1.981 -12.163 -8.220 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -3.631 -10.257 -8.503 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -2.221 -13.087 -7.024 1.00 0.00 C ATOM 0 H ILE A 71 -1.761 -7.957 -9.106 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.379 -9.958 -7.523 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.448 -10.665 -6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.592 -12.487 -9.063 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.940 -12.233 -8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.430 -10.939 -8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.871 -9.250 -8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.530 -10.256 -9.588 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.975 -14.112 -7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.591 -12.775 -6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.268 -13.033 -6.727 1.00 0.00 H new ATOM 1085 N SER A 72 0.434 -9.283 -9.985 1.00 0.00 N ATOM 1086 CA SER A 72 1.094 -9.444 -11.269 1.00 0.00 C ATOM 1087 C SER A 72 2.519 -8.893 -11.198 1.00 0.00 C ATOM 1088 O SER A 72 2.803 -7.997 -10.405 1.00 0.00 O ATOM 1089 CB SER A 72 0.310 -8.746 -12.382 1.00 0.00 C ATOM 1090 OG SER A 72 -0.025 -7.404 -12.039 1.00 0.00 O ATOM 0 H SER A 72 0.811 -8.536 -9.402 1.00 0.00 H new ATOM 0 HA SER A 72 1.134 -10.508 -11.502 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.901 -8.749 -13.298 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.602 -9.306 -12.589 1.00 0.00 H new ATOM 0 HG SER A 72 -0.523 -6.993 -12.776 1.00 0.00 H new ATOM 1096 N LYS A 73 3.379 -9.452 -12.038 1.00 0.00 N ATOM 1097 CA LYS A 73 4.768 -9.027 -12.080 1.00 0.00 C ATOM 1098 C LYS A 73 5.089 -8.487 -13.475 1.00 0.00 C ATOM 1099 O LYS A 73 5.177 -9.251 -14.435 1.00 0.00 O ATOM 1100 CB LYS A 73 5.689 -10.164 -11.633 1.00 0.00 C ATOM 1101 CG LYS A 73 5.833 -10.187 -10.110 1.00 0.00 C ATOM 1102 CD LYS A 73 5.066 -11.364 -9.504 1.00 0.00 C ATOM 1103 CE LYS A 73 3.913 -10.874 -8.626 1.00 0.00 C ATOM 1104 NZ LYS A 73 3.511 -11.924 -7.665 1.00 0.00 N ATOM 0 H LYS A 73 3.140 -10.195 -12.694 1.00 0.00 H new ATOM 0 HA LYS A 73 4.940 -8.213 -11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.289 -11.117 -11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.670 -10.044 -12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.887 -10.259 -9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.461 -9.252 -9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.677 -11.998 -10.301 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.744 -11.978 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.215 -9.976 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.063 -10.600 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.727 -11.575 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.203 -12.771 -8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.319 -12.166 -7.057 1.00 0.00 H new ATOM 1118 N SER A 74 5.256 -7.174 -13.542 1.00 0.00 N ATOM 1119 CA SER A 74 5.566 -6.523 -14.803 1.00 0.00 C ATOM 1120 C SER A 74 6.936 -6.982 -15.307 1.00 0.00 C ATOM 1121 O SER A 74 7.029 -7.672 -16.320 1.00 0.00 O ATOM 1122 CB SER A 74 5.536 -5.000 -14.659 1.00 0.00 C ATOM 1123 OG SER A 74 4.300 -4.446 -15.101 1.00 0.00 O ATOM 0 H SER A 74 5.182 -6.544 -12.743 1.00 0.00 H new ATOM 0 HA SER A 74 4.805 -6.807 -15.530 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.701 -4.731 -13.616 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.354 -4.565 -15.233 1.00 0.00 H new ATOM 0 HG SER A 74 4.320 -3.472 -14.991 1.00 0.00 H new ATOM 1129 N LEU A 75 7.964 -6.580 -14.575 1.00 0.00 N ATOM 1130 CA LEU A 75 9.325 -6.942 -14.934 1.00 0.00 C ATOM 1131 C LEU A 75 10.209 -6.889 -13.686 1.00 0.00 C ATOM 1132 O LEU