USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 757 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 56 MET CE :methyl -138:sc= -2.31 (180deg=-2.33!) USER MOD Set 1.2: A 85 GLN : amide:sc= -1.62 K(o=-3.9,f=-6.2!) USER MOD Set 2.1: A 27 THR OG1 : rot 167:sc= 1.11 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.951 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.19) USER MOD Single : A 17 THR OG1 : rot -91:sc= 1.17 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.0049) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-2.9!) USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= -0.0552 (180deg=-0.413) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 48 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.13) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.6) USER MOD Single : A 55 GLN : amide:sc= -0.0291 X(o=-0.029,f=0.37) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.21) USER MOD Single : A 64 THR OG1 : rot -68:sc= 0.137 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 151:sc= -0.882 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 89 MET CE :methyl -163:sc= -0.827 (180deg=-1.71!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.66) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.574 19.905 13.819 1.00 0.00 N ATOM 2 CA GLY A 1 10.170 19.926 14.185 1.00 0.00 C ATOM 3 C GLY A 1 9.695 18.596 14.737 1.00 0.00 C ATOM 4 O GLY A 1 9.393 17.674 13.980 1.00 0.00 O ATOM 0 H1 GLY A 1 11.850 20.836 13.448 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.148 19.683 14.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.732 19.181 13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.003 20.705 14.929 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.574 20.187 13.311 1.00 0.00 H new ATOM 8 N SER A 2 9.631 18.496 16.061 1.00 0.00 N ATOM 9 CA SER A 2 9.195 17.268 16.715 1.00 0.00 C ATOM 10 C SER A 2 8.110 17.557 17.747 1.00 0.00 C ATOM 11 O SER A 2 7.088 16.874 17.797 1.00 0.00 O ATOM 12 CB SER A 2 10.382 16.574 17.387 1.00 0.00 C ATOM 13 OG SER A 2 9.997 15.330 17.945 1.00 0.00 O ATOM 0 H SER A 2 9.876 19.251 16.702 1.00 0.00 H new ATOM 0 HA SER A 2 8.780 16.608 15.953 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.177 16.418 16.657 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.788 17.216 18.168 1.00 0.00 H new ATOM 0 HG SER A 2 10.774 14.906 18.367 1.00 0.00 H new ATOM 19 N SER A 3 8.340 18.575 18.569 1.00 0.00 N ATOM 20 CA SER A 3 7.385 18.954 19.604 1.00 0.00 C ATOM 21 C SER A 3 6.098 19.492 18.984 1.00 0.00 C ATOM 22 O SER A 3 6.005 19.662 17.769 1.00 0.00 O ATOM 23 CB SER A 3 7.996 20.006 20.531 1.00 0.00 C ATOM 24 OG SER A 3 8.872 19.409 21.473 1.00 0.00 O ATOM 0 H SER A 3 9.180 19.153 18.539 1.00 0.00 H new ATOM 0 HA SER A 3 7.144 18.064 20.185 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.540 20.744 19.941 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.202 20.539 21.055 1.00 0.00 H new ATOM 0 HG SER A 3 9.251 20.102 22.053 1.00 0.00 H new ATOM 30 N GLY A 4 5.108 19.758 19.830 1.00 0.00 N ATOM 31 CA GLY A 4 3.840 20.273 19.348 1.00 0.00 C ATOM 32 C GLY A 4 2.699 19.299 19.563 1.00 0.00 C ATOM 33 O GLY A 4 2.889 18.224 20.131 1.00 0.00 O ATOM 0 H GLY A 4 5.161 19.626 20.