USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 929 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 66 THR OG1 : rot -160:sc= 0.264 USER MOD Set 1.2: A 115 THR OG1 : rot -52:sc= 0.584 USER MOD Set 2.1: A 69 SER OG : rot 30:sc= -0.694 USER MOD Set 2.2: A 112 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 34 SER OG : rot 176:sc= 0.803 USER MOD Set 3.2: A 41 GLN : amide:sc= -1.43 K(o=-0.62,f=-2.7!) USER MOD Single : A 1 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.7!) USER MOD Single : A 1 ASN N :NH3+ -105:sc= 0.0497 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.044) USER MOD Single : A 6 LYS NZ :NH3+ 144:sc= 0.0468 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 144:sc= 0.757 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 150:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.016) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.3) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 90:sc= -0.585 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.1) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -136:sc= 0.0569 USER MOD Single : A 51 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.22) USER MOD Single : A 52 SER OG : rot 158:sc= -0.424 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0454 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -2.16 K(o=-2.2,f=-8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -176:sc= -1.77 USER MOD Single : A 71 GLN : amide:sc= -4.63! C(o=-4.6!,f=-1.9!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.931 USER MOD Single : A 74 ASN : amide:sc= -4.25! C(o=-4.3!,f=-9.9!) USER MOD Single : A 76 SER OG : rot 78:sc= 0.00114 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.272 USER MOD Single : A 82 ASN : amide:sc= -0.0354 X(o=-0.035,f=-0.26) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 100 THR OG1 : rot 9:sc= 0.284! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.28) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.193 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 SER OG : rot -50:sc= 0.369 USER MOD Single : A 130 TYR OH : rot 100:sc= -0.977 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -9.513 -13.496 -17.592 1.00 0.00 N ATOM 2 CA ASN A 1 -8.376 -13.226 -18.464 1.00 0.00 C ATOM 3 C ASN A 1 -7.637 -11.966 -18.020 1.00 0.00 C ATOM 4 O ASN A 1 -8.225 -11.070 -17.414 1.00 0.00 O ATOM 5 CB ASN A 1 -8.841 -13.073 -19.913 1.00 0.00 C ATOM 6 CG ASN A 1 -8.833 -14.390 -20.666 1.00 0.00 C ATOM 7 OD1 ASN A 1 -8.588 -15.448 -20.085 1.00 0.00 O ATOM 8 ND2 ASN A 1 -9.101 -14.330 -21.964 1.00 0.00 N ATOM 0 H1 ASN A 1 -9.285 -14.290 -16.960 1.00 0.00 H new ATOM 0 H2 ASN A 1 -9.724 -12.650 -17.024 1.00 0.00 H new ATOM 0 H3 ASN A 1 -10.343 -13.741 -18.169 1.00 0.00 H new ATOM 0 HA ASN A 1 -7.691 -14.071 -18.397 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -9.848 -12.656 -19.926 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -8.195 -12.361 -20.426 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.110 -15.183 -22.523 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.298 -13.431 -22.403 1.00 0.00 H new ATOM 15 N LEU A 2 -6.345 -11.906 -18.326 1.00 0.00 N ATOM 16 CA LEU A 2 -5.525 -10.756 -17.959 1.00 0.00 C ATOM 17 C LEU A 2 -5.626 -10.471 -16.464 1.00 0.00 C ATOM 18 O LEU A 2 -6.437 -9.653 -16.032 1.00 0.00 O ATOM 19 CB LEU A 2 -5.955 -9.524 -18.756 1.00 0.00 C ATOM 20 CG LEU A 2 -5.101 -9.182 -19.977 1.00 0.00 C ATOM 21 CD1 LEU A 2 -3.689 -8.808 -19.554 1.00 0.00 C ATOM 22 CD2 LEU A 2 -5.075 -10.350 -20.953 1.00 0.00 C ATOM 0 H LEU A 2 -5.843 -12.639 -18.827 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.487 -10.989 -18.196 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.983 -9.671 -19.087 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.955 -8.664 -18.086 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.547 -8.323 -20.479 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.096 -8.568 -20.437 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.724 -7.941 -18.894 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.233 -9.646 -19.028 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.463 -10.089 -21.816 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.654 -11.226 -20.461 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.090 -10.572 -21.282 1.00 0.00 H new ATOM 34 N ALA A 3 -4.793 -11.149 -15.680 1.00 0.00 N ATOM 35 CA ALA A 3 -4.785 -10.964 -14.234 1.00 0.00 C ATOM 36 C ALA A 3 -3.484 -11.472 -13.623 1.00 0.00 C ATOM 37 O ALA A 3 -2.793 -12.306 -14.212 1.00 0.00 O ATOM 38 CB ALA A 3 -5.976 -11.671 -13.605 1.00 0.00 C ATOM 0 H ALA A 3 -4.116 -11.831 -16.022 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.860 -9.896 -14.029 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.957 -11.524 -12.525 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.900 -11.259 -14.011 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.925 -12.737 -13.827 1.00 0.00 H new ATOM 44 N LEU A 4 -3.153 -10.964 -12.441 1.00 0.00 N ATOM 45 CA LEU A 4 -1.932 -11.367 -11.750 1.00 0.00 C ATOM 46 C LEU A 4 -2.244 -11.869 -10.344 1.00 0.00 C ATOM 47 O LEU A 4 -3.261 -11.507 -9.755 1.00 0.00 O ATOM 48 CB LEU A 4 -0.953 -10.193 -11.680 1.00 0.00 C ATOM 49 CG LEU A 4 0.447 -10.454 -12.235 1.00 0.00 C ATOM 50 CD1 LEU A 4 1.196 -11.441 -11.354 1.00 0.00 C ATOM 51 CD2 LEU A 4 0.366 -10.968 -13.665 1.00 0.00 C ATOM 0 H LEU A 4 -3.712 -10.273 -11.941 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.475 -12.181 -12.313 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.386 -9.352 -12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.858 -9.887 -10.638 1.00 0.00 H new ATOM 0 HG LEU A 4 0.997 -9.513 -12.238 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.190 -11.614 -11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.286 -11.034 -10.347 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.650 -12.383 -11.317 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.372 -11.148 -14.044 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.202 -11.898 -13.686 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.130 -10.226 -14.291 1.00 0.00 H new ATOM 63 N ASN A 5 -1.357 -12.704 -9.811 1.00 0.00 N ATOM 64 CA ASN A 5 -1.536 -13.256 -8.473 1.00 0.00 C ATOM 65 C ASN A 5 -1.406 -12.166 -7.413 1.00 0.00 C ATOM 66 O ASN A 5 -1.747 -12.373 -6.248 1.00 0.00 O ATOM 67 CB ASN A 5 -0.511 -14.362 -8.213 1.00 0.00 C ATOM 68 CG ASN A 5 -1.160 -15.717 -8.012 1.00 0.00 C ATOM 69 OD1 ASN A 5 -0.815 -16.452 -7.086 1.00 0.00 O ATOM 70 ND2 ASN A 5 -2.105 -16.055 -8.882 1.00 0.00 N ATOM 0 H ASN A 5 -0.508 -13.013 -10.285 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.539 -13.679 -8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.182 -14.415 -9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.076 -14.109 -7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.577 -16.955 -8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.359 -15.414 -9.634 1.00 0.00 H new ATOM 77 N LYS A 6 -0.910 -11.005 -7.826 1.00 0.00 N ATOM 78 CA LYS A 6 -0.737 -9.880 -6.914 1.00 0.00 C ATOM 79 C LYS A 6 -2.045 -9.545 -6.207 1.00 0.00 C ATOM 80 O LYS A 6 -2.154 -9.672 -4.988 1.00 0.00 O ATOM 81 CB LYS A 6 -0.226 -8.654 -7.675 1.00 0.00 C ATOM 82 CG LYS A 6 0.604 -7.711 -6.823 1.00 0.00 C ATOM 83 CD LYS A 6 1.923 -7.367 -7.494 1.00 0.00 C ATOM 84 CE LYS A 6 2.836 -6.585 -6.562 1.00 0.00 C ATOM 85 NZ LYS A 6 4.275 -6.849 -6.845 1.00 0.00 N ATOM 0 H LYS A 6 -0.621 -10.818 -8.786 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.002 -10.165 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.373 -8.987 -8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.078 -8.108 -8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.041 -6.797 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.797 -8.170 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.422 -8.283 -7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.733 -6.782 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.635 -5.519 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.614 -6.851 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.823 -5.977 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.625 -7.588 -6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.383 -7.167 -7.829 1.00 0.00 H new ATOM 99 N ALA A 7 -3.038 -9.116 -6.982 1.00 0.00 N ATOM 100 CA ALA A 7 -4.341 -8.766 -6.429 1.00 0.00 C ATOM 101 C ALA A 7 -4.239 -7.555 -5.507 1.00 0.00 C ATOM 102 O ALA A 7 -3.543 -7.591 -4.493 1.00 0.00 O ATOM 103 CB ALA A 7 -4.933 -9.952 -5.683 1.00 0.00 C ATOM 0 H ALA A 7 -2.964 -9.003 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.001 -8.505 -7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.906 -9.677 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.051 -10.791 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.267 -10.239 -4.870 1.00 0.00 H new ATOM 109 N THR A 8 -4.938 -6.483 -5.868 1.00 0.00 N ATOM 110 CA THR A 8 -4.924 -5.261 -5.074 1.00 0.00 C ATOM 111 C THR A 8 -6.318 -4.649 -4.983 1.00 0.00 C ATOM 112 O THR A 8 -7.155 -4.855 -5.861 1.00 0.00 O ATOM 113 CB THR A 8 -3.957 -4.217 -5.665 1.00 0.00 C ATOM 114 OG1 THR A 8 -4.673 -3.305 -6.504 1.00 0.00 O ATOM 115 CG2 THR A 8 -2.856 -4.894 -6.467 1.00 0.00 C ATOM 0 H THR A 8 -5.520 -6.437 -6.704 1.00 0.00 H new ATOM 0 HA THR A 8 -4.584 -5.537 -4.076 1.00 0.00 H new ATOM 0 HB THR A 8 -3.501 -3.669 -4.841 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.051 -2.644 -6.874 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.185 -4.138 -6.875 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.294 -5.566 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.299 -5.464 -7.284 1.00 0.00 H new ATOM 123 N ALA A 9 -6.560 -3.897 -3.914 1.00 0.00 N ATOM 124 CA ALA A 9 -7.852 -3.254 -3.710 1.00 0.00 C ATOM 125 C ALA A 9 -7.713 -2.006 -2.844 1.00 0.00 C ATOM 126 O ALA A 9 -6.922 -1.977 -1.901 1.00 0.00 O ATOM 127 CB ALA A 9 -8.833 -4.229 -3.079 1.00 0.00 C ATOM 0 H ALA A 9 -5.878 -3.718 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.236 -2.949 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.794 -3.735 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.964 -5.089 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.446 -4.563 -2.116 1.00 0.00 H new ATOM 133 N THR A 10 -8.486 -0.976 -3.171 1.00 0.00 N ATOM 134 CA THR A 10 -8.448 0.276 -2.424 1.00 0.00 C ATOM 135 C THR A 10 -9.853 0.817 -2.186 1.00 0.00 C ATOM 136 O THR A 10 -10.833 0.276 -2.699 1.00 0.00 O ATOM 137 CB THR A 10 -7.618 1.344 -3.162 1.00 0.00 C ATOM 138 OG1 THR A 10 -8.487 2.253 -3.846 1.00 0.00 O ATOM 139 CG2 THR A 10 -6.666 0.699 -4.156 1.00 0.00 C ATOM 0 H THR A 10 -9.146 -0.983 -3.948 1.00 0.00 H new ATOM 0 HA THR A 10 -7.978 0.058 -1.465 1.00 0.00 H new ATOM 0 HB THR A 10 -7.031 1.890 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.108 3.156 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.091 1.473 -4.664 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.986 0.030 -3.628 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.237 0.130 -4.890 1.00 0.00 H new ATOM 147 N SER A 11 -9.945 1.886 -1.402 1.00 0.00 N ATOM 148 CA SER A 11 -11.232 2.499 -1.092 1.00 0.00 C ATOM 149 C SER A 11 -11.557 3.612 -2.083 1.00 0.00 C ATOM 150 O SER A 11 -12.698 3.753 -2.523 1.00 0.00 O ATOM 151 CB SER A 11 -11.226 3.055 0.334 1.00 0.00 C ATOM 152 OG SER A 11 -12.249 4.019 0.509 1.00 0.00 O ATOM 0 H SER A 11 -9.144 2.346 -0.970 1.00 0.00 H new ATOM 0 HA SER A 11 -12.001 1.730 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.363 2.241 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.257 3.506 0.548 1.00 0.00 H new ATOM 0 HG SER A 11 -12.225 4.358 1.428 1.00 0.00 H new ATOM 158 N SER A 12 -10.545 4.401 -2.430 1.00 0.00 N ATOM 159 CA SER A 12 -10.723 5.505 -3.366 1.00 0.00 C ATOM 160 C SER A 12 -9.886 5.290 -4.624 1.00 0.00 C ATOM 161 O SER A 12 -8.758 4.804 -4.556 1.00 0.00 O ATOM 162 CB SER A 12 -10.337 6.829 -2.704 1.00 0.00 C ATOM 163 OG SER A 12 -11.484 7.615 -2.431 1.00 0.00 O ATOM 0 H SER A 12 -9.594 4.296 -2.077 1.00 0.00 H new ATOM 0 HA SER A 12 -11.774 5.542 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.798 6.632 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.660 7.382 -3.356 1.00 0.00 H new ATOM 0 HG SER A 12 -11.318 8.174 -1.643 1.00 0.00 H new ATOM 169 N ILE A 13 -10.451 5.655 -5.771 1.00 0.00 N ATOM 170 CA ILE A 13 -9.757 5.504 -7.044 1.00 0.00 C ATOM 171 C ILE A 13 -10.404 6.362 -8.127 1.00 0.00 C ATOM 172 O ILE A 13 -11.628 6.455 -8.210 1.00 0.00 O ATOM 173 CB ILE A 13 -9.746 4.035 -7.508 1.00 0.00 C ATOM 174 CG1 ILE A 13 -9.006 3.904 -8.840 1.00 0.00 C ATOM 175 CG2 ILE A 13 -11.167 3.507 -7.630 1.00 0.00 C ATOM 176 CD1 ILE A 13 -9.001 2.496 -9.393 1.00 0.00 C ATOM 0 H ILE A 13 -11.386 6.057 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.730 5.835 -6.886 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.221 3.438 -6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.467 4.570 -9.569 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.977 4.238 -8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.142 2.468 -7.959 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.663 3.569 -6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.716 4.105 -8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.459 2.478 -10.338 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.514 1.828 -8.683 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.027 2.166 -9.557 1.00 0.00 H new ATOM 188 N GLU A 14 -9.571 6.985 -8.955 1.00 0.00 N ATOM 189 CA GLU A 14 -10.063 7.835 -10.034 1.00 0.00 C ATOM 190 C GLU A 14 -11.101 7.098 -10.877 1.00 0.00 C ATOM 191 O GLU A 14 -12.213 7.586 -11.080 1.00 0.00 O ATOM 192 CB GLU A 14 -8.903 8.293 -10.920 1.00 0.00 C ATOM 193 CG GLU A 14 -8.195 9.534 -10.400 1.00 0.00 C ATOM 194 CD GLU A 14 -9.045 10.784 -10.520 1.00 0.00 C ATOM 195 OE1 GLU A 14 -10.254 10.654 -10.803 1.00 0.00 O ATOM 196 OE2 GLU A 14 -8.502 11.892 -10.330 1.00 0.00 O ATOM 0 H GLU A 14 -8.555 6.918 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.537 8.709 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.180 7.482 -11.007 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.280 8.493 -11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.924 9.382 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.266 9.676 -10.953 1.00 0.00 H new ATOM 203 N THR A 15 -10.728 5.919 -11.367 1.00 0.00 N ATOM 204 CA THR A 15 -11.624 5.117 -12.189 1.00 0.00 C ATOM 205 C THR A 15 -12.631 4.361 -11.328 1.00 0.00 C ATOM 206 O