A 75 11.024 -5.981 -13.536 1.00 0.00 O ATOM 1133 CB LEU A 75 9.828 -6.063 -16.081 1.00 0.00 C ATOM 1134 CG LEU A 75 9.764 -4.552 -15.846 1.00 0.00 C ATOM 1135 CD1 LEU A 75 11.072 -3.877 -16.262 1.00 0.00 C ATOM 1136 CD2 LEU A 75 8.552 -3.938 -16.550 1.00 0.00 C ATOM 0 H LEU A 75 7.882 -6.007 -13.735 1.00 0.00 H new ATOM 0 HA LEU A 75 9.361 -7.965 -15.307 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.862 -6.334 -16.294 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.247 -6.297 -16.973 1.00 0.00 H new ATOM 0 HG LEU A 75 9.637 -4.377 -14.778 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.000 -2.804 -16.085 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.895 -4.287 -15.677 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.254 -4.058 -17.321 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.530 -2.864 -16.367 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.622 -4.122 -17.622 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.639 -4.390 -16.163 1.00 0.00 H new ATOM 1148 N GLU A 76 10.017 -7.876 -12.822 1.00 0.00 N ATOM 1149 CA GLU A 76 10.786 -7.953 -11.592 1.00 0.00 C ATOM 1150 C GLU A 76 10.584 -9.315 -10.925 1.00 0.00 C ATOM 1151 O GLU A 76 9.659 -10.049 -11.270 1.00 0.00 O ATOM 1152 CB GLU A 76 10.413 -6.815 -10.639 1.00 0.00 C ATOM 1153 CG GLU A 76 11.485 -5.723 -10.644 1.00 0.00 C ATOM 1154 CD GLU A 76 12.156 -5.608 -9.274 1.00 0.00 C ATOM 1155 OE1 GLU A 76 11.444 -5.216 -8.324 1.00 0.00 O ATOM 1156 OE2 GLU A 76 13.366 -5.914 -9.207 1.00 0.00 O ATOM 0 H GLU A 76 9.340 -8.628 -12.950 1.00 0.00 H new ATOM 0 HA GLU A 76 11.842 -7.844 -11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.454 -6.389 -10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.292 -7.206 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.235 -5.948 -11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.035 -4.768 -10.914 1.00 0.00 H new ATOM 1163 N ALA A 77 11.465 -9.612 -9.981 1.00 0.00 N ATOM 1164 CA ALA A 77 11.395 -10.873 -9.262 1.00 0.00 C ATOM 1165 C ALA A 77 10.369 -10.755 -8.132 1.00 0.00 C ATOM 1166 O ALA A 77 9.381 -11.488 -8.107 1.00 0.00 O ATOM 1167 CB ALA A 77 12.787 -11.246 -8.748 1.00 0.00 C ATOM 0 H ALA A 77 12.231 -9.001 -9.697 1.00 0.00 H new ATOM 0 HA ALA A 77 11.066 -11.674 -9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.734 -12.192 -8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.471 -11.346 -9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.149 -10.466 -8.078 1.00 0.00 H new ATOM 1173 N SER A 78 10.639 -9.828 -7.226 1.00 0.00 N ATOM 1174 CA SER A 78 9.752 -9.604 -6.097 1.00 0.00 C ATOM 1175 C SER A 78 9.919 -8.176 -5.575 1.00 0.00 C ATOM 1176 O SER A 78 10.964 -7.558 -5.770 1.00 0.00 O ATOM 1177 CB SER A 78 10.020 -10.613 -4.978 1.00 0.00 C ATOM 1178 OG SER A 78 11.218 -10.314 -4.265 1.00 0.00 O ATOM 0 H SER A 78 11.460 -9.223 -7.250 1.00 0.00 H new ATOM 0 HA SER A 78 8.725 -9.742 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.178 -10.619 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.091 -11.615 -5.402 1.00 0.00 H new ATOM 0 HG SER A 78 11.353 -10.980 -3.558 1.00 0.00 H new ATOM 1184 N GLY A 79 8.872 -7.692 -4.922 1.00 0.00 N ATOM 1185 CA GLY A 79 8.889 -6.348 -4.370 1.00 0.00 C ATOM 1186 C GLY A 79 7.872 -6.208 -3.236 1.00 0.00 C ATOM 1187 O GLY A 79 7.417 -7.205 -2.678 1.00 0.00 O ATOM 0 H GLY A 79 8.006 -8.207 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.887 -6.116 -3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.665 -5.626 -5.155 1.00 0.00 H new ATOM 1191 N ARG A 80 7.545 -4.961 -2.929 1.00 0.00 N ATOM 1192 CA ARG A 80 6.590 -4.677 -1.871 1.00 0.00 C ATOM 1193 C ARG A 80 5.842 -3.376 -2.167 1.00 0.00 C ATOM 1194 O ARG A 80 6.462 -2.340 -2.404 1.00 0.00 O ATOM 1195 CB ARG A 80 