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.615 21.210 19.858 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.924 20.500 18.285 1.00 0.00 H new ATOM 37 N SER A 5 1.507 19.675 19.108 1.00 0.00 N ATOM 38 CA SER A 5 0.329 18.829 19.258 1.00 0.00 C ATOM 39 C SER A 5 -0.211 18.403 17.896 1.00 0.00 C ATOM 40 O SER A 5 0.234 18.894 16.858 1.00 0.00 O ATOM 41 CB SER A 5 -0.758 19.565 20.043 1.00 0.00 C ATOM 42 OG SER A 5 -1.760 18.668 20.490 1.00 0.00 O ATOM 0 H SER A 5 1.332 20.560 18.632 1.00 0.00 H new ATOM 0 HA SER A 5 0.622 17.935 19.809 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.312 20.073 20.898 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.208 20.334 19.414 1.00 0.00 H new ATOM 0 HG SER A 5 -2.442 19.163 20.990 1.00 0.00 H new ATOM 48 N SER A 6 -1.175 17.487 17.907 1.00 0.00 N ATOM 49 CA SER A 6 -1.775 16.993 16.674 1.00 0.00 C ATOM 50 C SER A 6 -3.292 17.146 16.708 1.00 0.00 C ATOM 51 O SER A 6 -3.909 17.087 17.771 1.00 0.00 O ATOM 52 CB SER A 6 -1.404 15.524 16.456 1.00 0.00 C ATOM 53 OG SER A 6 -0.003 15.369 16.302 1.00 0.00 O ATOM 0 H SER A 6 -1.557 17.072 18.757 1.00 0.00 H new ATOM 0 HA SER A 6 -1.387 17.586 15.846 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.748 14.929 17.302 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.915 15.144 15.571 1.00 0.00 H new ATOM 0 HG SER A 6 0.208 14.422 16.166 1.00 0.00 H new ATOM 59 N GLY A 7 -3.886 17.345 15.536 1.00 0.00 N ATOM 60 CA GLY A 7 -5.326 17.506 15.452 1.00 0.00 C ATOM 61 C GLY A 7 -5.759 18.198 14.175 1.00 0.00 C ATOM 62 O GLY A 7 -5.746 19.425 14.092 1.00 0.00 O ATOM 0 H GLY A 7 -3.396 17.398 14.643 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.802 16.527 15.510 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.675 18.081 16.310 1.00 0.00 H new ATOM 66 N GLU A 8 -6.143 17.408 13.176 1.00 0.00 N ATOM 67 CA GLU A 8 -6.580 17.954 11.897 1.00 0.00 C ATOM 68 C GLU A 8 -8.072 17.715 11.684 1.00 0.00 C ATOM 69 O GLU A 8 -8.597 16.632 11.944 1.00 0.00 O ATOM 70 CB GLU A 8 -5.783 17.326 10.752 1.00 0.00 C ATOM 71 CG GLU A 8 -5.923 15.815 10.669 1.00 0.00 C ATOM 72 CD GLU A 8 -4.799 15.167 9.882 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.631 15.558 10.084 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.090 14.270 9.065 1.00 0.00 O ATOM 0 H GLU A 8 -6.160 16.389 13.228 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.401 19.029 11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.110 17.765 9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.730 17.579 10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.942 15.400 11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.877 15.567 10.204 1.00 0.00 H new ATOM 81 N PRO A 9 -8.773 18.751 11.199 1.00 0.00 N ATOM 82 CA PRO A 9 -10.214 18.679 10.940 1.00 0.00 C ATOM 83 C PRO A 9 -10.547 17.774 9.759 1.00 0.00 C ATOM 84 O PRO A 9 -9.652 17.246 9.099 1.00 0.00 O ATOM 85 CB PRO A 9 -10.591 20.128 10.626 1.00 0.00 C ATOM 86 CG PRO A 9 -9.332 20.745 10.122 1.00 0.00 C ATOM 87 CD PRO A 9 -8.213 20.071 10.865 1.00 0.00 C ATOM 0 HA PRO A 9 -10.759 18.256 11.784 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.383 20.178 9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.957 20.643 11.514 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.230 20.599 9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.326 21.820 10.300 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.317 19.984 10.250 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.932 20.627 11.760 1.00 0.00 H new ATOM 95 N GLU A 10 -11.839 17.600 9.497 1.00 0.00 N ATOM 96 CA GLU A 10 -12.287 16.758 8.394 1.00 0.00 C ATOM 97 C GLU A 10 -11.701 17.238 7.069 1.00 0.00 C ATOM 98 O GLU A 10 -11.568 18.440 6.835 1.00 0.00 O ATOM 99 CB GLU A 10 -13.816 16.753 8.317 1.00 0.00 C ATOM 100 CG GLU A 10 -14.404 18.056 7.803 1.00 0.00 C ATOM 101 CD GLU A 10 -15.889 17.952 7.515 1.00 0.00 C ATOM 102 OE1 GLU A 10 -16.568 17.147 8.185 1.00 0.00 O ATOM 103 OE2 GLU A 10 -16.372 18.676 6.619 1.00 0.00 O ATOM 0 H GLU A 10 -12.593 18.030 10.033 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.936 15.743 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.136 15.939 7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.221 16.548 9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.235 18.842 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.881 18.353 6.894 1.00 0.00 H new ATOM 110 N LYS A 11 -11.353 16.291 6.206 1.00 0.00 N ATOM 111 CA LYS A 11 -10.782 16.615 4.903 1.00 0.00 C ATOM 112 C LYS A 11 -11.698 16.149 3.776 1.00 0.00 C ATOM 113 O LYS A 11 -11.991 14.959 3.653 1.00 0.00 O ATOM 114 CB LYS A 11 -9.402 15.969 4.754 1.00 0.00 C ATOM 115 CG LYS A 11 -9.363 14.513 5.183 1.00 0.00 C ATOM 116 CD LYS A 11 -7.981 13.911 4.987 1.00 0.00 C ATOM 117 CE LYS A 11 -7.047 14.277 6.131 1.00 0.00 C ATOM 118 NZ LYS A 11 -5.618 14.077 5.765 1.00 0.00 N ATOM 0 H LYS A 11 -11.456 15.292 6.384 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.679 17.698 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.087 16.041 3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.680 16.533 5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.650 14.434 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.094 13.944 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.062 12.826 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.560 14.263 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.208 15.318 6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.287 13.670 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.014 14.337 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.459 13.079 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.382 14.675 4.948 1.00 0.00 H new ATOM 132 N LEU A 12 -12.145 17.093 2.956 1.00 0.00 N ATOM 133 CA LEU A 12 -13.027 16.778 1.837 1.00 0.00 C ATOM 134 C LEU A 12 -12.418 17.239 0.517 1.00 0.00 C ATOM 135 O LEU A 12 -12.234 18.435 0.290 1.00 0.00 O ATOM 136 CB LEU A 12 -14.393 17.436 2.038 1.00 0.00 C ATOM 137 CG LEU A 12 -15.337 16.737 3.019 1.00 0.00 C ATOM 138 CD1 LEU A 12 -16.477 17.662 3.413 1.00 0.00 C ATOM 139 CD2 LEU A 12 -15.877 15.450 2.414 1.00 0.00 C ATOM 0 H LEU A 12 -11.912 18.082 3.044 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.153 15.696 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.235 18.458 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.889 17.500 1.070 1.00 0.00 H new ATOM 0 HG LEU A 12 -14.774 16.484 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.138 17.148 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.073 18.556 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -17.039 17.946 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.546 14.966 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -16.424 15.679 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.048 14.781 2.183 1.00 0.00 H new ATOM 151 N GLY A 13 -12.108 16.282 -0.353 1.00 0.00 N ATOM 152 CA GLY A 13 -11.525 16.611 -1.641 1.00 0.00 C ATOM 153 C GLY A 13 -12.542 17.180 -2.609 1.00 0.00 C ATOM 154 O GLY A 13 -13.039 16.471 -3.484 1.00 0.00 O ATOM 0 H GLY A 13 -12.250 15.285 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.720 17.332 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.078 15.716 -2.073 1.00 0.00 H new ATOM 158 N GLN A 14 -12.853 18.463 -2.452 1.00 0.00 N ATOM 159 CA GLN A 14 -13.820 19.126 -3.319 1.00 0.00 C ATOM 160 C GLN A 14 -13.122 19.809 -4.490 1.00 0.00 C ATOM 161 O GLN A 14 -12.208 20.611 -4.299 1.00 0.00 O ATOM 162 CB GLN A 14 -14.631 20.151 -2.524 1.00 0.00 C ATOM 163 CG GLN A 14 -15.911 20.585 -3.220 1.00 0.00 C ATOM 164 CD GLN A 14 -16.896 19.447 -3.393 1.00 0.00 C ATOM 165 OE1 GLN