THR A 15 -12.734 4.599 -10.126 1.00 0.00 O ATOM 207 CB THR A 15 -10.842 4.107 -13.050 1.00 0.00 C ATOM 208 OG1 THR A 15 -10.344 3.044 -12.229 1.00 0.00 O ATOM 209 CG2 THR A 15 -9.683 4.787 -13.764 1.00 0.00 C ATOM 0 H THR A 15 -9.812 5.500 -11.208 1.00 0.00 H new ATOM 0 HA THR A 15 -12.156 5.807 -12.844 1.00 0.00 H new ATOM 0 HB THR A 15 -11.522 3.700 -13.799 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.850 2.406 -12.785 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.146 4.054 -14.366 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.067 5.576 -14.411 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.005 5.219 -13.028 1.00 0.00 H new ATOM 217 N ALA A 16 -13.370 3.450 -11.953 1.00 0.00 N ATOM 218 CA ALA A 16 -14.366 2.658 -11.244 1.00 0.00 C ATOM 219 C ALA A 16 -13.776 1.337 -10.762 1.00 0.00 C ATOM 220 O ALA A 16 -14.406 0.286 -10.877 1.00 0.00 O ATOM 221 CB ALA A 16 -15.573 2.406 -12.136 1.00 0.00 C ATOM 0 H ALA A 16 -13.297 3.243 -12.949 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.687 3.223 -10.369 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.309 1.813 -11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.017 3.359 -12.426 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.259 1.866 -13.029 1.00 0.00 H new ATOM 227 N GLY A 17 -12.563 1.397 -10.223 1.00 0.00 N ATOM 228 CA GLY A 17 -11.907 0.199 -9.733 1.00 0.00 C ATOM 229 C GLY A 17 -11.409 -0.689 -10.855 1.00 0.00 C ATOM 230 O GLY A 17 -12.179 -1.443 -11.450 1.00 0.00 O ATOM 0 H GLY A 17 -12.022 2.255 -10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.068 0.482 -9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.602 -0.363 -9.110 1.00 0.00 H new ATOM 234 N HIS A 18 -10.114 -0.600 -11.148 1.00 0.00 N ATOM 235 CA HIS A 18 -9.514 -1.401 -12.208 1.00 0.00 C ATOM 236 C HIS A 18 -8.035 -1.063 -12.373 1.00 0.00 C ATOM 237 O HIS A 18 -7.237 -1.909 -12.775 1.00 0.00 O ATOM 238 CB HIS A 18 -10.251 -1.173 -13.528 1.00 0.00 C ATOM 239 CG HIS A 18 -10.785 -2.432 -14.140 1.00 0.00 C ATOM 240 ND1 HIS A 18 -11.991 -2.493 -14.807 1.00 0.00 N ATOM 241 CD2 HIS A 18 -10.268 -3.682 -14.187 1.00 0.00 C ATOM 242 CE1 HIS A 18 -12.193 -3.726 -15.234 1.00 0.00 C ATOM 243 NE2 HIS A 18 -11.162 -4.468 -14.872 1.00 0.00 N ATOM 0 H HIS A 18 -9.462 0.019 -10.666 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.600 -2.451 -11.929 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.077 -0.482 -13.359 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.574 -0.694 -14.235 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.327 -4.002 -13.764 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.055 -4.070 -15.786 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.048 -5.462 -15.069 1.00 0.00 H new ATOM 251 N GLU A 19 -7.678 0.179 -12.059 1.00 0.00 N ATOM 252 CA GLU A 19 -6.295 0.628 -12.175 1.00 0.00 C ATOM 253 C GLU A 19 -5.385 -0.174 -11.250 1.00 0.00 C ATOM 254 O GLU A 19 -4.182 -0.283 -11.487 1.00 0.00 O ATOM 255 CB GLU A 19 -6.192 2.118 -11.845 1.00 0.00 C ATOM 256 CG GLU A 19 -5.536 2.941 -12.942 1.00 0.00 C ATOM 257 CD GLU A 19 -5.367 4.397 -12.558 1.00 0.00 C ATOM 258 OE1 GLU A 19 -5.806 4.772 -11.450 1.00 0.00 O ATOM 259 OE2 GLU A 19 -4.795 5.161 -13.363 1.00 0.00 O ATOM 0 H GLU A 19 -8.326 0.891 -11.723 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.971 0.468 -13.203 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.192 2.510 -11.657 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.624 2.239 -10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.560 2.515 -13.176 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.138 2.876 -13.849 1.00 0.00 H new ATOM 266 N GLY A 20 -5.967 -0.735 -10.194 1.00 0.00 N ATOM 267 CA GLY A 20 -5.194 -1.518 -9.249 1.00 0.00 C ATOM 268 C GLY A 20 -4.697 -2.820 -9.846 1.00 0.00 C ATOM 269 O GLY A 20 -3.611 -3.292 -9.508 1.00 0.00 O ATOM 0 H GLY A 20 -6.961 -0.661 -9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.342 -0.931 -8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.806 -1.733 -8.373 1.00 0.00 H new ATOM 273 N ASP A 21 -5.494 -3.405 -10.734 1.00 0.00 N ATOM 274 CA ASP A 21 -5.129 -4.661 -11.378 1.00 0.00 C ATOM 275 C ASP A 21 -4.088 -4.430 -12.468 1.00 0.00 C ATOM 276 O ASP A 21 -3.587 -5.377 -13.074 1.00 0.00 O ATOM 277 CB ASP A 21 -6.369 -5.331 -11.973 1.00 0.00 C ATOM 278 CG ASP A 21 -6.043 -6.641 -12.665 1.00 0.00 C ATOM 279 OD1 ASP A 21 -6.060 -7.689 -11.989 1.00 0.00 O ATOM 280 OD2 ASP A 21 -5.769 -6.615 -13.884 1.00 0.00 O ATOM 0 H ASP A 21 -6.397 -3.029 -11.024 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.697 -5.317 -10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.096 -5.513 -11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.838 -4.653 -12.686 1.00 0.00 H new ATOM 285 N LYS A 22 -3.767 -3.165 -12.714 1.00 0.00 N ATOM 286 CA LYS A 22 -2.786 -2.808 -13.731 1.00 0.00 C ATOM 287 C LYS A 22 -1.389 -3.270 -13.325 1.00 0.00 C ATOM 288 O LYS A 22 -0.463 -3.263 -14.136 1.00 0.00 O ATOM 289 CB LYS A 22 -2.786 -1.295 -13.961 1.00 0.00 C ATOM 290 CG LYS A 22 -4.107 -0.761 -14.488 1.00 0.00 C ATOM 291 CD LYS A 22 -4.284 -1.072 -15.966 1.00 0.00 C ATOM 292 CE LYS A 22 -5.555 -0.445 -16.518 1.00 0.00 C ATOM 293 NZ LYS A 22 -6.358 -1.421 -17.306 1.00 0.00 N ATOM 0 H LYS A 22 -4.173 -2.369 -12.222 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.062 -3.311 -14.658 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.549 -0.793 -13.023 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.994 -1.043 -14.666 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.929 -1.199 -13.922 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.152 0.317 -14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.423 -0.702 -16.523 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.317 -2.152 -16.110 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.157 -0.060 -15.695 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.296 0.405 -17.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.216 -0.955 -17.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.793 -1.770 -18.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.627 -2.221 -16.698 1.00 0.00 H new ATOM 307 N ALA A 23 -1.246 -3.673 -12.067 1.00 0.00 N ATOM 308 CA ALA A 23 0.036 -4.141 -11.555 1.00 0.00 C ATOM 309 C ALA A 23 0.538 -5.341 -12.350 1.00 0.00 C ATOM 310 O ALA A 23 1.721 -5.679 -12.303 1.00 0.00 O ATOM 311 CB ALA A 23 -0.081 -4.493 -10.080 1.00 0.00 C ATOM 0 H ALA A 23 -2.003 -3.685 -11.383 1.00 0.00 H new ATOM 0 HA ALA A 23 0.761 -3.335 -11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.884 -4.841 -9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.387 -3.610 -9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.824 -5.280 -9.952 1.00 0.00 H new ATOM 317 N VAL A 24 -0.370 -5.984 -13.079 1.00 0.00 N ATOM 318 CA VAL A 24 -0.018 -7.148 -13.884 1.00 0.00 C ATOM 319 C VAL A 24 1.243 -6.890 -14.702 1.00 0.00 C ATOM 320 O VAL A 24 2.055 -7.792 -14.908 1.00 0.00 O ATOM 321 CB VAL A 24 -1.164 -7.538 -14.837 1.00 0.00 C ATOM 322 CG1 VAL A 24 -0.761 -8.724 -15.700 1.00 0.00 C ATOM 323 CG2 VAL A 24 -2.429 -7.845 -14.050 1.00 0.00 C ATOM 0 H VAL A 24 -1.354 -5.719 -13.128 1.00 0.00 H new ATOM 0 HA VAL A 24 0.164 -7.969 -13.191 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.369 -6.694 -15.496 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.583 -8.985 -16.367 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.116 -8.462 -16.291 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.527 -9.576 -15.061 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.228 -8.119 -14.739 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.240 -8.672 -13.366 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.726 -6.964 -13.481 1.00 0.00 H new ATOM 333 N ASP A 25 1.399 -5.655 -15.165 1.00 0.00 N ATOM 334 CA ASP A 25 2.562 -5.278 -15.959 1.00 0.00 C ATOM 335 C ASP A 25 3.855 -5.595 -15.213 1.00 0.00 C ATOM 336 O ASP A 25 4.803 -6.123 -15.791 1.00 0.00 O ATOM 337 CB ASP A 25 2.509 -3.789 -16.304 1.00 0.00 C ATOM 338 CG ASP A 25 2.321 -3.544 -17.788 1.00 0.00 C ATOM 339 OD1 ASP A 25 3.334 -3.497 -18.515 1.00 0.00 O ATOM 340 OD2 ASP A 25 1.158 -3.401 -18.222 1.00 0.00 O ATOM 0 H ASP A 25 0.735 -4.898 -15.004 1.00 0.00 H new ATOM 0 HA ASP A 25 2.545 -5.858 -16.882 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.692 -3.321 -15.755 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.431 -3.310 -15.974 1.00 0.00 H new ATOM 345 N GLY A 26 3.886 -5.265 -13.926 1.00 0.00 N ATOM 346 CA GLY A 26 5.067 -5.521 -13.122 1.00 0.00 C ATOM 347 C GLY A 26 6.213 -4.589 -13.463 1.00 0.00 C ATOM 348 O GLY A 26 7.379 -4.936 -13.284 1.00 0.00 O ATOM 0 H GLY A 26 3.114 -4.825 -13.425 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.815 -5.412 -12.067 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.386 -6.553 -13.268 1.00 0.00 H new ATOM 352 N ASN A 27 5.880 -3.401 -13.958 1.00 0.00 N ATOM 353 CA ASN A 27 6.889 -2.416 -14.327 1.00 0.00 C ATOM 354 C ASN A 27 6.353 -0.997 -14.162 1.00 0.00 C ATOM 355 O ASN A 27 5.321 -0.784 -13.527 1.00 0.00 O ATOM 356 CB ASN A 27 7.343 -2.637 -15.772 1.00 0.00 C ATOM 357 CG ASN A 27 8.841 -2.466 -15.940 1.00 0.00 C ATOM 358 OD1 ASN A 27 9.621 -2.832 -15.061 1.00 0.00 O ATOM 359 ND2 ASN A 27 9.248 -1.908 -17.074 1.00 0.00 N ATOM 0 H ASN A 27 4.919 -3.098 -14.113 1.00 0.00 H new ATOM 0 HA ASN A 27 7.743 -2.542 -13.661 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.056 -3.639 -16.091 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.824 -1.934 -16.424 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.244 -1.767 -17.245 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.565 -1.620 -17.775 1.00 0.00 H new ATOM 366 N ALA A 28 7.061 -0.032 -14.737 1.00 0.00 N ATOM 367 CA ALA A 28 6.656 1.366 -14.656 1.00 0.00 C ATOM 368 C ALA A 28 5.463 1.644 -15.565 1.00 0.00 C ATOM 369 O ALA A 28 4.935 2.756 -15.589 1.00 0.00 O ATOM 370 CB ALA A 28 7.820 2.276 -15.018 1.00 0.00 C ATOM 0 H ALA A 28 7.919 -0.192 -15.265 1.00 0.00 H new ATOM 0 HA ALA A 28 6.355 1.572 -13.629 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.502 3.317 -14.953 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.645 2.105 -14.326 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.148 2.060 -16.035 1.00 0.00 H new ATOM 376 N ALA A 29 5.043 0.628 -16.311 1.00 0.00 N ATOM 377 CA ALA A 29 3.911 0.764 -17.220 1.00 0.00 C ATOM 378 C ALA A 29 2.612 0.975 -16.451 1.00 0.00 C ATOM 379 O ALA A 29 1.582 1.320 -17.033 1.00 0.00 O ATOM 380 CB ALA A 29 3.804 -0.462 -18.116 1.00 0.00 C ATOM 0 H ALA A 29 5.469 -0.299 -16.304 1.00 0.00 H new ATOM 0 HA ALA A 29 4.080 1.642 -17.843 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.955 -0.347 -18.790 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.719 -0.567 -18.700 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.662 -1.351 -17.501 1.00 0.00 H new ATOM 386 N THR A 30 2.665 0.766 -15.139 1.00 0.00 N ATOM 387 CA THR A 30 1.491 0.932 -14.290 1.00 0.00 C ATOM 388 C THR A 30 1.507 2.286 -13.591 1.00 0.00 C ATOM 389 O THR A 30 2.514 2.681 -13.005 1.00 0.00 O ATOM 390 CB THR A 30 1.404 -0.180 -13.229 1.00 0.00 C ATOM 391 OG1 THR A 30 2.254 0.131 -12.120 1.00 0.00 O ATOM 392 CG2 THR A 30 1.805 -1.524 -13.819 1.00 0.00 C ATOM 0 H THR A 30 3.509 0.481 -14.641 1.00 0.00 H new ATOM 0 HA THR A 30 0.618 0.872 -14.940 1.00 0.00 H new ATOM 0 HB THR A 30 0.371 -0.244 -12.887 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.191 -0.581 -11.450 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.736 -2.294 -13.051 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.137 -1.773 -14.644 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.830 -1.469 -14.186 1.00 0.00 H new ATOM 400 N ARG A 31 0.383 2.992 -13.655 1.00 0.00 N ATOM 401 CA ARG A 31 0.268 4.304 -13.027 1.00 0.00 C ATOM 402 C ARG A 31 -1.069 4.444 -12.304 1.00 0.00 C ATOM 403 O ARG A 31 -2.114 4.599 -12.935 1.00 0.00 O ATOM 404 CB ARG A 31 0.411 5.409 -14.075 1.00 0.00 C ATOM 405 CG ARG A 31 1.845 5.643 -14.521 1.00 0.00 C ATOM 406 CD ARG A 31 2.201 4.786 -15.725 1.00 0.00 C ATOM 407 NE ARG A 31 1.980 5.492 -16.984 1.00 0.00 N ATOM 408 CZ ARG A 31 2.370 5.028 -18.166 1.00 0.00 C ATOM 409 NH1 ARG A 31 2.997 3.862 -18.249 1.00 0.00 N ATOM 410 NH2 ARG A 31 2.132 5.729 -19.267 1.00 0.00 N ATOM 0 H ARG A 31 -0.461 2.678 -14.135 1.00 0.00 H new ATOM 0 HA ARG A 31 1.070 4.401 -12.295 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.194 5.154 -14.945 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.010 6.337 -13.669 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.983 6.695 -14.769 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.524 5.417 -13.699 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.246 4.483 -15.658 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.603 3.875 -15.711 1.00 0.00 H new ATOM 0 HE ARG A 31 1.500 6.391 -16.954 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.180 3.320 -17.404 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.296 3.507 -19.157 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.649 6.625 -19.206 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.432 5.372 -20.174 1.00 0.00 H new ATOM 424 N TRP A 32 -1.026 4.386 -10.977 1.00 0.00 N ATOM 425 CA TRP A 32 -2.233 4.506 -10.168 1.00 0.00 C ATOM 426 C TRP A 32 -2.461 5.953 -9.742 1.00 0.00 C ATOM 427 O TRP A 32 -1.535 6.633 -9.304 1.00 0.00 O ATOM 428 CB TRP A 32 -2.136 3.608 -8.934 1.00 0.00 C ATOM 429 CG TRP A 32 -3.203 3.880 -7.916 1.00 0.00 C ATOM 430 CD1 TRP A 32 -3.189 4.851 -6.955 1.00 0.00 C ATOM 431 CD2 TRP A 32 -4.436 3.171 -7.757 1.00 0.00 C ATOM 432 NE1 TRP A 32 -4.341 4.788 -6.209 1.00 0.00 N ATOM 433 CE2 TRP A 32 -5.124 3.767 -6.681 1.00 0.00 C ATOM 434 CE3 TRP A 32 -5.029 2.093 -8.420 1.00 0.00 C ATOM 435 CZ2 TRP A 32 -6.370 3.318 -6.254 1.00 0.00 C ATOM 436 CZ3 TRP A 32 -6.266 1.649 -7.995 1.00 0.00 C ATOM 437 CH2 TRP A 32 -6.926 2.261 -6.921 1.00 0.00 C ATOM 0 H TRP A 32 -0.169 4.257 -10.439 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.080 4.187 -10.775 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.199 2.566 -9.246 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.159 3.744 -8.471 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.391 5.563 -6.804 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.576 5.402 -5.429 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.529 1.616 -9.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.880 3.787 -5.