7.289 -4.559 -0.515 1.00 0.00 C ATOM 1196 CG ARG A 80 7.726 -5.933 -0.003 1.00 0.00 C ATOM 1197 CD ARG A 80 9.138 -6.274 -0.485 1.00 0.00 C ATOM 1198 NE ARG A 80 10.125 -5.945 0.567 1.00 0.00 N ATOM 1199 CZ ARG A 80 10.830 -4.806 0.607 1.00 0.00 C ATOM 1200 NH1 ARG A 80 10.661 -3.880 -0.347 1.00 0.00 N ATOM 1201 NH2 ARG A 80 11.704 -4.593 1.600 1.00 0.00 N ATOM 0 H ARG A 80 7.924 -4.136 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 80 5.883 -5.506 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.158 -3.907 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.616 -4.095 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.697 -5.945 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.026 -6.694 -0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.200 -7.333 -0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.365 -5.718 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 80 10.279 -6.628 1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.996 -4.042 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.197 -3.013 -0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.833 -5.298 2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.240 -3.726 1.630 1.00 0.00 H new ATOM 1215 N ILE A 81 4.521 -3.471 -2.143 1.00 0.00 N ATOM 1216 CA ILE A 81 3.682 -2.314 -2.405 1.00 0.00 C ATOM 1217 C ILE A 81 3.493 -1.522 -1.110 1.00 0.00 C ATOM 1218 O ILE A 81 3.649 -2.066 -0.017 1.00 0.00 O ATOM 1219 CB ILE A 81 2.368 -2.743 -3.061 1.00 0.00 C ATOM 1220 CG1 ILE A 81 2.616 -3.335 -4.450 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.371 -1.582 -3.102 1.00 0.00 C ATOM 1222 CD1 ILE A 81 2.814 -2.230 -5.489 1.00 0.00 C ATOM 0 H ILE A 81 4.011 -4.332 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 81 4.165 -1.647 -3.119 1.00 0.00 H new ATOM 0 HB ILE A 81 1.922 -3.529 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.497 -3.977 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.773 -3.963 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.446 -1.914 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.161 -1.246 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.795 -0.758 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.988 -2.678 -6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.922 -1.605 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.673 -1.619 -5.211 1.00 0.00 H new ATOM 1234 N TYR A 82 3.160 -0.250 -1.274 1.00 0.00 N ATOM 1235 CA TYR A 82 2.949 0.622 -0.132 1.00 0.00 C ATOM 1236 C TYR A 82 1.759 1.555 -0.367 1.00 0.00 C ATOM 1237 O TYR A 82 1.154 1.538 -1.438 1.00 0.00 O ATOM 1238 CB TYR A 82 4.221 1.460 0.000 1.00 0.00 C ATOM 1239 CG TYR A 82 5.499 0.633 0.154 1.00 0.00 C ATOM 1240 CD1 TYR A 82 6.192 0.220 -0.965 1.00 0.00 C ATOM 1241 CD2 TYR A 82 5.957 0.299 1.412 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.395 -0.560 -0.820 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.160 -0.481 1.557 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.819 -0.871 0.434 1.00 0.00 C ATOM 1245 OH TYR A 82 8.954 -1.607 0.571 1.00 0.00 O ATOM 0 H TYR A 82 3.031 0.197 -2.182 1.00 0.00 H new ATOM 0 HA TYR A 82 2.740 0.037 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.317 2.097 -0.879 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.121 2.119 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.833 0.481 -1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.414 0.622 2.288 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.947 -0.890 -1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.530 -0.750 2.536 1.00 0.00 H new ATOM 0 HH TYR A 82 9.137 -1.752 1.523 1.00 0.00 H new ATOM 1255 N VAL A 83 1.460 2.348 0.651 1.00 0.00 N ATOM 1256 CA VAL A 83 0.354 3.287 0.569 1.00 0.00 C ATOM 1257 C VAL A 83 0.787 4.632 