A 14 -17.306 19.128 -4.510 1.00 0.00 O ATOM 166 NE2 GLN A 14 -17.284 18.825 -2.285 1.00 0.00 N ATOM 0 H GLN A 14 -12.450 19.064 -1.733 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.495 18.368 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.882 19.728 -1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.011 21.029 -2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -16.381 21.382 -2.644 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.666 21.000 -4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.920 19.121 -1.380 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.946 18.051 -2.340 1.00 0.00 H new ATOM 175 N ALA A 15 -13.558 19.486 -5.703 1.00 0.00 N ATOM 176 CA ALA A 15 -12.977 20.070 -6.905 1.00 0.00 C ATOM 177 C ALA A 15 -11.454 19.981 -6.877 1.00 0.00 C ATOM 178 O ALA A 15 -10.759 20.934 -7.233 1.00 0.00 O ATOM 179 CB ALA A 15 -13.419 21.518 -7.055 1.00 0.00 C ATOM 0 H ALA A 15 -14.312 18.822 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.333 19.502 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.977 21.942 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.506 21.561 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.091 22.090 -6.187 1.00 0.00 H new ATOM 185 N LEU A 16 -10.942 18.832 -6.452 1.00 0.00 N ATOM 186 CA LEU A 16 -9.500 18.618 -6.377 1.00 0.00 C ATOM 187 C LEU A 16 -8.777 19.910 -6.008 1.00 0.00 C ATOM 188 O LEU A 16 -7.748 20.247 -6.594 1.00 0.00 O ATOM 189 CB LEU A 16 -8.973 18.088 -7.712 1.00 0.00 C ATOM 190 CG LEU A 16 -9.635 16.814 -8.236 1.00 0.00 C ATOM 191 CD1 LEU A 16 -9.219 16.550 -9.676 1.00 0.00 C ATOM 192 CD2 LEU A 16 -9.281 15.627 -7.352 1.00 0.00 C ATOM 0 H LEU A 16 -11.503 18.034 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.307 17.880 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.091 18.870 -8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.904 17.902 -7.610 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.716 16.952 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.700 15.639 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.522 17.389 -10.302 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.137 16.432 -9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.761 14.729 -7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.200 15.487 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.628 15.814 -6.336 1.00 0.00 H new ATOM 204 N THR A 17 -9.320 20.628 -5.030 1.00 0.00 N ATOM 205 CA THR A 17 -8.727 21.881 -4.581 1.00 0.00 C ATOM 206 C THR A 17 -7.678 21.637 -3.501 1.00 0.00 C ATOM 207 O THR A 17 -7.504 20.511 -3.036 1.00 0.00 O ATOM 208 CB THR A 17 -9.796 22.844 -4.034 1.00 0.00 C ATOM 209 OG1 THR A 17 -10.633 22.164 -3.091 1.00 0.00 O ATOM 210 CG2 THR A 17 -10.647 23.406 -5.163 1.00 0.00 C ATOM 0 H THR A 17 -10.170 20.363 -4.533 1.00 0.00 H new ATOM 0 HA THR A 17 -8.251 22.335 -5.450 1.00 0.00 H new ATOM 0 HB THR A 17 -9.288 23.671 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.406 21.782 -3.556 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.395 24.084 -4.752 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.011 23.949 -5.862 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.145 22.589 -5.685 1.00 0.00 H new ATOM 218 N GLU A 18 -6.984 22.699 -3.107 1.00 0.00 N ATOM 219 CA GLU A 18 -5.952 22.598 -2.081 1.00 0.00 C ATOM 220 C GLU A 18 -6.468 23.107 -0.738 1.00 0.00 C ATOM 221 O GLU A 18 -6.284 24.274 -0.391 1.00 0.00 O ATOM 222 CB GLU A 18 -4.710 23.391 -2.495 1.00 0.00 C ATOM 223 CG GLU A 18 -3.640 23.452 -1.419 1.00 0.00 C ATOM 224 CD GLU A 18 -2.828 22.175 -1.330 1.00 0.00 C ATOM 225 OE1 GLU A 18 -3.436 21.084 -1.325 