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.733 0.816 -8.499 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.893 1.891 -6.614 1.00 0.00 H new ATOM 448 N ALA A 33 -3.700 6.416 -9.874 1.00 0.00 N ATOM 449 CA ALA A 33 -4.049 7.781 -9.499 1.00 0.00 C ATOM 450 C ALA A 33 -5.409 7.830 -8.812 1.00 0.00 C ATOM 451 O ALA A 33 -6.428 7.469 -9.401 1.00 0.00 O ATOM 452 CB ALA A 33 -4.042 8.682 -10.726 1.00 0.00 C ATOM 0 H ALA A 33 -4.478 5.866 -10.238 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.301 8.141 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.304 9.698 -10.433 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.048 8.679 -11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.768 8.315 -11.451 1.00 0.00 H new ATOM 458 N SER A 34 -5.418 8.281 -7.561 1.00 0.00 N ATOM 459 CA SER A 34 -6.653 8.374 -6.791 1.00 0.00 C ATOM 460 C SER A 34 -7.248 9.776 -6.884 1.00 0.00 C ATOM 461 O SER A 34 -6.528 10.773 -6.822 1.00 0.00 O ATOM 462 CB SER A 34 -6.394 8.014 -5.327 1.00 0.00 C ATOM 463 OG SER A 34 -7.267 8.725 -4.465 1.00 0.00 O ATOM 0 H SER A 34 -4.584 8.587 -7.060 1.00 0.00 H new ATOM 0 HA SER A 34 -7.368 7.667 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.529 6.942 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.359 8.242 -5.071 1.00 0.00 H new ATOM 0 HG SER A 34 -7.130 8.427 -3.542 1.00 0.00 H new ATOM 469 N ALA A 35 -8.567 9.844 -7.035 1.00 0.00 N ATOM 470 CA ALA A 35 -9.258 11.123 -7.136 1.00 0.00 C ATOM 471 C ALA A 35 -8.815 12.076 -6.030 1.00 0.00 C ATOM 472 O ALA A 35 -8.946 11.772 -4.845 1.00 0.00 O ATOM 473 CB ALA A 35 -10.765 10.914 -7.080 1.00 0.00 C ATOM 0 H ALA A 35 -9.178 9.029 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.998 11.573 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.269 11.877 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.075 10.276 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.032 10.439 -6.136 1.00 0.00 H new ATOM 479 N TYR A 36 -8.288 13.229 -6.427 1.00 0.00 N ATOM 480 CA TYR A 36 -7.821 14.225 -5.470 1.00 0.00 C ATOM 481 C TYR A 36 -8.834 14.415 -4.344 1.00 0.00 C ATOM 482 O TYR A 36 -9.980 14.792 -4.582 1.00 0.00 O ATOM 483 CB TYR A 36 -7.568 15.559 -6.173 1.00 0.00 C ATOM 484 CG TYR A 36 -8.582 15.880 -7.248 1.00 0.00 C ATOM 485 CD1 TYR A 36 -9.808 16.448 -6.927 1.00 0.00 C ATOM 486 CD2 TYR A 36 -8.314 15.613 -8.586 1.00 0.00 C ATOM 487 CE1 TYR A 36 -10.738 16.742 -7.905 1.00 0.00 C ATOM 488 CE2 TYR A 36 -9.238 15.903 -9.571 1.00 0.00 C ATOM 489 CZ TYR A 36 -10.448 16.468 -9.226 1.00 0.00 C ATOM 490 OH TYR A 36 -11.371 16.759 -10.204 1.00 0.00 O ATOM 0 H TYR A 36 -8.174 13.497 -7.405 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.887 13.867 -5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.573 16.358 -5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.573 15.543 -6.617 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.038 16.664 -5.894 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.367 15.171 -8.860 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -11.687 17.184 -7.637 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.014 15.689 -10.606 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.011 16.506 -11.080 1.00 0.00 H new ATOM 500 N GLY A 37 -8.399 14.152 -3.116 1.00 0.00 N ATOM 501 CA GLY A 37 -9.277 14.300 -1.971 1.00 0.00 C ATOM 502 C GLY A 37 -9.709 12.965 -1.394 1.00 0.00 C ATOM 503 O GLY A 37 -9.202 11.917 -1.794 1.00 0.00 O ATOM 0 H GLY A 37 -7.454 13.839 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.768 14.878 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.160 14.868 -2.265 1.00 0.00 H new ATOM 507 N ALA A 38 -10.645 13.004 -0.452 1.00 0.00 N ATOM 508 CA ALA A 38 -11.144 11.789 0.179 1.00 0.00 C ATOM 509 C ALA A 38 -10.060 11.122 1.019 1.00 0.00 C ATOM 510 O ALA A 38 -10.212 9.979 1.450 1.00 0.00 O ATOM 511 CB ALA A 38 -11.669 10.824 -0.873 1.00 0.00 C ATOM 0 H ALA A 38 -11.073 13.864 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.963 12.064 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.038 9.921 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.481 11.296 -1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.865 10.563 -1.561 1.00 0.00 H new ATOM 517 N SER A 39 -8.965 11.842 1.245 1.00 0.00 N ATOM 518 CA SER A 39 -7.853 11.317 2.029 1.00 0.00 C ATOM 519 C SER A 39 -8.151 11.410 3.523 1.00 0.00 C ATOM 520 O SER A 39 -9.089 12.079 3.955 1.00 0.00 O ATOM 521 CB SER A 39 -6.568 12.080 1.705 1.00 0.00 C ATOM 522 OG SER A 39 -5.640 11.252 1.027 1.00 0.00 O ATOM 0 H SER A 39 -8.825 12.790 0.896 1.00 0.00 H new ATOM 0 HA SER A 39 -7.719 10.267 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.803 12.948 1.089 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.121 12.454 2.626 1.00 0.00 H new ATOM 0 HG SER A 39 -5.786 11.320 0.060 1.00 0.00 H new ATOM 528 N PRO A 40 -7.332 10.720 4.332 1.00 0.00 N ATOM 529 CA PRO A 40 -6.212 9.919 3.828 1.00 0.00 C ATOM 530 C PRO A 40 -6.679 8.675 3.080 1.00 0.00 C ATOM 531 O PRO A 40 -7.750 8.139 3.359 1.00 0.00 O ATOM 532 CB PRO A 40 -5.458 9.527 5.100 1.00 0.00 C ATOM 533 CG PRO A 40 -6.484 9.570 6.179 1.00 0.00 C ATOM 534 CD PRO A 40 -7.437 10.670 5.799 1.00 0.00 C ATOM 0 HA PRO A 40 -5.606 10.471 3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.020 8.533 5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.640 10.218 5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.003 8.615 6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.024 9.769 7.147 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.454 10.450 6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.157 11.620 6.255 1.00 0.00 H new ATOM 542 N GLN A 41 -5.869 8.223 2.129 1.00 0.00 N ATOM 543 CA GLN A 41 -6.200 7.042 1.341 1.00 0.00 C ATOM 544 C GLN A 41 -5.488 5.807 1.884 1.00 0.00 C ATOM 545 O GLN A 41 -4.640 5.908 2.772 1.00 0.00 O ATOM 546 CB GLN A 41 -5.823 7.259 -0.125 1.00 0.00 C ATOM 547 CG GLN A 41 -6.977 7.039 -1.089 1.00 0.00 C ATOM 548 CD GLN A 41 -7.956 8.198 -1.103 1.00 0.00 C ATOM 549 OE1 GLN A 41 -7.877 9.083 -1.955 1.00 0.00 O ATOM 550 NE2 GLN A 41 -8.885 8.198 -0.155 1.00 0.00 N ATOM 0 H GLN A 41 -4.979 8.657 1.885 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.275 6.879 1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.446 8.274 -0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.009 6.583 -0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.582 6.890 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.505 6.126 -0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.913 7.444 0.531 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.571 8.952 -0.113 1.00 0.00 H new ATOM 559 N TRP A 42 -5.837 4.645 1.345 1.00 0.00 N ATOM 560 CA TRP A 42 -5.231 3.391 1.777 1.00 0.00 C ATOM 561 C TRP A 42 -5.420 2.304 0.724 1.00 0.00 C ATOM 562 O TRP A 42 -6.359 2.354 -0.071 1.00 0.00 O ATOM 563 CB TRP A 42 -5.835 2.939 3.107 1.00 0.00 C ATOM 564 CG TRP A 42 -7.274 2.532 2.998 1.00 0.00 C ATOM 565 CD1 TRP A 42 -8.353 3.361 2.890 1.00 0.00 C ATOM 566 CD2 TRP A 42 -7.788 1.196 2.989 1.00 0.00 C ATOM 567 NE1 TRP A 42 -9.509 2.620 2.814 1.00 0.00 N ATOM 568 CE2 TRP A 42 -9.189 1.290 2.873 1.00 0.00 C ATOM 569 CE3 TRP A 42 -7.202 -0.070 3.068 1.00 0.00 C ATOM 570 CZ2 TRP A 42 -10.009 0.166 2.833 1.00 0.00 C ATOM 571 CZ3 TRP A 42 -8.017 -1.185 3.029 1.00 0.00 C ATOM 572 CH2 TRP A 42 -9.408 -1.062 2.911 1.00 0.00 C ATOM 0 H TRP A 42 -6.536 4.545 0.609 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.163 3.561 1.911 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -5.256 2.101 3.495 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.748 3.749 3.831 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.306 4.440 2.868 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.452 3.000 2.728 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -6.131 -0.175 3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.081 0.259 2.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.574 -2.168 3.091 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.018 -1.953 2.881 1.00 0.00 H new ATOM 583 N ILE A 43 -4.523 1.323 0.724 1.00 0.00 N ATOM 584 CA ILE A 43 -4.593 0.225 -0.231 1.00 0.00 C ATOM 585 C ILE A 43 -4.000 -1.052 0.355 1.00 0.00 C ATOM 586 O ILE A 43 -2.941 -1.025 0.984 1.00 0.00 O ATOM 587 CB ILE A 43 -3.854 0.567 -1.538 1.00 0.00 C ATOM 588 CG1 ILE A 43 -3.946 -0.601 -2.523 1.00 0.00 C ATOM 589 CG2 ILE A 43 -2.401 0.913 -1.251 1.00 0.00 C ATOM 590 CD1 ILE A 43 -3.630 -0.213 -3.950 1.00 0.00 C ATOM 0 H ILE A 43 -3.740 1.267 1.375 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.649 0.066 -0.451 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.331 1.437 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.259 -1.387 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.951 -1.021 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.893 1.152 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.357 1.773 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.911 0.062 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.715 -1.089 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.333 0.551 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.615 0.180 -4.004 1.00 0.00 H new ATOM 602 N TYR A 44 -4.687 -2.168 0.144 1.00 0.00 N ATOM 603 CA TYR A 44 -4.229 -3.457 0.652 1.00 0.00 C ATOM 604 C TYR A 44 -3.998 -4.441 -0.491 1.00 0.00 C ATOM 605 O TYR A 44 -4.644 -4.360 -1.536 1.00 0.00 O ATOM 606 CB TYR A 44 -5.247 -4.031 1.637 1.00 0.00 C ATOM 607 CG TYR A 44 -6.466 -4.629 0.969 1.00 0.00 C ATOM 608 CD1 TYR A 44 -6.472 -5.955 0.552 1.00 0.00 C ATOM 609 CD2 TYR A 44 -7.609 -3.869 0.755 1.00 0.00 C ATOM 610 CE1 TYR A 44 -7.582 -6.505 -0.059 1.00 0.00 C ATOM 611 CE2 TYR A 44 -8.723 -4.412 0.147 1.00 0.00 C ATOM 612 CZ TYR A 44 -8.705 -5.730 -0.259 1.00 0.00 C ATOM 613 OH TYR A 44 -9.813 -6.274 -0.867 1.00 0.00 O ATOM 0 H TYR A 44 -5.564 -2.207 -0.376 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.282 -3.300 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.762 -4.797 2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.566 -3.242 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.595 -6.565 0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.626 -2.836 1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.570 -7.537 -0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.604 -3.808 -0.010 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.517 -5.596 -0.931 1.00 0.00 H new ATOM 623 N ILE A 45 -3.072 -5.372 -0.283 1.00 0.00 N ATOM 624 CA ILE A 45 -2.756 -6.373 -1.292 1.00 0.00 C ATOM 625 C ILE A 45 -2.713 -7.771 -0.686 1.00 0.00 C ATOM 626 O ILE A 45 -2.033 -8.005 0.312 1.00 0.00 O ATOM 627 CB ILE A 45 -1.406 -6.080 -1.974 1.00 0.00 C ATOM 628 CG1 ILE A 45 -1.419 -4.685 -2.601 1.00 0.00 C ATOM 629 CG2 ILE A 45 -1.103 -7.137 -3.026 1.00 0.00 C ATOM 630 CD1 ILE A 45 -0.154 -4.351 -3.360 1.00 0.00 C ATOM 0 H ILE A 45 -2.528 -5.453 0.576 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.549 -6.328 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.620 -6.111 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.270 -4.608 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.568 -3.944 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.146 -6.916 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.056 -8.118 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.890 -7.135 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.234 -3.347 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.699 -4.395 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.014 -5.069 -4.168 1.00 0.00 H new ATOM 642 N ASN A 46 -3.444 -8.698 -1.296 1.00 0.00 N ATOM 643 CA ASN A 46 -3.488 -10.075 -0.817 1.00 0.00 C ATOM 644 C ASN A 46 -2.799 -11.016 -1.800 1.00 0.00 C ATOM 645 O ASN A 46 -3.105 -11.019 -2.993 1.00 0.00 O ATOM 646 CB ASN A 46 -4.938 -10.516 -0.603 1.00 0.00 C ATOM 647 CG ASN A 46 -5.871 -9.971 -1.667 1.00 0.00 C ATOM 648 OD1 ASN A 46 -6.160 -8.775 -1.702 1.00 0.00 O ATOM 649 ND2 ASN A 46 -6.348 -10.849 -2.541 1.00 0.00 N ATOM 0 H ASN A 46 -4.014 -8.521 -2.123 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.957 -10.120 0.134 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.988 -11.605 -0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.276 -10.182 0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.981 -10.541 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.082 -11.831 -2.474 1.00 0.00 H new ATOM 656 N LEU A 47 -1.868 -11.815 -1.291 1.00 0.00 N ATOM 657 CA LEU A 47 -1.134 -12.762 -2.123 1.00 0.00 C ATOM 658 C LEU A 47 -1.873 -14.094 -2.213 1.00 0.00 C ATOM 659 O LEU A 47 -2.192 -14.566 -3.304 1.00 0.00 O ATOM 660 CB LEU A 47 0.272 -12.983 -1.562 1.00 0.00 C ATOM 661 CG LEU A 47 1.345 -13.380 -2.576 1.00 0.00 C ATOM 662 CD1 LEU A 47 2.675 -13.620 -1.878 1.00 0.00 C ATOM 663 CD2 LEU A 47 0.915 -14.617 -3.351 1.00 0.00 C ATOM 0 H LEU A 47 -1.603 -11.826 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.056 -12.342 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.591 -12.067 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.219 -13.758 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 47 1.472 -12.560 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.427 -13.902 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.989 -12.708 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.564 -14.422 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.691 -14.885 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.759 -15.444 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.014 -14.409 -3.882 1.00 0.00 H new ATOM 675 N GLY A 48 -2.144 -14.694 -1.058 1.00 0.00 N ATOM 676 CA GLY A 48 -2.846 -15.965 -1.029 1.00 0.00 C ATOM 677 C GLY A 48 -2.313 -16.897 0.042 1.00 0.00 C ATOM 678 O GLY A 48 -2.944 -17.902 0.368 1.00 0.00 O ATOM 0 H GLY A 48 -1.890 -14.323 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.907 -15.787 -0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.758 -16.447 -2.003 1.00 0.00 H new ATOM 682 N SER A 49 -1.148 -16.563 0.588 1.00 0.00 N ATOM 683 CA SER A 49 -0.528 -17.381 1.623 1.00 0.00 C ATOM 684 C SER A 49 0.431 -16.549 2.471 1.00 0.00 C ATOM 685 O SER A 49 0.726 -15.399 2.148 1.00 0.00 O ATOM 686 CB SER A 49 0.220 -18.558 0.994 1.00 0.00 C ATOM 687 OG SER A 49 0.971 -18.141 -0.133 1.00 0.00 O ATOM 0 H SER A 49 -0.615 -15.732 0.331 1.00 0.00 H new ATOM 0 HA SER A 49 -1.318 -17.765 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.885 -19.007 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.492 -19.328 0.696 1.00 0.00 H new ATOM 0 HG SER A 49 1.441 -18.911 -0.516 1.00 0.00 H new ATOM 693 N THR A 50 0.915 -17.140 3.558 1.00 0.00 N ATOM 694 CA THR A 50 1.838 -16.456 4.454 1.00 0.00 C ATOM 695 C THR A 50 3.268 -16.528 3.930 1.00 0.00 C ATOM 696 O THR A 50 3.803 -17.614 3.707 1.00 0.00 O ATOM 697 CB THR A 50 1.793 -17.055 5.873 1.00 0.00 C ATOM 698 OG1 THR A 50 0.819 -18.102 5.932 1.00 0.00 O ATOM 699 CG2 THR A 50 1.459 -15.985 6.901 1.00 0.00 C ATOM 0 H THR A 50 0.683 -18.092 3.839 1.00 0.00 H new ATOM 0 HA THR A 50 1.521 -15.414 4.497 1.00 0.00 H new ATOM 0 HB THR A 50 2.777 -17.463 6.103 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.292 -18.012 6.753 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.433 -16.431 7.895 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.219 -15.204 6.874 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.485 -15.552 6.672 1.00 0.00 H new ATOM 707 N GLN A 51 3.881 -15.365 3.734 1.00 0.00 N ATOM 708 CA GLN A 51 5.250 -15.298 3.235 1.00 0.00 C ATOM 709 C GLN A 51 6.092 -14.351 4.083 1.00 0.00 C ATOM 710 O GLN A 51 5.583 -13.372 4.629 1.00 0.00 O ATOM 711 CB GLN A 51 5.260 -14.841 1.775 1.00 0.00 C ATOM 712 CG GLN A 51 5.623 -15.946 0.795 1.00 0.00 C ATOM 713 CD GLN A 51 6.992 -16.539 1.063 1.00 0.00 C ATOM 714 OE1 GLN A 51 7.110 -17.679 1.509 1.00 0.00 O ATOM 715 NE2 GLN A 51 8.036 -15.763 0.792 1.00 0.00 N ATOM 0 H GLN A 51 3.452 -14.457 3.913 1.00 0.00 H new ATOM 0 HA GLN A 51 5.684 -16.296 3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.276 -14.448 1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.969 -14.021 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.873 -16.735 0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.596 -15.549 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.891 -14.823 0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.983 -16.107 0.953 1.00 0.00 H new ATOM 724 N SER A 52 7.383 -14.649 4.189 1.00 0.00 N ATOM 725 CA SER A 52 8.296 -13.826 4.974 1.00 0.00 C ATOM 726 C SER A 52 8.720 -12.587 4.191 1.00 0.00 C ATOM 727 O SER A 52 9.068 -12.673 3.013 1.00 0.00 O ATOM 728 CB SER A 52 9.530 -14.636 5.375 1.00 0.00 C ATOM 729 OG SER A 52 10.139 -14.097 6.535 1.00 0.00 O ATOM 0 H SER A 52 7.820 -15.454 3.741 1.00 0.00 H new ATOM 0 HA SER A 52 7.773 -13.504 5.875 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.245 -15.672 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.247 -14.643 4.554 1.00 0.00 H new ATOM 0 HG SER A 52 10.679 -14.788 6.972 1.00 0.00 H new ATOM 735 N ILE A 53 8.686 -11.436 4.853 1.00 0.00 N ATOM 736 CA ILE A 53 9.068 -10.180 4.221 1.00 0.00 C ATOM 737 C ILE A 53 10.253 -9.542 4.938 1.00 0.00 C ATOM 738 O ILE A 53 10.420 -9.700 6.146 1.00 0.00 O ATOM 739 CB ILE A 53 7.896 -9.180 4.202 1.00 0.00 C ATOM 740 CG1 ILE A 53 7.101 -9.268 5.507 1.00 0.00 C ATOM 741 CG2 ILE A 53 6.993 -9.445 3.007 1.00 0.00 C ATOM 742 CD1 ILE A 53 6.221 -8.065 5.761 1.00 0.00 C ATOM 0 H ILE A 53 8.398 -11.347 5.827 1.00 0.00 H new ATOM 0 HA ILE A 53 9.351 -10.416 3.195 1.00 0.00 H new ATOM 0 HB ILE A 53 8.300 -8.172 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.480 -10.164 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.796 -9.382 6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.170 -8.731 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.567 -9.337 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.595 -10.458 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.688 -8.197 6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.838 -7.168 5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.502 -7.962 4.948 1.00 0.00 H new ATOM 754 N SER A 54 11.074 -8.818 4.182 1.00 0.00 N ATOM 755 CA SER A 54 12.246 -8.157 4.744 1.00 0.00 C ATOM 756 C SER A 54 12.045 -6.645 4.794 1.00 0.00 C ATOM 757 O SER A 54 12.002 -6.049 5.872 1.00 0.00 O ATOM 758 CB SER A 54 13.491 -8.489 3.918 1.00 0.00 C ATOM 759 OG SER A 54 13.239 -8.338 2.533 1.00 0.00 O ATOM 0 H SER A 54 10.949 -8.675 3.180 1.00 0.00 H new ATOM 0 HA SER A 54 12.385 -8.522 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.312 -7.837 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.806 -9.512 4.124 1.00 0.00 H new ATOM 0 HG SER A 54 14.050 -8.554 2.027 1.00 0.00 H new ATOM 765 N ARG A 55 11.924 -6.031 3.623 1.00 0.00 N ATOM 766 CA ARG A 55 11.730 -4.589 3.532 1.00 0.00 C ATOM 767 C ARG A 55 10.741 -4.243 2.422 1.00 0.00 C ATOM 768 O ARG A 55 10.814 -4.786 1.319 1.00 0.00 O ATOM 769 CB ARG A 55 13.065 -3.888 3.278 1.00 0.00 C ATOM 770 CG ARG A 55 13.924 -4.574 2.229 1.00 0.00 C ATOM 771 CD ARG A 55 15.148 -5.226 2.851 1.00 0.00 C ATOM 772 NE ARG A 55 16.316 -5.143 1.979 1.00 0.00 N ATOM 773 CZ ARG A 55 17.458 -5.778 2.217 1.00 0.00 C ATOM 774 NH1 ARG A 55 17.586 -6.537 3.296 1.00 0.00 N ATOM 775 NH2 ARG A 55 18.477 -5.652 1.376 1.00 0.00 N ATOM 0 H ARG A 55 11.957 -6.510 2.723 1.00 0.00 H new ATOM 0 HA ARG A 55 11.321 -4.242 4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.873 -2.862 2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.622 -3.836 4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.333 -5.328 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.239 -3.846 1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.371 -4.744 3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.931 -6.272 3.067 1.00 0.00 H new ATOM 0 HE ARG A 55 16.251 -4.565 1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.806 -6.635 3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.464 -7.023 3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 55 18.384 -5.067 0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 55 19.353 -6.140 1.560 1.00 0.00 H new ATOM 789 N VAL A 56 9.817 -3.335 2.721 1.00 0.00 N ATOM 790 CA VAL A 56 8.814 -2.916 1.748 1.00 0.00 C ATOM 791 C VAL A 56 8.928 -1.425 1.450 1.00 0.00 C ATOM 792 O VAL A 56 8.987 -0.601 2.363 1.00 0.00 O ATOM 793 CB VAL A 56 7.389 -3.223 2.244 1.00 0.00 C ATOM 794 CG1 VAL A 56 7.235 -2.829 3.705 1.00 0.00 C ATOM 795 CG2 VAL A 56 6.360 -2.509 1.381 1.00 0.00 C ATOM 0 H VAL A 56 9.742 -2.876 3.629 1.00 0.00 H new ATOM 0 HA VAL A 56 9.002 -3.481 0.835 1.00 0.00 H new ATOM 0 HB VAL A 56 7.218 -4.296 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.222 -3.053 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.948 -3.389 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.425 -1.761 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.358 -2.737 1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.528 -1.433 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.455 -2.845 0.348 1.00 0.00 H new ATOM 805 N LYS A 57 8.958 -1.085 0.166 1.00 0.00 N ATOM 806 CA LYS A 57 9.062 0.307 -0.254 1.00 0.00 C ATOM 807 C LYS A 57 7.875 0.703 -1.127 1.00 0.00 C ATOM 808 O LYS A 57 7.481 -0.037 -2.029 1.00 0.00 O ATOM 809 CB LYS A 57 10.369 0.534 -1.018 1.00 0.00 C ATOM 810 CG LYS A 57 10.513 1.942 -1.570 1.00 0.00 C ATOM 811 CD LYS A 57 10.514 1.949 -3.089 1.00 0.00 C ATOM 812 CE LYS A 57 11.925 2.058 -3.645 1.00 0.00 C ATOM 813 NZ LYS A 57 11.968 1.779 -5.108 1.00 0.00 N ATOM 0 H LYS A 57 8.912 -1.755 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 57 9.057 0.931 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.209 0.325 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.427 -0.178 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.696 2.563 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.439 2.385 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.046 1.037 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.914 2.784 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.314 3.058 -3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.576 1.358 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.947 1.863 -5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.621 0.815 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.367 2.463 -5.610 1.00 0.00 H new ATOM 827 N LEU A 58 7.310 1.874 -0.854 1.00 0.00 N ATOM 828 CA LEU A 58 6.169 2.368 -1.617 1.00 0.00 C ATOM 829 C LEU A 58 6.318 3.856 -1.918 1.00 0.00 C ATOM 830 O LEU A 58 6.967 4.588 -1.172 1.00 0.00 O ATOM 831 CB LEU A 58 4.870 2.120 -0.847 1.00 0.00 C ATOM 832 CG LEU A 58 4.582 3.078 0.309 1.00 0.00 C ATOM 833 CD1 LEU A 58 5.784 3.175 1.235 1.00 0.00 C ATOM 834 CD2 LEU A 58 4.202 4.453 -0.220 1.00 0.00 C ATOM 0 H LEU A 58 7.623 2.499 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 58 6.134 1.827 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.039 2.171 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.893 1.104 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 58 3.741 2.685 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.560 3.861 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.011 2.189 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.644 3.544 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.000 5.122 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.023 4.853 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.310 4.370 -0.841 1.00 0.00 H new ATOM 846 N ASN A 59 5.712 4.296 -3.015 1.00 0.00 N ATOM 847 CA ASN A 59 5.775 5.698 -3.414 1.00 0.00 C ATOM 848 C ASN A 59 4.464 6.413 -3.103 1.00 0.00 C ATOM 849 O ASN A 59 3.398 5.798 -3.095 1.00 0.00 O ATOM 850 CB ASN A 59 6.090 5.811 -4.907 1.00 0.00 C ATOM 851 CG ASN A 59 5.632 7.131 -5.496 1.00 0.00 C ATOM 852 OD1 ASN A 59 6.392 8.098 -5.545 1.00 0.00 O ATOM 853 ND2 ASN A 59 4.383 7.176 -5.946 1.00 0.00 N ATOM 0 H ASN A 59 5.171 3.702 -3.644 1.00 0.00 H new ATOM 0 HA ASN A 59 6.572 6.176 -2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.164 5.702 -5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.608 4.992 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.018 8.037 -6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.789 6.349 -5.885 1.00 0.00 H new ATOM 860 N TRP A 60 4.551 7.713 -2.851 1.00 0.00 N ATOM 861 CA TRP A 60 3.371 8.512 -2.540 1.00 0.00 C ATOM 862 C TRP A 60 3.169 9.610 -3.578 1.00 0.00 C ATOM 863 O TRP A 60 2.155 10.308 -3.566 1.00 0.00 O ATOM 864 CB TRP A 60 3.499 9.129 -1.146 1.00 0.00 C ATOM 865 CG TRP A 60 2.337 9.999 -0.772 1.00 0.00 C ATOM 866 CD1 TRP A 60 2.269 11.359 -0.867 1.00 0.00 C ATOM 867 CD2 TRP A 60 1.079 9.568 -0.243 1.00 0.00 C ATOM 868 NE1 TRP A 60 1.044 11.801 -0.428 1.00 0.00 N ATOM 869 CE2 TRP A 60 0.295 10.721 -0.041 1.00 0.00 C ATOM 870 CE3 TRP A 60 0.537 8.321 0.078 1.00 0.00 C ATOM 871 CZ2 TRP A 60 -1.000 10.661 0.469 1.00 0.00 C ATOM 872 CZ3 TRP A 60 -0.747 8.263 0.584 1.00 0.00 C ATOM 873 CH2 TRP A 60 -1.505 9.427 0.774 1.00 0.00 C ATOM 0 H TRP A 60 5.426 8.237 -2.856 1.00 0.00 H new ATOM 0 HA TRP A 60 2.502 7.854 -2.560 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.597 8.330 -0.411 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.415 9.719 -1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 60 3.062 11.995 -1.233 1.00 0.00 H new ATOM 0 HE1 TRP A 60 0.742 12.775 -0.396 1.00 0.00 H new ATOM 0 HE3 TRP A 60 1.112 7.418 -0.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.584 11.557 0.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.174 7.304 0.838 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.507 9.348 1.169 1.00 0.00 H new ATOM 884 N GLU A 61 4.139 9.757 -4.475 1.00 0.00 N ATOM 885 CA GLU A 61 4.065 10.772 -5.520 1.00 0.00 C ATOM 886 C GLU A 61 4.335 12.161 -4.949 1.00 0.00 C ATOM 887 O GLU A 61 4.788 12.299 -3.811 1.00 0.00 O ATOM 888 CB GLU A 61 2.692 10.743 -6.194 1.00 0.00 C ATOM 889 CG GLU A 61 2.759 10.663 -7.709 1.00 0.00 C ATOM 890 CD GLU A 61 1.686 11.493 -8.386 1.00 0.00 C ATOM 891 OE1 GLU A 61 0.677 11.813 -7.724 1.00 0.00 O ATOM 892 OE2 GLU A 61 1.856 11.824 -9.579 1.00 0.00 O ATOM 0 H GLU A 61 4.984 9.187 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 61 4.831 10.549 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.130 9.888 -5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.138 11.638 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.740 11.001 -8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.658 9.623 -8.019 1.00 0.00 H new ATOM 899 N ASP A 62 4.053 13.186 -5.745 1.00 0.00 N ATOM 900 CA ASP A 62 4.264 14.565 -5.320 1.00 0.00 C ATOM 901 C ASP A 62 3.250 14.966 -4.254 1.00 0.00 C ATOM 902 O ASP A 62 3.439 15.952 -3.542 1.00 0.00 O ATOM 903 CB ASP A 62 4.166 15.511 -6.518 1.00 0.00 C ATOM 904 CG ASP A 62 5.170 16.645 -6.444 1.00 0.00 C ATOM 905 OD1 ASP A 62 6.362 16.366 -6.200 1.00 0.00 O ATOM 906 OD2 ASP A 62 4.764 17.811 -6.630 1.00 0.00 O ATOM 0 H ASP A 62 3.678 13.088 -6.688 1.00 0.00 H new ATOM 0 HA ASP A 62 5.263 14.638 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.327 14.947 -7.437 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.159 15.924 -6.570 1.00 0.00 H new ATOM 911 N ALA A 63 2.171 14.197 -4.151 1.00 0.00 N ATOM 912 CA ALA A 63 1.127 14.472 -3.172 1.00 0.00 C ATOM 913 C ALA A 63 1.726 14.818 -1.813 1.00 0.00 C ATOM 914 O ALA A 63 2.708 14.213 -1.385 1.00 0.00 O ATOM 915 CB ALA A 63 0.191 13.278 -3.049 1.00 0.00 C ATOM 0 H ALA A 63 1.997 13.378 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 63 0.556 15.334 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.584 13.497 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.272 13.077 -4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.757 12.403 -2.729 1.00 0.00 H new ATOM 921 N TYR A 64 1.128 15.796 -1.141 1.00 0.00 N ATOM 922 CA TYR A 64 1.605 16.225 0.168 1.00 0.00 C ATOM 923 C TYR A 64 1.199 15.229 1.249 1.00 0.00 C ATOM 924 O TYR A 64 0.013 14.981 1.468 1.00 0.00 O ATOM 925 CB TYR A 64 1.056 17.613 0.505 1.00 0.00 C ATOM 926 CG TYR A 64 1.472 18.114 1.869 1.00 0.00 C ATOM 927 CD1 TYR A 64 2.755 18.603 2.089 1.00 0.00 C ATOM 928 CD2 TYR A 64 0.584 18.099 2.937 1.00 0.00 C ATOM 929 CE1 TYR A 64 3.139 19.062 3.334 1.00 0.00 C ATOM 930 CE2 TYR A 64 0.960 18.558 4.185 1.00 0.00 C ATOM 931 CZ TYR A 64 2.239 19.038 4.378 1.00 0.00 C ATOM 932 OH TYR A 64 2.618 19.493 5.620 1.00 0.00 O ATOM 0 H TYR A 64 0.313 16.306 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 64 2.693 16.271 0.132 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.394 18.321 -0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.032 17.586 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.463 18.624 1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.417 17.722 2.790 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.140 19.438 3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.257 18.541 5.005 1.00 0.00 H new ATOM 0 HH TYR A 64 1.866 19.408 6.243 1.00 0.00 H new ATOM 942 N ALA A 65 2.193 14.661 1.925 1.00 0.00 N ATOM 943 CA ALA A 65 1.940 13.693 2.986 