1.156 1.00 0.00 C ATOM 1258 O VAL A 83 1.308 4.688 2.268 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.881 2.703 1.258 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.526 2.145 2.638 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -1.997 3.745 1.359 1.00 0.00 C ATOM 0 H VAL A 83 1.964 2.360 1.537 1.00 0.00 H new ATOM 0 HA VAL A 83 0.077 3.461 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.247 1.878 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.421 1.736 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.220 1.357 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.123 2.944 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.863 3.304 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.646 4.599 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.278 4.075 0.359 1.00 0.00 H new ATOM 1271 N TYR A 84 0.554 5.682 0.382 1.00 0.00 N ATOM 1272 CA TYR A 84 0.914 7.022 0.812 1.00 0.00 C ATOM 1273 C TYR A 84 -0.322 7.920 0.898 1.00 0.00 C ATOM 1274 O TYR A 84 -1.349 7.630 0.286 1.00 0.00 O ATOM 1275 CB TYR A 84 1.855 7.571 -0.263 1.00 0.00 C ATOM 1276 CG TYR A 84 3.271 6.994 -0.204 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.463 5.630 -0.278 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.355 7.838 -0.076 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.796 5.087 -0.222 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.688 7.295 -0.020 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.842 5.946 -0.096 1.00 0.00 C ATOM 1282 OH TYR A 84 7.101 5.434 -0.044 1.00 0.00 O ATOM 0 H TYR A 84 0.121 5.632 -0.540 1.00 0.00 H new ATOM 0 HA TYR A 84 1.376 6.998 1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.429 7.363 -1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.911 8.655 -0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.614 4.970 -0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.204 8.906 -0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.961 4.021 -0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.545 7.944 0.080 1.00 0.00 H new ATOM 0 HH TYR A 84 7.087 4.501 -0.344 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.182 8.994 1.662 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.274 9.936 1.836 1.00 0.00 C ATOM 1294 C ARG A 85 -1.193 11.043 0.783 1.00 0.00 C ATOM 1295 O ARG A 85 -0.104 11.404 0.339 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.242 10.565 3.230 1.00 0.00 C ATOM 1297 CG ARG A 85 -2.656 10.726 3.791 1.00 0.00 C ATOM 1298 CD ARG A 85 -3.083 12.196 3.788 1.00 0.00 C ATOM 1299 NE ARG A 85 -4.525 12.303 3.476 1.00 0.00 N ATOM 1300 CZ ARG A 85 -5.193 13.463 3.398 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -4.552 14.620 3.610 1.00 0.00 N ATOM 1302 NH2 ARG A 85 -6.501 13.465 3.108 1.00 0.00 N ATOM 0 H ARG A 85 0.671 9.232 2.167 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.208 9.386 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.650 9.942 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.753 11.538 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.356 10.139 3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.695 10.334 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.879 12.645 4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.501 12.751 3.052 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.044 11.441 3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.556 14.618 3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.060 15.503 3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.989 12.584 2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.009 14.348 3.049 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.359 11.551 0.413 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.434 12.610 -0.580 1.00 