1.00 0.00 O ATOM 226 OE2 GLU A 18 -1.584 22.267 -1.263 1.00 0.00 O ATOM 0 H GLU A 18 -7.117 23.638 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.685 21.547 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.285 22.942 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.008 24.406 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.972 24.289 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.110 23.647 -0.455 1.00 0.00 H new ATOM 233 N VAL A 19 -7.117 22.223 0.013 1.00 0.00 N ATOM 234 CA VAL A 19 -7.660 22.581 1.318 1.00 0.00 C ATOM 235 C VAL A 19 -6.569 23.112 2.241 1.00 0.00 C ATOM 236 O VAL A 19 -5.379 22.940 1.976 1.00 0.00 O ATOM 237 CB VAL A 19 -8.344 21.376 1.991 1.00 0.00 C ATOM 238 CG1 VAL A 19 -9.000 21.795 3.298 1.00 0.00 C ATOM 239 CG2 VAL A 19 -9.362 20.749 1.051 1.00 0.00 C ATOM 0 H VAL A 19 -7.280 21.254 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.401 23.363 1.149 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.584 20.629 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.478 20.930 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.243 22.194 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.750 22.561 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.836 19.899 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.121 21.487 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.860 20.410 0.145 1.00 0.00 H new ATOM 249 N TYR A 20 -6.982 23.758 3.325 1.00 0.00 N ATOM 250 CA TYR A 20 -6.039 24.317 4.287 1.00 0.00 C ATOM 251 C TYR A 20 -5.593 23.258 5.291 1.00 0.00 C ATOM 252 O TYR A 20 -5.005 23.575 6.324 1.00 0.00 O ATOM 253 CB TYR A 20 -6.671 25.499 5.024 1.00 0.00 C ATOM 254 CG TYR A 20 -8.087 25.239 5.485 1.00 0.00 C ATOM 255 CD1 TYR A 20 -8.375 24.195 6.355 1.00 0.00 C ATOM 256 CD2 TYR A 20 -9.138 26.037 5.049 1.00 0.00 C ATOM 257 CE1 TYR A 20 -9.667 23.953 6.778 1.00 0.00 C ATOM 258 CE2 TYR A 20 -10.433 25.803 5.468 1.00 0.00 C ATOM 259 CZ TYR A 20 -10.693 24.760 6.333 1.00 0.00 C ATOM 260 OH TYR A 20 -11.983 24.523 6.751 1.00 0.00 O ATOM 0 H TYR A 20 -7.963 23.908 3.560 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.163 24.665 3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.056 25.747 5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.666 26.370 4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.574 23.561 6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.939 26.854 4.371 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.873 23.136 7.454 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.238 26.433 5.120 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.584 25.182 6.346 1.00 0.00 H new ATOM 270 N ALA A 21 -5.877 21.998 4.977 1.00 0.00 N ATOM 271 CA ALA A 21 -5.503 20.892 5.849 1.00 0.00 C ATOM 272 C ALA A 21 -4.028 20.540 5.689 1.00 0.00 C ATOM 273 O ALA A 21 -3.665 19.368 5.589 1.00 0.00 O ATOM 274 CB ALA A 21 -6.372 19.675 5.560 1.00 0.00 C ATOM 0 H ALA A 21 -6.364 21.718 4.126 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.665 21.205 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.082 18.856 6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.419 19.926 5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.238 19.371 4.522 1.00 0.00 H new ATOM 280 N LYS A 22 -3.180 21.564 5.662 1.00 0.00 N ATOM 281 CA LYS A 22 -1.744 21.364 5.514 1.00 0.00 C ATOM 282 C LYS A 22 -0.996 21.858 6.748 1.00 0.00 C ATOM 283 O LYS A 22 -0.624 23.028 6.833 1.00 0.00 O ATOM 284 CB LYS A 22 -1.233 22.093 4.270 1.00 0.00 C ATOM 285 CG LYS A 22 -1.658 21.439 2.965 1.00 0.00 C ATOM 286 CD LYS A 22 -0.965 20.103 2.758 1.00 0.00 C ATOM 287 CE LYS A 22 -0.791 19.789 