1.00 0.00 C ATOM 944 C ALA A 65 3.000 13.787 4.078 1.00 0.00 C ATOM 945 O ALA A 65 4.193 13.905 3.792 1.00 0.00 O ATOM 946 CB ALA A 65 1.890 12.284 2.415 1.00 0.00 C ATOM 0 H ALA A 65 3.180 14.854 1.757 1.00 0.00 H new ATOM 0 HA ALA A 65 0.973 13.925 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.700 11.572 3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.091 12.219 1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.843 12.050 1.940 1.00 0.00 H new ATOM 952 N THR A 66 2.560 13.735 5.331 1.00 0.00 N ATOM 953 CA THR A 66 3.471 13.814 6.466 1.00 0.00 C ATOM 954 C THR A 66 4.176 12.484 6.700 1.00 0.00 C ATOM 955 O THR A 66 5.343 12.450 7.090 1.00 0.00 O ATOM 956 CB THR A 66 2.729 14.224 7.752 1.00 0.00 C ATOM 957 OG1 THR A 66 1.339 13.902 7.641 1.00 0.00 O ATOM 958 CG2 THR A 66 2.892 15.712 8.020 1.00 0.00 C ATOM 0 H THR A 66 1.577 13.638 5.586 1.00 0.00 H new ATOM 0 HA THR A 66 4.213 14.575 6.224 1.00 0.00 H new ATOM 0 HB THR A 66 3.162 13.672 8.586 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.828 14.430 8.290 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.359 15.978 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.950 15.947 8.136 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.484 16.279 7.184 1.00 0.00 H new ATOM 966 N ALA A 67 3.461 11.390 6.458 1.00 0.00 N ATOM 967 CA ALA A 67 4.020 10.056 6.641 1.00 0.00 C ATOM 968 C ALA A 67 3.018 8.981 6.236 1.00 0.00 C ATOM 969 O ALA A 67 1.849 9.272 5.982 1.00 0.00 O ATOM 970 CB ALA A 67 4.454 9.859 8.086 1.00 0.00 C ATOM 0 H ALA A 67 2.494 11.401 6.135 1.00 0.00 H new ATOM 0 HA ALA A 67 4.893 9.963 5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.869 8.859 8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.211 10.600 8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.593 9.977 8.744 1.00 0.00 H new ATOM 976 N TYR A 68 3.483 7.738 6.176 1.00 0.00 N ATOM 977 CA TYR A 68 2.628 6.619 5.799 1.00 0.00 C ATOM 978 C TYR A 68 2.701 5.503 6.836 1.00 0.00 C ATOM 979 O TYR A 68 3.525 5.542 7.750 1.00 0.00 O ATOM 980 CB TYR A 68 3.032 6.082 4.425 1.00 0.00 C ATOM 981 CG TYR A 68 3.611 7.136 3.509 1.00 0.00 C ATOM 982 CD1 TYR A 68 2.818 8.162 3.009 1.00 0.00 C ATOM 983 CD2 TYR A 68 4.951 7.107 3.143 1.00 0.00 C ATOM 984 CE1 TYR A 68 3.342 9.127 2.172 1.00 0.00 C ATOM 985 CE2 TYR A 68 5.484 8.068 2.307 1.00 0.00 C ATOM 986 CZ TYR A 68 4.676 9.076 1.823 1.00 0.00 C ATOM 987 OH TYR A 68 5.203 10.035 0.990 1.00 0.00 O ATOM 0 H TYR A 68 4.448 7.480 6.384 1.00 0.00 H new ATOM 0 HA TYR A 68 1.600 6.980 5.753 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.764 5.285 4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.159 5.637 3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.773 8.205 3.280 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.587 6.319 3.519 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.711 9.917 1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.528 8.031 2.033 1.00 0.00 H new ATOM 0 HH TYR A 68 6.138 9.819 0.793 1.00 0.00 H new ATOM 997 N SER A 69 1.835 4.506 6.686 1.00 0.00 N ATOM 998 CA SER A 69 1.798 3.380 7.610 1.00 0.00 C ATOM 999 C SER A 69 1.706 2.058 6.853 1.00 0.00 C ATOM 1000 O SER A 69 0.928 1.925 5.908 1.00 0.00 O ATOM 1001 CB SER A 69 0.612 3.515 8.566 1.00 0.00 C ATOM 1002 OG SER A 69 0.940 4.339 9.672 1.00 0.00 O ATOM 0 H SER A 69 1.149 4.456 5.933 1.00 0.00 H new ATOM 0 HA SER A 69 2.723 3.386 8.186 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.241 3.937 8.035 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.312 2.529 8.920 1.00 0.00 H new ATOM 0 HG SER A 69 1.607 5.003 9.399 1.00 0.00 H new ATOM 1008 N ILE A 70 2.506 1.085 7.274 1.00 0.00 N ATOM 1009 CA ILE A 70 2.515 -0.227 6.636 1.00 0.00 C ATOM 1010 C ILE A 70 2.218 -1.330 7.646 1.00 0.00 C ATOM 1011 O ILE A 70 2.841 -1.399 8.706 1.00 0.00 O ATOM 1012 CB ILE A 70 3.868 -0.515 5.960 1.00 0.00 C ATOM 1013 CG1 ILE A 70 3.728 -0.446 4.439 1.00 0.00 C ATOM 1014 CG2 ILE A 70 4.394 -1.876 6.387 1.00 0.00 C ATOM 1015 CD1 ILE A 70 5.043 -0.241 3.719 1.00 0.00 C ATOM 0 H ILE A 70 3.157 1.179 8.054 1.00 0.00 H new ATOM 0 HA ILE A 70 1.734 -0.214 5.875 1.00 0.00 H new ATOM 0 HB ILE A 70 4.583 0.245 6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.268 -1.368 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.051 0.369 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.351 -2.065 5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.527 -1.892 7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.681 -2.649 6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.867 -0.202 2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.495 0.695 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.715 -1.068 3.947 1.00 0.00 H new ATOM 1027 N GLN A 71 1.265 -2.193 7.309 1.00 0.00 N ATOM 1028 CA GLN A 71 0.887 -3.294 8.186 1.00 0.00 C ATOM 1029 C GLN A 71 0.433 -4.504 7.375 1.00 0.00 C ATOM 1030 O GLN A 71 0.492 -4.498 6.146 1.00 0.00 O ATOM 1031 CB GLN A 71 -0.226 -2.857 9.139 1.00 0.00 C ATOM 1032 CG GLN A 71 -1.320 -2.044 8.464 1.00 0.00 C ATOM 1033 CD GLN A 71 -1.475 -0.661 9.067 1.00 0.00 C ATOM 1034 OE1 GLN A 71 -2.591 -0.200 9.311 1.00 0.00 O ATOM 1035 NE2 GLN A 71 -0.355 0.008 9.312 1.00 0.00 N ATOM 0 H GLN A 71 0.741 -2.151 6.435 1.00 0.00 H new ATOM 0 HA GLN A 71 1.763 -3.578 8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.671 -3.742 9.595 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.209 -2.267 9.946 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.095 -1.950 7.402 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.266 -2.579 8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.548 -0.413 9.094 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.398 0.943 9.718 1.00 0.00 H new ATOM 1044 N VAL A 72 -0.021 -5.541 8.072 1.00 0.00 N ATOM 1045 CA VAL A 72 -0.487 -6.757 7.418 1.00 0.00 C ATOM 1046 C VAL A 72 -1.617 -7.408 8.207 1.00 0.00 C ATOM 1047 O VAL A 72 -2.197 -6.793 9.101 1.00 0.00 O ATOM 1048 CB VAL A 72 0.658 -7.775 7.245 1.00 0.00 C ATOM 1049 CG1 VAL A 72 1.809 -7.157 6.469 1.00 0.00 C ATOM 1050 CG2 VAL A 72 1.128 -8.280 8.601 1.00 0.00 C ATOM 0 H VAL A 72 -0.076 -5.563 9.090 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.857 -6.466 6.435 1.00 0.00 H new ATOM 0 HB VAL A 72 0.283 -8.625 6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.608 -7.890 6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.459 -6.848 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.187 -6.289 7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.936 -8.998 8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.486 -7.441 9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.298 -8.764 9.117 1.00 0.00 H new ATOM 1060 N SER A 73 -1.924 -8.657 7.870 1.00 0.00 N ATOM 1061 CA SER A 73 -2.988 -9.391 8.544 1.00 0.00 C ATOM 1062 C SER A 73 -2.509 -10.778 8.964 1.00 0.00 C ATOM 1063 O SER A 73 -2.167 -11.609 8.123 1.00 0.00 O ATOM 1064 CB SER A 73 -4.210 -9.515 7.631 1.00 0.00 C ATOM 1065 OG SER A 73 -4.406 -10.858 7.224 1.00 0.00 O ATOM 0 H SER A 73 -1.451 -9.181 7.134 1.00 0.00 H new ATOM 0 HA SER A 73 -3.268 -8.836 9.439 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.097 -9.157 8.154 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.079 -8.881 6.754 1.00 0.00 H new ATOM 0 HG SER A 73 -5.193 -10.912 6.643 1.00 0.00 H new ATOM 1071 N ASN A 74 -2.488 -11.020 10.271 1.00 0.00 N ATOM 1072 CA ASN A 74 -2.052 -12.305 10.803 1.00 0.00 C ATOM 1073 C ASN A 74 -2.047 -12.288 12.328 1.00 0.00 C ATOM 1074 O ASN A 74 -2.033 -11.224 12.948 1.00 0.00 O ATOM 1075 CB ASN A 74 -0.654 -12.648 10.282 1.00 0.00 C ATOM 1076 CG ASN A 74 0.152 -11.412 9.934 1.00 0.00 C ATOM 1077 OD1 ASN A 74 0.644 -11.273 8.813 1.00 0.00 O ATOM 1078 ND2 ASN A 74 0.292 -10.506 10.894 1.00 0.00 N ATOM 0 H ASN A 74 -2.768 -10.343 10.981 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.755 -13.067 10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.120 -13.226 11.036 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.743 -13.281 9.399 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.824 -9.654 10.717 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.133 -10.662 11.808 1.00 0.00 H new ATOM 1085 N ASP A 75 -2.061 -13.474 12.927 1.00 0.00 N ATOM 1086 CA ASP A 75 -2.058 -13.597 14.380 1.00 0.00 C ATOM 1087 C ASP A 75 -1.671 -15.010 14.805 1.00 0.00 C ATOM 1088 O ASP A 75 -0.892 -15.196 15.741 1.00 0.00 O ATOM 1089 CB ASP A 75 -3.433 -13.241 14.947 1.00 0.00 C ATOM 1090 CG ASP A 75 -3.363 -12.777 16.389 1.00 0.00 C ATOM 1091 OD1 ASP A 75 -2.242 -12.527 16.877 1.00 0.00 O ATOM 1092 OD2 ASP A 75 -4.430 -12.667 17.029 1.00 0.00 O ATOM 0 H ASP A 75 -2.075 -14.364 12.429 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.319 -12.901 14.776 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.882 -12.457 14.338 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.087 -14.111 14.880 1.00 0.00 H new ATOM 1097 N SER A 76 -2.219 -16.003 14.112 1.00 0.00 N ATOM 1098 CA SER A 76 -1.934 -17.400 14.420 1.00 0.00 C ATOM 1099 C SER A 76 -1.069 -18.031 13.333 1.00 0.00 C ATOM 1100 O SER A 76 -0.383 -19.024 13.570 1.00 0.00 O ATOM 1101 CB SER A 76 -3.238 -18.186 14.571 1.00 0.00 C ATOM 1102 OG SER A 76 -4.363 -17.327 14.501 1.00 0.00 O ATOM 0 H SER A 76 -2.863 -15.866 13.333 1.00 0.00 H new ATOM 0 HA SER A 76 -1.385 -17.435 15.361 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.304 -18.941 13.788 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.239 -18.715 15.524 1.00 0.00 H new ATOM 0 HG SER A 76 -4.541 -17.097 13.565 1.00 0.00 H new ATOM 1108 N GLY A 77 -1.108 -17.445 12.140 1.00 0.00 N ATOM 1109 CA GLY A 77 -0.323 -17.962 11.034 1.00 0.00 C ATOM 1110 C GLY A 77 -1.189 -18.428 9.879 1.00 0.00 C ATOM 1111 O GLY A 77 -1.004 -17.993 8.742 1.00 0.00 O ATOM 0 H GLY A 77 -1.669 -16.622 11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.360 -17.188 10.684 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.290 -18.793 11.384 1.00 0.00 H new ATOM 1115 N SER A 78 -2.133 -19.316 10.169 1.00 0.00 N ATOM 1116 CA SER A 78 -3.025 -19.846 9.145 1.00 0.00 C ATOM 1117 C SER A 78 -4.365 -19.114 9.160 1.00 0.00 C ATOM 1118 O SER A 78 -5.041 -19.010 8.137 1.00 0.00 O ATOM 1119 CB SER A 78 -3.248 -21.344 9.357 1.00 0.00 C ATOM 1120 OG SER A 78 -3.297 -22.032 8.119 1.00 0.00 O ATOM 0 H SER A 78 -2.300 -19.684 11.105 1.00 0.00 H new ATOM 0 HA SER A 78 -2.555 -19.690 8.174 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.445 -21.751 9.971 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.178 -21.503 9.902 1.00 0.00 H new ATOM 0 HG SER A 78 -3.439 -22.988 8.281 1.00 0.00 H new ATOM 1126 N THR A 79 -4.743 -18.609 10.330 1.00 0.00 N ATOM 1127 CA THR A 79 -6.001 -17.889 10.481 1.00 0.00 C ATOM 1128 C THR A 79 -5.757 -16.425 10.828 1.00 0.00 C ATOM 1129 O THR A 79 -5.932 -15.994 11.969 1.00 0.00 O ATOM 1130 CB THR A 79 -6.884 -18.523 11.572 1.00 0.00 C ATOM 1131 OG1 THR A 79 -6.819 -19.951 11.486 1.00 0.00 O ATOM 1132 CG2 THR A 79 -8.328 -18.067 11.432 1.00 0.00 C ATOM 0 H THR A 79 -4.195 -18.686 11.187 1.00 0.00 H new ATOM 0 HA THR A 79 -6.518 -17.952 9.524 1.00 0.00 H new ATOM 0 HB THR A 79 -6.510 -18.200 12.544 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.382 -20.347 12.184 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.932 -18.528 12.213 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.378 -16.982 11.527 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.710 -18.364 10.455 1.00 0.00 H new ATOM 1140 N PRO A 80 -5.344 -15.638 9.823 1.00 0.00 N ATOM 1141 CA PRO A 80 -5.070 -14.209 9.999 1.00 0.00 C ATOM 1142 C PRO A 80 -6.339 -13.400 10.240 1.00 0.00 C ATOM 1143 O PRO A 80 -7.440 -13.835 9.900 1.00 0.00 O ATOM 1144 CB PRO A 80 -4.424 -13.807 8.670 1.00 0.00 C ATOM 1145 CG PRO A 80 -4.941 -14.795 7.683 1.00 0.00 C ATOM 1146 CD PRO A 80 -5.115 -16.084 8.439 1.00 0.00 C ATOM 0 HA PRO A 80 -4.443 -14.018 10.870 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.695 -12.789 8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.336 -13.842 8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.887 -14.462 7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.244 -14.920 6.854 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.957 -16.663 8.059 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.232 -16.718 8.362 1.00 0.00 H new ATOM 1154 N THR A 81 -6.180 -12.219 10.830 1.00 0.00 N ATOM 1155 CA THR A 81 -7.313 -11.350 11.118 1.00 0.00 C ATOM 1156 C THR A 81 -6.887 -9.887 11.163 1.00 0.00 C ATOM 1157 O THR A 81 -7.117 -9.135 10.217 1.00 0.00 O ATOM 1158 CB THR A 81 -7.979 -11.718 12.457 1.00 0.00 C ATOM 1159 OG1 THR A 81 -6.988 -11.821 13.486 1.00 0.00 O ATOM 1160 CG2 THR A 81 -8.734 -13.034 12.342 1.00 0.00 C ATOM 0 H THR A 81 -5.277 -11.843 11.118 1.00 0.00 H new ATOM 0 HA THR A 81 -8.032 -11.493 10.311 1.00 0.00 H new ATOM 0 HB THR A 81 -8.688 -10.930 12.713 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.420 -12.054 14.334 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.196 -13.273 13.300 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.507 -12.945 11.579 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.041 -13.828 12.065 1.00 0.00 H new ATOM 1168 N ASN A 82 -6.263 -9.490 12.266 1.00 0.00 N ATOM 1169 CA ASN A 82 -5.804 -8.116 12.434 1.00 0.00 C ATOM 1170 C ASN A 82 -4.285 -8.062 12.568 1.00 0.00 C ATOM 1171 O ASN A 82 -3.597 -9.059 12.345 1.00 0.00 O ATOM 1172 CB ASN A 82 -6.459 -7.483 13.662 1.00 0.00 C ATOM 1173 CG ASN A 82 -7.214 -6.212 13.325 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -7.951 -6.157 12.339 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -7.035 -5.182 14.143 1.00 0.00 N ATOM 0 H ASN A 82 -6.063 -10.101 13.058 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.093 -7.552 11.547 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.144 -8.200 14.115 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.693 -7.261 14.405 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.517 -4.301 13.966 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.415 -5.272 14.948 1.00 0.00 H new ATOM 1182 N TRP A 83 -3.770 -6.895 12.935 1.00 0.00 N ATOM 1183 CA TRP A 83 -2.332 -6.711 13.100 1.00 0.00 C ATOM 1184 C TRP A 83 -2.014 -5.298 13.574 1.00 0.00 C ATOM 1185 O TRP A 83 -2.892 -4.434 13.618 1.00 0.00 O ATOM 1186 CB TRP A 83 -1.607 -6.996 11.784 1.00 0.00 C ATOM 1187 CG TRP A 83 -0.157 -7.332 11.966 1.00 0.00 C ATOM 1188 CD1 TRP A 83 0.902 -6.776 11.308 1.00 0.00 C ATOM 1189 CD2 TRP A 83 0.391 -8.303 12.865 1.00 0.00 C ATOM 1190 NE1 TRP A 83 2.076 -7.343 11.742 1.00 0.00 N ATOM 1191 CE2 TRP A 83 1.790 -8.281 12.697 1.00 0.00 C ATOM 1192 CE3 TRP A 83 -0.163 -9.186 13.794 1.00 0.00 C ATOM 1193 CZ2 TRP A 83 2.639 -9.111 13.426 1.00 0.00 C ATOM 1194 CZ3 TRP A 83 0.681 -10.009 14.517 1.00 0.00 C ATOM 1195 CH2 TRP A 83 2.069 -9.965 14.330 1.00 0.00 C ATOM 0 H TRP A 83 -4.326 -6.061 13.124 1.00 0.00 H new ATOM 0 HA TRP A 83 -1.986 -7.414 13.858 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.103 -7.823 11.276 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.692 -6.125 11.134 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.828 -6.004 10.557 1.00 0.00 H new ATOM 0 HE1 TRP A 83 3.009 -7.104 11.407 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.232 -9.226 13.