0.00 C ATOM 1318 C LYS A 86 -2.775 13.930 0.114 1.00 0.00 C ATOM 1319 O LYS A 86 -3.854 14.073 0.688 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.410 12.230 -1.695 1.00 0.00 C ATOM 1321 CG LYS A 86 -2.814 11.150 -2.600 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.551 11.090 -3.940 1.00 0.00 C ATOM 1323 CE LYS A 86 -2.799 10.210 -4.940 1.00 0.00 C ATOM 1324 NZ LYS A 86 -3.139 10.596 -6.328 1.00 0.00 N ATOM 0 H LYS A 86 -3.260 11.249 0.783 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.468 12.746 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.343 11.871 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.653 13.112 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.757 11.356 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.874 10.181 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.557 10.697 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.659 12.096 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.725 10.306 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.053 9.163 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.620 9.989 -6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.162 10.481 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.875 11.589 -6.487 1.00 0.00 H new ATOM 1338 N ASP A 87 -1.837 14.862 0.037 1.00 0.00 N ATOM 1339 CA ASP A 87 -2.025 16.166 0.651 1.00 0.00 C ATOM 1340 C ASP A 87 -2.303 17.202 -0.440 1.00 0.00 C ATOM 1341 O ASP A 87 -3.288 17.936 -0.367 1.00 0.00 O ATOM 1342 CB ASP A 87 -0.771 16.604 1.410 1.00 0.00 C ATOM 1343 CG ASP A 87 -1.030 17.224 2.784 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -1.617 18.327 2.807 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -0.637 16.580 3.781 1.00 0.00 O ATOM 0 H ASP A 87 -0.944 14.740 -0.441 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.861 16.094 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.120 15.739 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.228 17.325 0.799 1.00 0.00 H new ATOM 1350 N LEU A 88 -1.418 17.229 -1.426 1.00 0.00 N ATOM 1351 CA LEU A 88 -1.557 18.163 -2.530 1.00 0.00 C ATOM 1352 C LEU A 88 -0.548 17.806 -3.624 1.00 0.00 C ATOM 1353 O LEU A 88 0.448 17.135 -3.360 1.00 0.00 O ATOM 1354 CB LEU A 88 -1.437 19.605 -2.031 1.00 0.00 C ATOM 1355 CG LEU A 88 -0.017 20.168 -1.941 1.00 0.00 C ATOM 1356 CD1 LEU A 88 -0.014 21.545 -1.275 1.00 0.00 C ATOM 1357 CD2 LEU A 88 0.919 19.186 -1.233 1.00 0.00 C ATOM 0 H LEU A 88 -0.602 16.619 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.550 18.084 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.020 20.247 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.894 19.666 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 88 0.363 20.300 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.007 21.922 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.626 22.233 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.421 21.463 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.922 19.611 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.553 18.998 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.950 18.248 -1.788 1.00 0.00 H new ATOM 1369 N ALA A 89 -0.843 18.270 -4.830 1.00 0.00 N ATOM 1370 CA ALA A 89 0.026 18.008 -5.965 1.00 0.00 C ATOM 1371 C ALA A 89 0.069 16.502 -6.231 1.00 0.00 C ATOM 1372 O ALA A 89 -0.798 15.761 -5.770 1.00 0.00 O ATOM 1373 CB ALA A 89 1.413 18.592 -5.692 1.00 0.00 C ATOM 0 H ALA A 89 -1.671 18.825 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.359 18.491 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.065 18.395 -6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.331 19.668 -5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.833 18.129 -4.799 1.00 0.00 H new ATOM 1379 N ASP A 90 1.088 16.093 -6.973 1.00 0.00 N ATOM 1380 CA ASP A 90 1.255 14.689 -7.306 1.00 0.00 C ATOM 1381 C ASP A 90 2.401 14.106 -6.477 1.00 0.00 C ATOM 1382 O ASP A 90 3.185 13.300 -6.975 1.00 0.00 O ATOM 1383 CB ASP A 90 1.604 14.511 -8.785 1.00 0.00 C ATOM 1384 CG ASP A 90 0.419 14.616 -9.747 1.00 0.00 C ATOM 1385 OD1 ASP A 90 0.009 15.765 -10.019 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -0.051 13.545 -10.187 1.00 0.00 O ATOM 0 H ASP A 90 1.806 16.710 -7.353 1.00 0.00 H new ATOM 0 HA ASP A 90 0.316 14.178 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.344 15.262 -9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.074 13.537 -8.917 1.00 0.00 H new ATOM 1391 N THR A 91 2.462 14.536 -5.225 1.00 0.00 N ATOM 1392 CA THR A 91 3.498 14.067 -4.322 1.00 0.00 C ATOM 1393 C THR A 91 2.911 13.099 -3.293 1.00 0.00 C ATOM 1394 O THR A 91 1.714 13.134 -3.014 1.00 0.00 O ATOM 1395 CB THR A 91 4.166 15.291 -3.692 1.00 0.00 C ATOM 1396 OG1 THR A 91 4.112 16.281 -4.716 1.00 0.00 O ATOM 1397 CG2 THR A 91 5.663 15.083 -3.454 1.00 0.00 C ATOM 0 H THR A 91 1.810 15.205 -4.815 1.00 0.00 H new ATOM 0 HA THR A 91 4.261 13.501 -4.856 1.00 0.00 H new ATOM 0 HB THR A 91 3.677 15.525 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.523 17.110 -4.392 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.088 15.981 -3.006 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.811 14.237 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.158 14.882 -4.404 1.00 0.00 H new ATOM 1405 N LEU A 92 3.782 12.257 -2.756 1.00 0.00 N ATOM 1406 CA LEU A 92 3.364 11.281 -1.763 1.00 0.00 C ATOM 1407 C LEU A 92 4.411 11.213 -0.650 1.00 0.00 C ATOM 1408 O LEU A 92 5.611 11.250 -0.917 1.00 0.00 O ATOM 1409 CB LEU A 92 3.083 9.931 -2.426 1.00 0.00 C ATOM 1410 CG LEU A 92 1.713 9.782 -3.090 1.00 0.00 C ATOM 1411 CD1 LEU A 92 1.532 8.377 -3.667 1.00 0.00 C ATOM 1412 CD2 LEU A 92 0.589 10.152 -2.119 1.00 0.00 C ATOM 0 H LEU A 92 4.775 12.230 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 92 2.425 11.585 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.851 9.751 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.186 9.150 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 92 1.661 10.481 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.550 8.299 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.304 8.188 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.613 7.642 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.374 10.037 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.629 9.496 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.711 11.187 -1.799 1.00 0.00 H new ATOM 1424 N ASN A 93 3.918 11.115 0.576 1.00 0.00 N ATOM 1425 CA ASN A 93 4.796 11.041 1.732 1.00 0.00 C ATOM 1426 C ASN A 93 4.864 9.594 2.224 1.00 0.00 C ATOM 1427 O ASN A 93 3.837 8.934 2.367 1.00 0.00 O ATOM 1428 CB ASN A 93 4.270 11.906 2.879 1.00 0.00 C ATOM 1429 CG ASN A 93 3.609 13.180 2.347 1.00 0.00 C ATOM 1430 OD1 ASN A 93 4.192 13.679 1.261 1.00 0.00 O flip ATOM 1431 ND2 ASN A 93 2.634 13.676 2.887 1.00 0.00 N flip ATOM 0 H ASN A 93 2.922 11.085 0.794 1.00 0.00 H new ATOM 0 HA ASN A 93 5.780 11.400 1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.550 11.337 3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.091 12.169 3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.236 13.241 3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.217 14.526 2.506 1.00 0.00 H new ATOM 1438 N PRO A 94 6.118 9.132 2.476 1.00 0.00 N ATOM 1439 CA PRO A 94 6.334 7.775 2.949 1.00 0.00 C ATOM 1440 C PRO A 94 5.951 7.641 4.424 1.00 0.00 C ATOM 1441 O PRO A 94 6.761 7.210 5.243 1.00 0.00 O ATOM 1442 CB PRO A 94 7.806 7.498 2.691 1.00 0.00 C ATOM 1443 CG PRO A 94 8.462 8.858 2.515 1.00 0.00 C ATOM 1444 CD PRO A 