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 3.709 -9.081 13.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.264 -10.697 15.237 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.702 -10.619 14.912 1.00 0.00 H new ATOM 1206 N THR A 84 -0.754 -5.065 13.928 1.00 0.00 N ATOM 1207 CA THR A 84 -0.322 -3.757 14.400 1.00 0.00 C ATOM 1208 C THR A 84 0.577 -3.072 13.376 1.00 0.00 C ATOM 1209 O THR A 84 1.361 -3.725 12.687 1.00 0.00 O ATOM 1210 CB THR A 84 0.434 -3.863 15.738 1.00 0.00 C ATOM 1211 OG1 THR A 84 0.698 -2.555 16.257 1.00 0.00 O ATOM 1212 CG2 THR A 84 1.743 -4.618 15.562 1.00 0.00 C ATOM 0 H THR A 84 -0.015 -5.767 13.896 1.00 0.00 H new ATOM 0 HA THR A 84 -1.223 -3.161 14.546 1.00 0.00 H new ATOM 0 HB THR A 84 -0.192 -4.412 16.441 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.177 -2.631 17.108 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.259 -4.680 16.520 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.537 -5.623 15.195 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.373 -4.092 14.844 1.00 0.00 H new ATOM 1220 N THR A 85 0.458 -1.751 13.281 1.00 0.00 N ATOM 1221 CA THR A 85 1.258 -0.978 12.340 1.00 0.00 C ATOM 1222 C THR A 85 2.739 -1.317 12.470 1.00 0.00 C ATOM 1223 O THR A 85 3.186 -1.802 13.510 1.00 0.00 O ATOM 1224 CB THR A 85 1.069 0.536 12.552 1.00 0.00 C ATOM 1225 OG1 THR A 85 1.520 0.907 13.860 1.00 0.00 O ATOM 1226 CG2 THR A 85 -0.392 0.927 12.385 1.00 0.00 C ATOM 0 H THR A 85 -0.185 -1.195 13.845 1.00 0.00 H new ATOM 0 HA THR A 85 0.913 -1.243 11.340 1.00 0.00 H new ATOM 0 HB THR A 85 1.658 1.062 11.801 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.398 1.871 13.987 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.501 2.000 12.539 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.725 0.669 11.380 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.998 0.392 13.116 1.00 0.00 H new ATOM 1234 N VAL A 86 3.496 -1.057 11.409 1.00 0.00 N ATOM 1235 CA VAL A 86 4.928 -1.332 11.406 1.00 0.00 C ATOM 1236 C VAL A 86 5.734 -0.052 11.223 1.00 0.00 C ATOM 1237 O VAL A 86 6.940 -0.024 11.467 1.00 0.00 O ATOM 1238 CB VAL A 86 5.305 -2.327 10.291 1.00 0.00 C ATOM 1239 CG1 VAL A 86 6.732 -2.819 10.476 1.00 0.00 C ATOM 1240 CG2 VAL A 86 4.329 -3.493 10.265 1.00 0.00 C ATOM 0 H VAL A 86 3.142 -0.656 10.541 1.00 0.00 H new ATOM 0 HA VAL A 86 5.168 -1.773 12.374 1.00 0.00 H new ATOM 0 HB VAL A 86 5.245 -1.812 9.332 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.981 -3.521 9.680 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.417 -1.972 10.440 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.823 -3.318 11.441 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.610 -4.185 9.472 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.354 -4.010 11.224 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.322 -3.120 10.081 1.00 0.00 H new ATOM 1250 N TYR A 87 5.059 1.009 10.793 1.00 0.00 N ATOM 1251 CA TYR A 87 5.712 2.294 10.575 1.00 0.00 C ATOM 1252 C TYR A 87 4.716 3.441 10.707 1.00 0.00 C ATOM 1253 O TYR A 87 3.566 3.332 10.282 1.00 0.00 O ATOM 1254 CB TYR A 87 6.367 2.330 9.193 1.00 0.00 C ATOM 1255 CG TYR A 87 7.762 2.913 9.199 1.00 0.00 C ATOM 1256 CD1 TYR A 87 8.801 2.275 9.865 1.00 0.00 C ATOM 1257 CD2 TYR A 87 8.042 4.103 8.539 1.00 0.00 C ATOM 1258 CE1 TYR A 87 10.077 2.804 9.874 1.00 0.00 C ATOM 1259 CE2 TYR A 87 9.315 4.640 8.541 1.00 0.00 C ATOM 1260 CZ TYR A 87 10.328 3.987 9.209 1.00 0.00 C ATOM 1261 OH TYR A 87 11.598 4.519 9.216 1.00 0.00 O ATOM 0 H TYR A 87 4.060 1.004 10.589 1.00 0.00 H new ATOM 0 HA TYR A 87 6.481 2.415 11.338 1.00 0.00 H new ATOM 0 HB2 TYR A 87 6.407 1.317 8.793 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.741 2.914 8.519 1.00 0.00 H new ATOM 0 HD1 TYR A 87 8.608 1.349 10.385 1.00 0.00 H new ATOM 0 HD2 TYR A 87 7.250 4.618 8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 87 10.873 2.295 10.398 1.00 0.00 H new ATOM 0 HE2 TYR A 87 9.515 5.566 8.022 1.00 0.00 H new ATOM 0 HH TYR A 87 11.606 5.353 8.701 1.00 0.00 H new ATOM 1271 N SER A 88 5.166 4.542 11.300 1.00 0.00 N ATOM 1272 CA SER A 88 4.314 5.711 11.492 1.00 0.00 C ATOM 1273 C SER A 88 5.022 6.766 12.336 1.00 0.00 C ATOM 1274 O SER A 88 5.912 6.452 13.128 1.00 0.00 O ATOM 1275 CB SER A 88 2.999 5.305 12.160 1.00 0.00 C ATOM 1276 OG SER A 88 3.217 4.326 13.161 1.00 0.00 O ATOM 0 H SER A 88 6.116 4.650 11.656 1.00 0.00 H new ATOM 0 HA SER A 88 4.099 6.139 10.513 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.526 6.182 12.601 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.311 4.915 11.409 1.00 0.00 H new ATOM 0 HG SER A 88 2.362 4.084 13.574 1.00 0.00 H new ATOM 1282 N THR A 89 4.620 8.022 12.162 1.00 0.00 N ATOM 1283 CA THR A 89 5.215 9.125 12.906 1.00 0.00 C ATOM 1284 C THR A 89 4.553 10.450 12.546 1.00 0.00 C ATOM 1285 O THR A 89 4.252 11.263 13.420 1.00 0.00 O ATOM 1286 CB THR A 89 6.728 9.230 12.639 1.00 0.00 C ATOM 1287 OG1 THR A 89 7.252 10.415 13.250 1.00 0.00 O ATOM 1288 CG2 THR A 89 7.014 9.253 11.146 1.00 0.00 C ATOM 0 H THR A 89 3.885 8.300 11.512 1.00 0.00 H new ATOM 0 HA THR A 89 5.054 8.917 13.964 1.00 0.00 H new ATOM 0 HB THR A 89 7.213 8.355 13.071 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.215 10.474 13.077 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.089 9.328 10.983 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.640 8.336 10.690 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.518 10.112 10.694 1.00 0.00 H new ATOM 1296 N THR A 90 4.329 10.662 11.253 1.00 0.00 N ATOM 1297 CA THR A 90 3.703 11.889 10.778 1.00 0.00 C ATOM 1298 C THR A 90 4.591 13.099 11.044 1.00 0.00 C ATOM 1299 O THR A 90 4.333 13.884 11.957 1.00 0.00 O ATOM 1300 CB THR A 90 2.333 12.117 11.445 1.00 0.00 C ATOM 1301 OG1 THR A 90 1.686 10.860 11.675 1.00 0.00 O ATOM 1302 CG2 THR A 90 1.447 12.998 10.577 1.00 0.00 C ATOM 0 H THR A 90 4.572 10.000 10.516 1.00 0.00 H new ATOM 0 HA THR A 90 3.561 11.774 9.703 1.00 0.00 H new ATOM 0 HB THR A 90 2.497 12.621 12.397 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.817 11.013 12.101 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.486 13.144 11.069 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.929 13.964 10.428 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.291 12.518 9.611 1.00 0.00 H new ATOM 1310 N THR A 91 5.641 13.245 10.240 1.00 0.00 N ATOM 1311 CA THR A 91 6.568 14.359 10.390 1.00 0.00 C ATOM 1312 C THR A 91 6.661 15.174 9.105 1.00 0.00 C ATOM 1313 O THR A 91 6.550 16.400 9.126 1.00 0.00 O ATOM 1314 CB THR A 91 7.977 13.869 10.775 1.00 0.00 C ATOM 1315 OG1 THR A 91 8.586 13.202 9.664 1.00 0.00 O ATOM 1316 CG2 THR A 91 7.914 12.925 11.967 1.00 0.00 C ATOM 0 H THR A 91 5.870 12.605 9.479 1.00 0.00 H new ATOM 0 HA THR A 91 6.178 14.989 11.190 1.00 0.00 H new ATOM 0 HB THR A 91 8.577 14.737 11.049 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.482 12.896 9.917 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.920 12.592 12.221 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.478 13.445 12.820 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.299 12.061 11.715 1.00 0.00 H new ATOM 1324 N GLY A 92 6.864 14.485 7.985 1.00 0.00 N ATOM 1325 CA GLY A 92 6.967 15.162 6.706 1.00 0.00 C ATOM 1326 C GLY A 92 7.560 14.277 5.628 1.00 0.00 C ATOM 1327 O GLY A 92 7.610 13.056 5.776 1.00 0.00 O ATOM 0 H GLY A 92 6.959 13.470 7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.977 15.496 6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.583 16.054 6.819 1.00 0.00 H new ATOM 1331 N ASP A 93 8.008 14.893 4.540 1.00 0.00 N ATOM 1332 CA ASP A 93 8.601 14.153 3.431 1.00 0.00 C ATOM 1333 C ASP A 93 7.554 13.290 2.734 1.00 0.00 C ATOM 1334 O ASP A 93 7.352 12.130 3.092 1.00 0.00 O ATOM 1335 CB ASP A 93 9.750 13.279 3.931 1.00 0.00 C ATOM 1336 CG ASP A 93 10.801 13.038 2.865 1.00 0.00 C ATOM 1337 OD1 ASP A 93 10.970 13.914 1.991 1.00 0.00 O ATOM 1338 OD2 ASP A 93 11.454 11.974 2.904 1.00 0.00 O ATOM 0 H ASP A 93 7.972 15.903 4.402 1.00 0.00 H new ATOM 0 HA ASP A 93 8.990 14.873 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.215 13.755 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.354 12.322 4.269 1.00 0.00 H new ATOM 1343 N GLY A 94 6.889 13.865 1.736 1.00 0.00 N ATOM 1344 CA GLY A 94 5.871 13.133 1.005 1.00 0.00 C ATOM 1345 C GLY A 94 6.453 12.281 -0.105 1.00 0.00 C ATOM 1346 O GLY A 94 5.717 11.720 -0.918 1.00 0.00 O ATOM 0 H GLY A 94 7.037 14.824 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.319 12.496 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.156 13.838 0.581 1.00 0.00 H new ATOM 1350 N ALA A 95 7.778 12.184 -0.141 1.00 0.00 N ATOM 1351 CA ALA A 95 8.458 11.394 -1.161 1.00 0.00 C ATOM 1352 C ALA A 95 8.387 9.905 -0.838 1.00 0.00 C ATOM 1353 O ALA A 95 8.008 9.517 0.267 1.00 0.00 O ATOM 1354 CB ALA A 95 9.907 11.839 -1.294 1.00 0.00 C ATOM 0 H ALA A 95 8.402 12.642 0.524 1.00 0.00 H new ATOM 0 HA ALA A 95 7.951 11.558 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.403 11.241 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.940 12.891 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.418 11.704 -0.341 1.00 0.00 H new ATOM 1360 N ILE A 96 8.754 9.076 -1.810 1.00 0.00 N ATOM 1361 CA ILE A 96 8.733 7.630 -1.629 1.00 0.00 C ATOM 1362 C ILE A 96 9.328 7.236 -0.281 1.00 0.00 C ATOM 1363 O ILE A 96 10.371 7.750 0.123 1.00 0.00 O ATOM 1364 CB ILE A 96 9.506 6.911 -2.750 1.00 0.00 C ATOM 1365 CG1 ILE A 96 9.032 7.398 -4.120 1.00 0.00 C ATOM 1366 CG2 ILE A 96 9.334 5.404 -2.629 1.00 0.00 C ATOM 1367 CD1 ILE A 96 9.979 8.384 -4.771 1.00 0.00 C ATOM 0 H ILE A 96 9.069 9.381 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 96 7.688 7.322 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 96 10.566 7.146 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.906 6.539 -4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.052 7.864 -4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 96 9.886 4.909 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 96 9.716 5.071 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.277 5.151 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.580 8.687 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.087 9.261 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.953 7.915 -4.911 1.00 0.00 H new ATOM 1379 N ASP A 97 8.658 6.320 0.410 1.00 0.00 N ATOM 1380 CA ASP A 97 9.122 5.854 1.711 1.00 0.00 C ATOM 1381 C ASP A 97 9.513 4.380 1.653 1.00 0.00 C ATOM 1382 O ASP A 97 8.712 3.530 1.261 1.00 0.00 O ATOM 1383 CB ASP A 97 8.037 6.065 2.768 1.00 0.00 C ATOM 1384 CG ASP A 97 8.299 5.269 4.032 1.00 0.00 C ATOM 1385 OD1 ASP A 97 9.194 5.663 4.807 1.00 0.00 O ATOM 1386 OD2 ASP A 97 7.607 4.250 4.245 1.00 0.00 O ATOM 0 H ASP A 97 7.792 5.886 0.091 1.00 0.00 H new ATOM 0 HA ASP A 97 10.003 6.434 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.976 7.125 3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.070 5.778 2.355 1.00 0.00 H new ATOM 1391 N ASP A 98 10.748 4.085 2.042 1.00 0.00 N ATOM 1392 CA ASP A 98 11.246 2.714 2.035 1.00 0.00 C ATOM 1393 C ASP A 98 11.334 2.159 3.454 1.00 0.00 C ATOM 1394 O ASP A 98 12.110 2.650 4.275 1.00 0.00 O ATOM 1395 CB ASP A 98 12.617 2.651 1.363 1.00 0.00 C ATOM 1396 CG ASP A 98 13.141 1.232 1.248 1.00 0.00 C ATOM 1397 OD1 ASP A 98 12.420 0.299 1.656 1.00 0.00 O ATOM 1398 OD2 ASP A 98 14.274 1.056 0.751 1.00 0.00 O ATOM 0 H ASP A 98 11.423 4.777 2.366 1.00 0.00 H new ATOM 0 HA ASP A 98 10.544 2.102 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.552 3.093 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.326 3.252 1.933 1.00 0.00 H new ATOM 1403 N ILE A 99 10.533 1.137 3.735 1.00 0.00 N ATOM 1404 CA ILE A 99 10.522 0.516 5.054 1.00 0.00 C ATOM 1405 C ILE A 99 11.303 -0.792 5.053 1.00 0.00 C ATOM 1406 O ILE A 99 11.264 -1.552 4.084 1.00 0.00 O ATOM 1407 CB ILE A 99 9.085 0.243 5.534 1.00 0.00 C ATOM 1408 CG1 ILE A 99 8.346 1.560 5.781 1.00 0.00 C ATOM 1409 CG2 ILE A 99 9.100 -0.605 6.796 1.00 0.00 C ATOM 1410 CD1 ILE A 99 6.840 1.420 5.776 1.00 0.00 C ATOM 0 H ILE A 99 9.883 0.721 3.067 1.00 0.00 H new ATOM 0 HA ILE A 99 10.998 1.219 5.738 1.00 0.00 H new ATOM 0 HB ILE A 99 8.557 -0.307 4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.661 1.969 6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.638 2.280 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.077 -0.789 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.592 -1.556 6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.642 -0.079 7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.384 2.393 5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.513 1.041 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.537 0.725 6.559 1.00 0.00 H new ATOM 1422 N THR A 100 12.013 -1.052 6.146 1.00 0.00 N ATOM 1423 CA THR A 100 12.804 -2.270 6.272 1.00 0.00 C ATOM 1424 C THR A 100 12.723 -2.834 7.686 1.00 0.00 C ATOM 1425 O THR A 100 12.945 -2.120 8.664 1.00 0.00 O ATOM 1426 CB THR A 100 14.282 -2.020 5.916 1.00 0.00 C ATOM 1427 OG1 THR A 100 14.942 -1.357 7.000 1.00 0.00 O ATOM 1428 CG2 THR A 100 14.399 -1.179 4.654 1.00 0.00 C ATOM 0 H THR A 100 12.057 -0.435 6.957 1.00 0.00 H new ATOM 0 HA THR A 100 12.386 -2.992 5.571 1.00 0.00 H new ATOM 0 HB THR A 100 14.758 -2.984 5.737 1.00 0.00 H new ATOM 0 HG1 THR A 100 14.350 -1.337 7.781 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.451 -1.015 4.422 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.921 -1.700 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.908 -0.218 4.810 1.00 0.00 H new ATOM 1436 N PHE A 101 12.403 -4.120 7.788 1.00 0.00 N ATOM 1437 CA PHE A 101 12.292 -4.780 9.083 1.00 0.00 C ATOM 1438 C PHE A 101 12.827 -6.208 9.014 1.00 0.00 C ATOM 1439 O PHE A 101 13.370 -6.629 7.993 1.00 0.00 O ATOM 1440 CB PHE A 101 10.834 -4.792 