94 7.359 9.885 2.319 1.00 0.00 C ATOM 0 HA PRO A 94 5.709 7.046 2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.253 6.954 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.937 6.883 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.065 9.107 3.388 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.133 8.850 1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.431 10.688 3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.419 10.348 1.334 1.00 0.00 H new ATOM 1452 N PHE A 95 4.715 8.018 4.718 1.00 0.00 N ATOM 1453 CA PHE A 95 4.214 7.945 6.080 1.00 0.00 C ATOM 1454 C PHE A 95 5.285 8.380 7.082 1.00 0.00 C ATOM 1455 O PHE A 95 6.261 9.031 6.710 1.00 0.00 O ATOM 1456 CB PHE A 95 3.849 6.483 6.345 1.00 0.00 C ATOM 1457 CG PHE A 95 2.357 6.249 6.593 1.00 0.00 C ATOM 1458 CD1 PHE A 95 1.847 6.389 7.846 1.00 0.00 C ATOM 1459 CD2 PHE A 95 1.542 5.902 5.561 1.00 0.00 C ATOM 1460 CE1 PHE A 95 0.462 6.172 8.077 1.00 0.00 C ATOM 1461 CE2 PHE A 95 0.158 5.685 5.792 1.00 0.00 C ATOM 1462 CZ PHE A 95 -0.353 5.825 7.045 1.00 0.00 C ATOM 0 H PHE A 95 4.046 8.375 4.036 1.00 0.00 H new ATOM 0 HA PHE A 95 3.355 8.606 6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.164 5.880 5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.410 6.130 7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.495 6.665 8.665 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.947 5.792 4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.057 6.283 9.072 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.489 5.409 4.973 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.406 5.661 7.220 1.00 0.00 H new ATOM 1472 N ALA A 96 5.067 8.003 8.333 1.00 0.00 N ATOM 1473 CA ALA A 96 6.002 8.346 9.392 1.00 0.00 C ATOM 1474 C ALA A 96 6.396 9.819 9.260 1.00 0.00 C ATOM 1475 O ALA A 96 7.562 10.135 9.031 1.00 0.00 O ATOM 1476 CB ALA A 96 7.211 7.411 9.328 1.00 0.00 C ATOM 0 H ALA A 96 4.257 7.463 8.638 1.00 0.00 H new ATOM 0 HA ALA A 96 5.540 8.214 10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.912 7.668 10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.881 6.380 9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.703 7.518 8.361 1.00 0.00 H new ATOM 1482 N GLU A 97 5.401 10.680 9.411 1.00 0.00 N ATOM 1483 CA GLU A 97 5.629 12.112 9.313 1.00 0.00 C ATOM 1484 C GLU A 97 4.779 12.858 10.343 1.00 0.00 C ATOM 1485 O GLU A 97 3.625 13.190 10.077 1.00 0.00 O ATOM 1486 CB GLU A 97 5.342 12.617 7.897 1.00 0.00 C ATOM 1487 CG GLU A 97 6.580 13.280 7.290 1.00 0.00 C ATOM 1488 CD GLU A 97 6.460 13.377 5.768 1.00 0.00 C ATOM 1489 OE1 GLU A 97 5.543 14.097 5.316 1.00 0.00 O ATOM 1490 OE2 GLU A 97 7.287 12.729 5.091 1.00 0.00 O ATOM 0 H GLU A 97 4.435 10.414 9.601 1.00 0.00 H new ATOM 0 HA GLU A 97 6.679 12.308 9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.025 11.785 7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.518 13.330 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.707 14.277 7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.469 12.707 7.552 1.00 0.00 H new ATOM 1497 N ASN A 98 5.381 13.098 11.498 1.00 0.00 N ATOM 1498 CA ASN A 98 4.694 13.798 12.570 1.00 0.00 C ATOM 1499 C ASN A 98 3.500 12.962 13.035 1.00 0.00 C ATOM 1500 O ASN A 98 2.496 12.861 12.331 1.00 0.00 O ATOM 1501 CB ASN A 98 4.166 15.152 12.093 1.00 0.00 C ATOM 1502 CG ASN A 98 4.899 16.302 12.787 1.00 0.00 C ATOM 1503 OD1 ASN A 98 4.907 16.425 14.000 1.00 0.00 O ATOM 1504 ND2 ASN A 98 5.514 17.134 11.951 1.00 0.00 N ATOM 0 H ASN A 98 6.338 12.820 11.715 1.00 0.00 H new ATOM 0 HA ASN A 98 5.405 13.954 13.382 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.291 15.235 11.013 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.097 15.222 12.296 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.032 17.933 12.316 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.467 16.973 10.945 1.00 0.00 H new ATOM 1511 N SER A 99 3.648 12.384 14.218 1.00 0.00 N ATOM 1512 CA SER A 99 2.594 11.560 14.786 1.00 0.00 C ATOM 1513 C SER A 99 1.429 12.442 15.242 1.00 0.00 C ATOM 1514 O SER A 99 1.392 12.881 16.391 1.00 0.00 O ATOM 1515 CB SER A 99 3.117 10.725 15.955 1.00 0.00 C ATOM 1516 OG SER A 99 4.117 9.796 15.543 1.00 0.00 O ATOM 0 H SER A 99 4.482 12.470 14.799 1.00 0.00 H new ATOM 0 HA SER A 99 2.242 10.875 14.015 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.529 11.386 16.717 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.289 10.186 16.415 1.00 0.00 H new ATOM 0 HG SER A 99 4.427 9.283 16.319 1.00 0.00 H new ATOM 1522 N GLY A 100 0.507 12.674 14.320 1.00 0.00 N ATOM 1523 CA GLY A 100 -0.655 13.494 14.613 1.00 0.00 C ATOM 1524 C GLY A 100 -1.531 12.842 15.684 1.00 0.00 C ATOM 1525 O GLY A 100 -1.026 12.152 16.569 1.00 0.00 O ATOM 0 H GLY A 100 0.541 12.308 13.369 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.333 14.479 14.951 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.237 13.644 13.704 1.00 0.00 H new ATOM 1529 N PRO A 101 -2.863 13.089 15.567 1.00 0.00 N ATOM 1530 CA PRO A 101 -3.814 12.534 16.515 1.00 0.00 C ATOM 1531 C PRO A 101 -4.034 11.041 16.260 1.00 0.00 C ATOM 1532 O PRO A 101 -4.626 10.661 15.251 1.00 0.00 O ATOM 1533 CB PRO A 101 -5.077 13.359 16.335 1.00 0.00 C ATOM 1534 CG PRO A 101 -4.944 14.036 14.980 1.00 0.00 C ATOM 1535 CD PRO A 101 -3.497 13.902 14.533 1.00 0.00 C ATOM 0 HA PRO A 101 -3.462 12.589 17.545 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.964 12.727 16.370 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.179 14.096 17.131 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.612 13.573 14.254 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.227 15.086 15.048 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -3.427 13.425 13.556 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.017 14.877 14.446 1.00 0.00 H new ATOM 1543 N SER A 102 -3.545 10.236 17.192 1.00 0.00 N ATOM 1544 CA SER A 102 -3.680 8.794 17.080 1.00 0.00 C ATOM 1545 C SER A 102 -2.956 8.295 15.829 1.00 0.00 C ATOM 1546 O SER A 102 -3.529 8.278 14.741 1.00 0.00 O ATOM 1547 CB SER A 102 -5.153 8.380 17.042 1.00 0.00 C ATOM 1548 OG SER A 102 -5.375 7.135 17.697 1.00 0.00 O ATOM 0 H SER A 102 -3.055 10.555 18.028 1.00 0.00 H new ATOM 0 HA SER A 102 -3.225 8.339 17.960 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.759 9.152 17.516 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.483 8.308 16.006 1.00 0.00 H new ATOM 0 HG SER A 102 -6.327 6.907 17.652 1.00 0.00 H new ATOM 1554 N SER A 103 -1.706 7.901 16.024 1.00 0.00 N ATOM 1555 CA SER A 103 -0.897 7.403 14.925 1.00 0.00 C ATOM 1556 C SER A 103 -1.477 6.088 14.402 1.00 0.00 C ATOM 1557 O SER A 103 -1.064 5.010 14.827 1.00 0.00 O ATOM 1558 CB SER A 103 0.558 7.207 15.356 1.00 0.00 C ATOM 1559 OG SER A 103 1.376 6.750 14.283 1.00 0.00 O ATOM 0 H SER A 103 -1.234 7.917 16.928 1.00 0.00 H new ATOM 0 HA SER A 103 -0.914 8.144 14.126 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.953 8.149 15.737 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.600 6.489 16.175 1.00 0.00 H new ATOM 0 HG SER A 103 2.297 6.639 14.598 1.00 0.00 H new ATOM 1565 N GLY A 104 -2.427 6.219 13.487 1.00 0.00 N ATOM 1566 CA GLY A 104 -3.068 5.054 12.902 1.00 0.00 C ATOM 1567 C GLY A 104 -3.655 5.384 11.528 1.00 0.00 C ATOM 1568 O GLY A 104 -4.471 6.295 11.399 1.00 0.00 O ATOM 0 H GLY A 104 -2.768 7.114 13.137 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.344 4.245 12.807 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.858 4.699 13.563 1.00 0.00 H new TER 1572 GLY A 104