9.550 1.00 0.00 C ATOM 1441 CG PHE A 101 10.394 -3.499 10.173 1.00 0.00 C ATOM 1442 CD1 PHE A 101 9.892 -2.472 9.388 1.00 0.00 C ATOM 1443 CD2 PHE A 101 10.482 -3.307 11.542 1.00 0.00 C ATOM 1444 CE1 PHE A 101 9.486 -1.280 9.959 1.00 0.00 C ATOM 1445 CE2 PHE A 101 10.078 -2.118 12.119 1.00 0.00 C ATOM 1446 CZ PHE A 101 9.578 -1.103 11.326 1.00 0.00 C ATOM 0 H PHE A 101 12.216 -4.726 6.989 1.00 0.00 H new ATOM 0 HA PHE A 101 12.892 -4.220 9.800 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.190 -5.014 8.699 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.698 -5.598 10.271 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.817 -2.605 8.319 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.872 -4.097 12.167 1.00 0.00 H new ATOM 0 HE1 PHE A 101 9.097 -0.488 9.337 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.153 -1.982 13.188 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.260 -0.173 11.774 1.00 0.00 H new ATOM 1456 N ALA A 102 12.669 -6.946 10.108 1.00 0.00 N ATOM 1457 CA ALA A 102 13.134 -8.327 10.171 1.00 0.00 C ATOM 1458 C ALA A 102 12.211 -9.254 9.388 1.00 0.00 C ATOM 1459 O ALA A 102 11.063 -8.910 9.110 1.00 0.00 O ATOM 1460 CB ALA A 102 13.239 -8.781 11.619 1.00 0.00 C ATOM 0 H ALA A 102 12.223 -6.611 10.962 1.00 0.00 H new ATOM 0 HA ALA A 102 14.123 -8.374 9.714 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.587 -9.813 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 102 13.945 -8.143 12.150 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.260 -8.713 12.094 1.00 0.00 H new ATOM 1466 N ALA A 103 12.720 -10.430 9.036 1.00 0.00 N ATOM 1467 CA ALA A 103 11.941 -11.407 8.286 1.00 0.00 C ATOM 1468 C ALA A 103 10.677 -11.797 9.044 1.00 0.00 C ATOM 1469 O ALA A 103 10.730 -12.552 10.017 1.00 0.00 O ATOM 1470 CB ALA A 103 12.783 -12.638 7.990 1.00 0.00 C ATOM 0 H ALA A 103 13.669 -10.729 9.259 1.00 0.00 H new ATOM 0 HA ALA A 103 11.642 -10.951 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.188 -13.359 7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.654 -12.350 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 103 13.111 -13.088 8.927 1.00 0.00 H new ATOM 1476 N THR A 104 9.538 -11.279 8.594 1.00 0.00 N ATOM 1477 CA THR A 104 8.260 -11.573 9.231 1.00 0.00 C ATOM 1478 C THR A 104 7.283 -12.196 8.241 1.00 0.00 C ATOM 1479 O THR A 104 7.156 -11.735 7.107 1.00 0.00 O ATOM 1480 CB THR A 104 7.627 -10.303 9.830 1.00 0.00 C ATOM 1481 OG1 THR A 104 7.820 -9.195 8.945 1.00 0.00 O ATOM 1482 CG2 THR A 104 8.233 -9.987 11.189 1.00 0.00 C ATOM 0 H THR A 104 9.475 -10.654 7.791 1.00 0.00 H new ATOM 0 HA THR A 104 8.462 -12.283 10.033 1.00 0.00 H new ATOM 0 HB THR A 104 6.559 -10.481 9.959 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.413 -8.392 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.771 -9.086 11.593 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.057 -10.821 11.869 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.306 -9.827 11.081 1.00 0.00 H new ATOM 1490 N ASN A 105 6.594 -13.246 8.676 1.00 0.00 N ATOM 1491 CA ASN A 105 5.627 -13.932 7.827 1.00 0.00 C ATOM 1492 C ASN A 105 4.276 -13.221 7.857 1.00 0.00 C ATOM 1493 O ASN A 105 3.783 -12.850 8.922 1.00 0.00 O ATOM 1494 CB ASN A 105 5.462 -15.384 8.277 1.00 0.00 C ATOM 1495 CG ASN A 105 5.387 -15.517 9.787 1.00 0.00 C ATOM 1496 OD1 ASN A 105 4.417 -15.088 10.412 1.00 0.00 O ATOM 1497 ND2 ASN A 105 6.415 -16.114 10.379 1.00 0.00 N ATOM 0 H ASN A 105 6.688 -13.640 9.612 1.00 0.00 H new ATOM 0 HA ASN A 105 6.003 -13.917 6.804 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.557 -15.798 7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.299 -15.974 7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.422 -16.232 11.392 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.198 -16.454 9.821 1.00 0.00 H new ATOM 1504 N ALA A 106 3.684 -13.038 6.682 1.00 0.00 N ATOM 1505 CA ALA A 106 2.391 -12.377 6.574 1.00 0.00 C ATOM 1506 C ALA A 106 1.669 -12.786 5.294 1.00 0.00 C ATOM 1507 O ALA A 106 2.296 -13.221 4.327 1.00 0.00 O ATOM 1508 CB ALA A 106 2.565 -10.865 6.622 1.00 0.00 C ATOM 0 H ALA A 106 4.080 -13.339 5.791 1.00 0.00 H new ATOM 0 HA ALA A 106 1.780 -12.690 7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.590 -10.384 6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.031 -10.582 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.198 -10.545 5.794 1.00 0.00 H new ATOM 1514 N LYS A 107 0.347 -12.647 5.294 1.00 0.00 N ATOM 1515 CA LYS A 107 -0.460 -13.003 4.134 1.00 0.00 C ATOM 1516 C LYS A 107 -0.680 -11.792 3.232 1.00 0.00 C ATOM 1517 O LYS A 107 -0.145 -11.724 2.125 1.00 0.00 O ATOM 1518 CB LYS A 107 -1.809 -13.571 4.580 1.00 0.00 C ATOM 1519 CG LYS A 107 -1.690 -14.695 5.595 1.00 0.00 C ATOM 1520 CD LYS A 107 -2.109 -16.029 5.000 1.00 0.00 C ATOM 1521 CE LYS A 107 -3.583 -16.035 4.630 1.00 0.00 C ATOM 1522 NZ LYS A 107 -3.793 -16.371 3.194 1.00 0.00 N ATOM 0 H LYS A 107 -0.188 -12.290 6.086 1.00 0.00 H new ATOM 0 HA LYS A 107 0.078 -13.763 3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.408 -12.768 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.346 -13.938 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.661 -14.760 5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.311 -14.471 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.509 -16.238 4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.909 -16.827 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.111 -16.757 5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.014 -15.056 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.811 -16.365 2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.311 -15.668 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.404 -17.315 2.998 1.00 0.00 H new ATOM 1536 N PHE A 108 -1.468 -10.836 3.714 1.00 0.00 N ATOM 1537 CA PHE A 108 -1.758 -9.627 2.952 1.00 0.00 C ATOM 1538 C PHE A 108 -1.205 -8.393 3.660 1.00 0.00 C ATOM 1539 O PHE A 108 -1.156 -8.338 4.888 1.00 0.00 O ATOM 1540 CB PHE A 108 -3.267 -9.479 2.746 1.00 0.00 C ATOM 1541 CG PHE A 108 -3.973 -10.785 2.524 1.00 0.00 C ATOM 1542 CD1 PHE A 108 -3.351 -11.817 1.840 1.00 0.00 C ATOM 1543 CD2 PHE A 108 -5.259 -10.981 2.999 1.00 0.00 C ATOM 1544 CE1 PHE A 108 -3.997 -13.021 1.635 1.00 0.00 C ATOM 1545 CE2 PHE A 108 -5.911 -12.183 2.797 1.00 0.00 C ATOM 1546 CZ PHE A 108 -5.280 -13.205 2.113 1.00 0.00 C ATOM 0 H PHE A 108 -1.917 -10.875 4.629 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.273 -9.714 1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.698 -8.986 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.447 -8.828 1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.349 -11.679 1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -5.758 -10.186 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.499 -13.817 1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.913 -12.324 3.174 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.788 -14.144 1.953 1.00 0.00 H new ATOM 1556 N VAL A 109 -0.791 -7.405 2.874 1.00 0.00 N ATOM 1557 CA VAL A 109 -0.242 -6.170 3.423 1.00 0.00 C ATOM 1558 C VAL A 109 -1.145 -4.982 3.113 1.00 0.00 C ATOM 1559 O VAL A 109 -1.690 -4.873 2.014 1.00 0.00 O ATOM 1560 CB VAL A 109 1.168 -5.887 2.871 1.00 0.00 C ATOM 1561 CG1 VAL A 109 1.802 -4.714 3.603 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.040 -7.128 2.979 1.00 0.00 C ATOM 0 H VAL A 109 -0.825 -7.435 1.855 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.180 -6.304 4.503 1.00 0.00 H new ATOM 0 HB VAL A 109 1.081 -5.622 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.798 -4.529 3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.185 -3.825 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.878 -4.946 4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.033 -6.911 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.122 -7.425 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.591 -7.939 2.405 1.00 0.00 H new ATOM 1572 N ARG A 110 -1.298 -4.092 4.088 1.00 0.00 N ATOM 1573 CA ARG A 110 -2.136 -2.910 3.919 1.00 0.00 C ATOM 1574 C ARG A 110 -1.355 -1.639 4.237 1.00 0.00 C ATOM 1575 O ARG A 110 -0.646 -1.568 5.242 1.00 0.00 O ATOM 1576 CB ARG A 110 -3.370 -3.001 4.818 1.00 0.00 C ATOM 1577 CG ARG A 110 -3.060 -3.460 6.233 1.00 0.00 C ATOM 1578 CD ARG A 110 -3.653 -4.831 6.517 1.00 0.00 C ATOM 1579 NE ARG A 110 -4.121 -4.951 7.894 1.00 0.00 N ATOM 1580 CZ ARG A 110 -5.010 -5.855 8.293 1.00 0.00 C ATOM 1581 NH1 ARG A 110 -5.523 -6.713 7.422 1.00 0.00 N ATOM 1582 NH2 ARG A 110 -5.386 -5.901 9.564 1.00 0.00 N ATOM 0 H ARG A 110 -0.853 -4.167 5.003 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.455 -2.868 2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.852 -2.024 4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.085 -3.691 4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.980 -3.493 6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.455 -2.737 6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.483 -5.015 5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.903 -5.598 6.321 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.745 -4.306 8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.236 -6.680 6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.205 -7.406 7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.993 -5.242 10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.068 -6.595 9.869 1.00 0.00 H new ATOM 1596 N VAL A 111 -1.487 -0.637 3.374 1.00 0.00 N ATOM 1597 CA VAL A 111 -0.793 0.632 3.562 1.00 0.00 C ATOM 1598 C VAL A 111 -1.766 1.805 3.495 1.00 0.00 C ATOM 1599 O VAL A 111 -2.647 1.845 2.637 1.00 0.00 O ATOM 1600 CB VAL A 111 0.308 0.831 2.505 1.00 0.00 C ATOM 1601 CG1 VAL A 111 1.247 -0.365 2.479 1.00 0.00 C ATOM 1602 CG2 VAL A 111 -0.306 1.067 1.134 1.00 0.00 C ATOM 0 H VAL A 111 -2.069 -0.679 2.537 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.335 0.600 4.551 1.00 0.00 H new ATOM 0 HB VAL A 111 0.890 1.713 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.018 -0.206 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.714 -0.482 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.683 -1.265 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.487 1.206 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.913 0.206 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.932 1.959 1.164 1.00 0.00 H new ATOM 1612 N TYR A 112 -1.598 2.757 4.407 1.00 0.00 N ATOM 1613 CA TYR A 112 -2.463 3.930 4.453 1.00 0.00 C ATOM 1614 C TYR A 112 -1.703 5.145 4.975 1.00 0.00 C ATOM 1615 O TYR A 112 -0.718 5.011 5.701 1.00 0.00 O ATOM 1616 CB TYR A 112 -3.681 3.658 5.336 1.00 0.00 C ATOM 1617 CG TYR A 112 -3.389 3.754 6.817 1.00 0.00 C ATOM 1618 CD1 TYR A 112 -2.733 2.726 7.484 1.00 0.00 C ATOM 1619 CD2 TYR A 112 -3.768 4.872 7.549 1.00 0.00 C ATOM 1620 CE1 TYR A 112 -2.465 2.808 8.836 1.00 0.00 C ATOM 1621 CE2 TYR A 112 -3.503 4.964 8.902 1.00 0.00 C ATOM 1622 CZ TYR A 112 -2.850 3.930 9.541 1.00 0.00 C ATOM 1623 OH TYR A 112 -2.584 4.017 10.888 1.00 0.00 O ATOM 0 H TYR A 112 -0.872 2.739 5.123 1.00 0.00 H new ATOM 0 HA TYR A 112 -2.800 4.142 3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -4.469 4.368 5.083 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.065 2.663 5.114 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.428 1.848 6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.279 5.684 7.052 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.957 1.999 9.339 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.805 5.840 9.456 1.00 0.00 H new ATOM 0 HH TYR A 112 -2.919 4.871 11.233 1.00 0.00 H new ATOM 1633 N ALA A 113 -2.169 6.332 4.600 1.00 0.00 N ATOM 1634 CA ALA A 113 -1.536 7.572 5.032 1.00 0.00 C ATOM 1635 C ALA A 113 -2.331 8.232 6.154 1.00 0.00 C ATOM 1636 O ALA A 113 -3.349 7.704 6.603 1.00 0.00 O ATOM 1637 CB ALA A 113 -1.387 8.526 3.856 1.00 0.00 C ATOM 0 H ALA A 113 -2.982 6.461 3.998 1.00 0.00 H new ATOM 0 HA ALA A 113 -0.545 7.331 5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.913 9.448 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -0.771 8.061 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.371 8.753 3.445 1.00 0.00 H new ATOM 1643 N THR A 114 -1.860 9.391 6.603 1.00 0.00 N ATOM 1644 CA THR A 114 -2.526 10.123 7.674 1.00 0.00 C ATOM 1645 C THR A 114 -2.934 11.518 7.216 1.00 0.00 C ATOM 1646 O THR A 114 -3.831 12.135 7.791 1.00 0.00 O ATOM 1647 CB THR A 114 -1.623 10.247 8.915 1.00 0.00 C ATOM 1648 OG1 THR A 114 -2.372 10.774 10.016 1.00 0.00 O ATOM 1649 CG2 THR A 114 -0.431 11.147 8.630 1.00 0.00 C ATOM 0 H THR A 114 -1.020 9.843 6.242 1.00 0.00 H new ATOM 0 HA THR A 114 -3.418 9.555 7.937 1.00 0.00 H new ATOM 0 HB THR A 114 -1.255 9.253 9.169 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.791 10.848 10.801 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.192 11.219 9.522 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.154 10.728 7.811 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.783 12.140 8.352 1.00 0.00 H new ATOM 1657 N THR A 115 -2.269 12.012 6.175 1.00 0.00 N ATOM 1658 CA THR A 115 -2.562 13.336 5.640 1.00 0.00 C ATOM 1659 C THR A 115 -3.864 13.332 4.846 1.00 0.00 C ATOM 1660 O THR A 115 -4.310 12.286 4.374 1.00 0.00 O ATOM 1661 CB THR A 115 -1.423 13.840 4.734 1.00 0.00 C ATOM 1662 OG1 THR A 115 -0.156 13.559 5.338 1.00 0.00 O ATOM 1663 CG2 THR A 115 -1.552 15.335 4.485 1.00 0.00 C ATOM 0 H THR A 115 -1.524 11.515 5.686 1.00 0.00 H new ATOM 0 HA THR A 115 -2.662 14.007 6.493 1.00 0.00 H new ATOM 0 HB THR A 115 -1.492 13.321 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 115 -0.146 13.907 6.254 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.737 15.669 3.843 1.00 0.00 H new ATOM 0 HG22 THR A 115 -2.505 15.542 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.506 15.867 5.435 1.00 0.00 H new ATOM 1671 N ARG A 116 -4.467 14.506 4.701 1.00 0.00 N ATOM 1672 CA ARG A 116 -5.718 14.637 3.964 1.00 0.00 C ATOM 1673 C ARG A 116 -5.454 14.832 2.474 1.00 0.00 C ATOM 1674 O ARG A 116 -6.377 15.063 1.695 1.00 0.00 O ATOM 1675 CB ARG A 116 -6.533 15.813 4.506 1.00 0.00 C ATOM 1676 CG ARG A 116 -7.831 15.395 5.179 1.00 0.00 C ATOM 1677 CD ARG A 116 -8.388 16.507 6.054 1.00 0.00 C ATOM 1678 NE ARG A 116 -8.224 16.218 7.477 1.00 0.00 N ATOM 1679 CZ ARG A 116 -8.668 17.013 8.444 1.00 0.00 C ATOM 1680 NH1 ARG A 116 -9.298 18.140 8.143 1.00 0.00 N ATOM 1681 NH2 ARG A 116 -8.481 16.682 9.715 1.00 0.00 N ATOM 0 H ARG A 116 -4.110 15.381 5.084 1.00 0.00 H new ATOM 0 HA ARG A 116 -6.287 13.717 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.925 16.367 5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -6.761 16.494 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -8.565 15.125 4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -7.658 14.506 5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -7.885 17.444 5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -9.446 16.647 5.832 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.742 15.359 7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -9.443 18.398 7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -9.638 18.749 8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -7.996 15.816 9.950 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -8.822 17.293 10.457 1.00 0.00 H new ATOM 1695 N ALA A 117 -4.186 14.739 2.086 1.00 0.00 N ATOM 1696 CA ALA A 117 -3.799 14.904 0.691 1.00 0.00 C ATOM 1697 C ALA A 117 -4.467 16.129 0.077 1.00 0.00 C ATOM 1698 O ALA A 117 -5.508 16.024 -0.574 1.00 0.00 O ATOM 1699 CB ALA A 117 -4.152 13.655 -0.105 1.00 0.00 C ATOM 0 H ALA A 117 -3.409 14.550 2.719 1.00 0.00 H new ATOM 0 HA ALA A 117 -2.720 15.054 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -3.858 13.791 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.625 12.797 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.227 13.481 -0.052 1.00 0.00 H new ATOM 1705 N THR A 118 -3.862 17.295 0.289 1.00 0.00 N ATOM 1706 CA THR A 118 -4.400 18.541 -0.241 1.00 0.00 C ATOM 1707 C THR A 118 -4.410 18.531 -1.765 1.00 0.00 C ATOM 1708 O THR A 118 -5.458 18.358 -2.388 1.00 0.00 O ATOM 1709 CB THR A 118 -3.588 19.756 0.247 1.00 0.00 C ATOM 1710 OG1 THR A 118 -2.188 19.455 0.212 1.00 0.00 O ATOM 1711 CG2 THR A 118 -3.992 20.143 1.661 1.00 0.00 C ATOM 0 H THR A 118 -3.000 17.401 0.824 1.00 0.00 H new ATOM 0 HA THR A 118 -5.423 18.625 0.126 1.00 0.00 H new ATOM 0 HB THR A 118 -3.796 20.595 -0.417 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.678 20.233 0.522 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.406 21.003 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.051 20.398 1.680 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.809 19.305 2.334 1.00 0.00 H new ATOM 1719 N ALA A 119 -3.237 18.718 -2.362 1.00 0.00 N ATOM 1720 CA ALA A 119 -3.111 18.727 -3.814 1.00 0.00 C ATOM 1721 C ALA A 119 -3.843 17.543 -4.436 1.00 0.00 C ATOM 1722 O ALA A 119 -4.994 17.664 -4.860 1.00 0.00 O ATOM 1723 CB ALA A 119 -1.644 18.714 -4.217 1.00 0.00 C ATOM 0 H ALA A 119 -2.360 18.865 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.571 19.642 -4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.565 18.721 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -1.147 19.596 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.167 17.816 -3.824 1.00 0.00 H new ATOM 1729 N TYR A 120 -3.170 16.399 -4.490 1.00 0.00 N ATOM 1730 CA TYR A 120 -3.756 15.194 -5.063 1.00 0.00 C ATOM 1731 C TYR A 120 -4.280 14.269 -3.969 1.00 0.00 C ATOM 1732 O TYR A 120 -4.305 14.630 -2.793 1.00 0.00 O ATOM 1733 CB TYR A 120 -2.724 14.456 -5.918 1.00 0.00 C ATOM 1734 CG TYR A 120 -3.048 14.460 -7.395 1.00 0.00 C ATOM 1735 CD1 TYR A 120 -4.184 13.823 -7.879 1.00 0.00 C ATOM 1736 CD2 TYR A 120 -2.218 15.099 -8.307 1.00 0.00 C ATOM 1737 CE1 TYR A 120 -4.484 13.821 -9.226 1.00 0.00 C ATOM 1738 CE2 TYR A 120 -2.510 15.105 -9.657 1.00 0.00 C ATOM 1739 CZ TYR A 120 -3.643 14.465 -10.112 1.00 0.00 C ATOM 1740 OH TYR A 120 -3.939 14.467 -11.457 1.00 0.00 O ATOM 0 H TYR A 120 -2.218 16.281 -4.144 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.594 15.493 -5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.746 14.913 -5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.650 13.425 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -4.845 13.320 -7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -1.329 15.600 -7.954 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -5.370 13.319 -9.585 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -1.854 15.608 -10.352 1.00 0.00 H new ATOM 0 HH TYR A 120 -3.248 14.964 -11.943 1.00 0.00 H new ATOM 1750 N GLY A 121 -4.699 13.070 -4.366 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.217 12.111 -3.408 1.00 0.00 C ATOM 1752 C GLY A 121 -4.194 11.057 -3.032 1.00 0.00 C ATOM 1753 O GLY A 121 -3.522 11.173 -2.006 1.00 0.00 O ATOM 0 H GLY A 121 -4.689 12.747 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.539 12.637 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -6.099 11.625 -3.826 1.00 0.00 H new ATOM 1757 N TYR A 122 -4.074 10.028 -3.862 1.00 0.00 N ATOM 1758 CA TYR A 122 -3.129 8.948 -3.609 1.00 0.00 C ATOM 1759 C TYR A 122 -2.550 8.412 -4.915 1.00 0.00 C ATOM 1760 O TYR A 122 -3.279 8.176 -5.879 1.00 0.00 O ATOM 1761 CB TYR A 122 -3.809 7.815 -2.838 1.00 0.00 C ATOM 1762 CG TYR A 122 -2.878 6.680 -2.480 1.00 0.00 C ATOM 1763 CD1 TYR A 122 -1.538 6.916 -2.199 1.00 0.00 C ATOM 1764 CD2 TYR A 122 -3.337 5.370 -2.423 1.00 0.00 C ATOM 1765 CE1 TYR A 122 -0.683 5.882 -1.873 1.00 0.00 C ATOM 1766 CE2 TYR A 122 -2.489 4.329 -2.096 1.00 0.00 C ATOM 1767 CZ TYR A 122 -1.162 4.591 -1.822 1.00 0.00 C ATOM 1768 OH TYR A 122 -0.314 3.557 -1.496 1.00 0.00 O ATOM 0 H TYR A 122 -4.620 9.919 -4.717 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.313 9.349 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -4.243 8.219 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -4.632 7.423 -3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -1.158 7.926 -2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -4.375 5.162 -2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.356 6.084 -1.659 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -2.862 3.316 -2.055 1.00 0.00 H new ATOM 0 HH TYR A 122 0.389 3.887 -0.898 1.00 0.00 H new ATOM 1778 N SER A 123 -1.235 8.221 -4.938 1.00 0.00 N ATOM 1779 CA SER A 123 -0.557 7.716 -6.127 1.00 0.00 C ATOM 1780 C SER A 123 0.540 6.727 -5.746 1.00 0.00 C ATOM 1781 O SER A 123 1.550 7.101 -5.146 1.00 0.00 O ATOM 1782 CB SER A 123 0.040 8.874 -6.929 1.00 0.00 C ATOM 1783 OG SER A 123 -0.831 9.272 -7.973 1.00 0.00 O ATOM 0 H SER A 123 -0.618 8.408 -4.148 1.00 0.00 H new ATOM 0 HA SER A 123 -1.292 7.198 -6.743 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.230 9.719 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.001 8.574 -7.347 1.00 0.00 H new ATOM 0 HG SER A 123 -1.109 8.484 -8.485 1.00 0.00 H new ATOM 1789 N LEU A 124 0.337 5.463 -6.099 1.00 0.00 N ATOM 1790 CA LEU A 124 1.309 4.418 -5.796 1.00 0.00 C ATOM 1791 C LEU A 124 1.971 3.903 -7.070 1.00 0.00 C ATOM 1792 O LEU A 124 1.860 2.724 -7.406 1.00 0.00 O ATOM 1793 CB LEU A 124 0.631 3.262 -5.058 1.00 0.00 C ATOM 1794 CG LEU A 124 -0.629 2.695 -5.713 1.00 0.00 C ATOM 1795 CD1 LEU A 124 -0.367 1.296 -6.253 1.00 0.00 C ATOM 1796 CD2 LEU A 124 -1.784 2.677 -4.723 1.00 0.00 C ATOM 0 H LEU A 124 -0.492 5.136 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 124 2.080 4.848 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 124 1.354 2.454 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.374 3.599 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.902 3.340 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.275 0.909 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.430 1.336 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.068 0.640 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.672 2.270 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.520 2.055 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.989 3.693 -4.384 1.00 0.00 H new ATOM 1808 N TRP A 125 2.660 4.794 -7.774 1.00 0.00 N ATOM 1809 CA TRP A 125 3.342 4.429 -9.010 1.00 0.00 C ATOM 1810 C TRP A 125 4.554 3.550 -8.724 1.00 0.00 C ATOM 1811 O TRP A 125 5.145 2.977 -9.639 1.00 0.00 O ATOM 1812 CB TRP A 125 3.775 5.686 -9.768 1.00 0.00 C ATOM 1813 CG TRP A 125 2.643 6.383 -10.459 1.00 0.00 C ATOM 1814 CD1 TRP A 125 1.316 6.299 -10.147 1.00 0.00 C ATOM 1815 CD2 TRP A 125 2.739 7.269 -11.579 1.00 0.00 C ATOM 1816 NE1 TRP A 125 0.581 7.079 -11.008 1.00 0.00 N ATOM 1817 CE2 TRP A 125 1.430 7.685 -11.894 1.00 0.00 C ATOM 1818 CE3 TRP A 125 3.801 7.753 -12.347 1.00 0.00 C ATOM 1819 CZ2 TRP A 125 1.160 8.560 -12.943 1.00 0.00 C ATOM 1820 CZ3 TRP A 125 3.532 8.621 -13.386 1.00 0.00 C ATOM 1821 CH2 TRP A 125 2.219 9.019 -13.678 1.00 0.00 C ATOM 0 H TRP A 125 2.761 5.774 -7.510 1.00 0.00 H new ATOM 0 HA TRP A 125 2.644 3.863 -9.627 1.00 0.00 H new ATOM 0 HB2 TRP A 125 4.246 6.378 -9.070 1.00 0.00 H new ATOM 0 HB3 TRP A 125 4.530 5.414 -10.506 1.00 0.00 H new ATOM 0 HD1 TRP A 125 0.905 5.707 -9.343 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -0.433 7.188 -10.989 1.00 0.00 H new ATOM 0 HE3 TRP A 125 4.816 7.453 -12.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.149 8.866 -13.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 4.347 9.000 -13.985 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.041 9.700 -14.497 1.00 0.00 H new ATOM 1832 N GLU A 126 4.918 3.448 -7.450 1.00 0.00 N ATOM 1833 CA GLU A 126 6.061 2.637 -7.046 1.00 0.00 C ATOM 1834 C GLU A 126 5.801 1.961 -5.702 1.00 0.00 C ATOM 1835 O GLU A 126 6.432 2.289 -4.697 1.00 0.00 O ATOM 1836 CB GLU A 126 7.321 3.500 -6.960 1.00 0.00 C ATOM 1837 CG GLU A 126 8.595 2.753 -7.318 1.00 0.00 C ATOM 1838 CD GLU A 126 9.765 3.684 -7.574 1.00 0.00 C ATOM 1839 OE1 GLU A 126 10.178 4.391 -6.632 1.00 0.00 O ATOM 1840 OE2 GLU A 126 10.265 3.705 -8.718 1.00 0.00 O ATOM 0 H GLU A 126 4.439 3.916 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 126 6.210 1.863 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.212 4.355 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 126 7.413 3.894 -5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 126 8.850 2.069 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 126 8.418 2.145 -8.205 1.00 0.00 H new ATOM 1847 N PHE A 127 4.866 1.017 -5.692 1.00 0.00 N ATOM 1848 CA PHE A 127 4.520 0.296 -4.472 1.00 0.00 C ATOM 1849 C PHE A 127 4.768 -1.200 -4.636 1.00 0.00 C ATOM 1850 O PHE A 127 4.030 -1.888 -5.339 1.00 0.00 O ATOM 1851 CB PHE A 127 3.055 0.545 -4.106 1.00 0.00 C ATOM 1852 CG PHE A 127 2.598 -0.233 -2.904 1.00 0.00 C ATOM 1853 CD1 PHE A 127 3.481 -0.531 -1.879 1.00 0.00 C ATOM 1854 CD2 PHE A 127 1.286 -0.665 -2.802 1.00 0.00 C ATOM 1855 CE1 PHE A 127 3.063 -1.246 -0.772 1.00 0.00 C ATOM 1856 CE2 PHE A 127 0.863 -1.380 -1.697 1.00 0.00 C ATOM 1857 CZ PHE A 127 1.753 -1.672 -0.682 1.00 0.00 C ATOM 0 H PHE A 127 4.334 0.733 -6.515 1.00 0.00 H new ATOM 0 HA PHE A 127 5.156 0.666 -3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 127 2.912 1.609 -3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 127 2.426 0.285 -4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.507 -0.201 -1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.586 -0.441 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 127 3.760 -1.471 0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.163 -1.710 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.425 -2.233 0.181 1.00 0.00 H new ATOM 1867 N GLU A 128 5.814 -1.695 -3.982 1.00 0.00 N ATOM 1868 CA GLU A 128 6.161 -3.110 -4.056 1.00 0.00 C ATOM 1869 C GLU A 128 6.310 -3.708 -2.660 1.00 0.00 C ATOM 1870 O GLU A 128 7.086 -3.216 -1.841 1.00 0.00 O ATOM 1871 CB GLU A 128 7.458 -3.299 -4.845 1.00 0.00 C ATOM 1872 CG GLU A 128 7.240 -3.508 -6.334 1.00 0.00 C ATOM 1873 CD GLU A 128 7.412 -2.230 -7.133 1.00 0.00 C ATOM 1874 OE1 GLU A 128 8.562 -1.762 -7.265 1.00 0.00 O ATOM 1875 OE2 GLU A 128 6.395 -1.700 -7.627 1.00 0.00 O ATOM 0 H GLU A 128 6.435 -1.138 -3.395 1.00 0.00 H new ATOM 0 HA GLU A 128 5.352 -3.629 -4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.093 -2.425 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.997 -4.156 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 128 7.942 -4.258 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.238 -3.903 -6.499 1.00 0.00 H new ATOM 1882 N VAL A 129 5.559 -4.773 -2.395 1.00 0.00 N ATOM 1883 CA VAL A 129 5.606 -5.439 -1.099 1.00 0.00 C ATOM 1884 C VAL A 129 5.515 -6.952 -1.255 1.00 0.00 C ATOM 1885 O VAL A 129 4.466 -7.486 -1.621 1.00 0.00 O ATOM 1886 CB VAL A 129 4.469 -4.958 -0.179 1.00 0.00 C ATOM 1887 CG1 VAL A 129 3.131 -5.033 -0.899 1.00 0.00 C ATOM 1888 CG2 VAL A 129 4.440 -5.776 1.103 1.00 0.00 C ATOM 0 H VAL A 129 4.911 -5.193 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 129 6.563 -5.181 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 129 4.654 -3.917 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.340 -4.689 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.159 -4.400 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.934 -6.064 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.630 -5.423 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.279 -6.826 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.390 -5.666 1.627 1.00 0.00 H new ATOM 1898 N TYR A 130 6.617 -7.638 -0.975 1.00 0.00 N ATOM 1899 CA TYR A 130 6.661 -9.091 -1.087 1.00 0.00 C ATOM 1900 C TYR A 130 7.952 -9.645 -0.490 1.00 0.00 C ATOM 1901 O TYR A 130 8.924 -8.915 -0.301 1.00 0.00 O ATOM 1902 CB TYR A 130 6.541 -9.516 -2.552 1.00 0.00 C ATOM 1903 CG TYR A 130 5.115 -9.744 -3.001 1.00 0.00 C ATOM 1904 CD1 TYR A 130 4.178 -10.307 -2.145 1.00 0.00 C ATOM 1905 CD2 TYR A 130 4.706 -9.393 -4.283 1.00 0.00 C ATOM 1906 CE1 TYR A 130 2.875 -10.518 -2.552 1.00 0.00 C ATOM 1907 CE2 TYR A 130 3.404 -9.599 -4.698 1.00 0.00 C ATOM 1908 CZ TYR A 130 2.493 -10.162 -3.830 1.00 0.00 C ATOM 1909 OH TYR A 130 1.195 -10.368 -4.238 1.00 0.00 O ATOM 0 H TYR A 130 7.492 -7.212 -0.669 1.00 0.00 H new ATOM 0 HA TYR A 130 5.819 -9.498 -0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 130 6.994 -8.750 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.112 -10.432 -2.704 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.473 -10.585 -1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.418 -8.952 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 130 2.159 -10.959 -1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.102 -9.320 -5.697 1.00 0.00 H new ATOM 0 HH TYR A 130 0.696 -9.526 -4.179 1.00 0.00 H new ATOM 1919 N GLY A 131 7.952 -10.941 -0.194 1.00 0.00 N ATOM 1920 CA GLY A 131 9.127 -11.571 0.378 1.00 0.00 C ATOM 1921 C GLY A 131 10.313 -11.551 -0.566 1.00 0.00 C ATOM 1922 O GLY A 131 10.314 -12.240 -1.585 1.00 0.00 O ATOM 0 H GLY A 131 7.159 -11.566 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.395 -11.061 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 131 8.892 -12.603 0.639 1.00 0.00 H new TER 1926 GLY A 131