1.280 1.00 0.00 C ATOM 288 NZ LYS A 22 0.454 20.390 0.728 1.00 0.00 N ATOM 0 H LYS A 22 -3.464 22.541 5.741 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.561 20.295 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.595 23.121 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.145 22.138 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.738 21.293 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.426 22.103 2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.010 20.118 3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.546 19.313 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.766 18.708 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.652 20.163 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.536 20.153 -0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.420 21.423 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.278 20.014 1.240 1.00 0.00 H new ATOM 302 N ALA A 23 -0.778 20.959 7.702 1.00 0.00 N ATOM 303 CA ALA A 23 -0.072 21.304 8.929 1.00 0.00 C ATOM 304 C ALA A 23 1.438 21.200 8.741 1.00 0.00 C ATOM 305 O ALA A 23 2.056 20.212 9.135 1.00 0.00 O ATOM 306 CB ALA A 23 -0.526 20.405 10.070 1.00 0.00 C ATOM 0 H ALA A 23 -1.080 19.986 7.648 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.311 22.338 9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.010 20.674 10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.597 20.531 10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.316 19.365 9.819 1.00 0.00 H new ATOM 312 N ASN A 24 2.026 22.227 8.136 1.00 0.00 N ATOM 313 CA ASN A 24 3.464 22.251 7.894 1.00 0.00 C ATOM 314 C ASN A 24 3.877 21.122 6.955 1.00 0.00 C ATOM 315 O ASN A 24 4.892 20.460 7.172 1.00 0.00 O ATOM 316 CB ASN A 24 4.227 22.134 9.216 1.00 0.00 C ATOM 317 CG ASN A 24 4.478 23.484 9.860 1.00 0.00 C ATOM 318 OD1 ASN A 24 4.057 23.733 10.990 1.00 0.00 O ATOM 319 ND2 ASN A 24 5.166 24.363 9.141 1.00 0.00 N ATOM 0 H ASN A 24 1.529 23.054 7.804 1.00 0.00 H new ATOM 0 HA ASN A 24 3.711 23.202 7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.662 21.506 9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.180 21.636 9.039 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.365 25.288 9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.495 24.113 8.209 1.00 0.00 H new ATOM 326 N SER A 25 3.082 20.908 5.911 1.00 0.00 N ATOM 327 CA SER A 25 3.363 19.856 4.940 1.00 0.00 C ATOM 328 C SER A 25 3.446 18.494 5.623 1.00 0.00 C ATOM 329 O SER A 25 4.350 17.705 5.350 1.00 0.00 O ATOM 330 CB SER A 25 4.670 20.151 4.202 1.00 0.00 C ATOM 331 OG SER A 25 4.439 20.955 3.058 1.00 0.00 O ATOM 0 H SER A 25 2.239 21.448 5.716 1.00 0.00 H new ATOM 0 HA SER A 25 2.545 19.832 4.220 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.364 20.658 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.142 19.215 3.903 1.00 0.00 H new ATOM 0 HG SER A 25 5.290 21.131 2.605 1.00 0.00 H new ATOM 337 N PHE A 26 2.496 18.226 6.512 1.00 0.00 N ATOM 338 CA PHE A 26 2.461 16.960 7.235 1.00 0.00 C ATOM 339 C PHE A 26 1.119 16.260 7.043 1.00 0.00 C ATOM 340 O PHE A 26 0.078 16.761 7.470 1.00 0.00 O ATOM 341 CB PHE A 26 2.720 17.193 8.725 1.00 0.00 C ATOM 342 CG PHE A 26 3.216 15.972 9.446 1.00 0.00 C ATOM 343 CD1 PHE A 26 4.352 15.309 9.011 1.00 0.00 C ATOM 344 CD2 PHE A 26 2.546 15.488 10.558 1.00 0.00 C ATOM 345 CE1 PHE A 26 4.810 14.185 9.672 1.00 0.00 C ATOM 346 CE2 PHE A 26 3.000 14.364 11.223 1.00 0.00 C ATOM 347 CZ PHE A 26 4.135 13.713 10.779 1.00 0.00 C ATOM 0 H PHE A 26 1.740 18.868 6.749 1.00 0.00 H new ATOM 0 HA PHE A 26 3.245 16.318 6.833 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.451 17.994 8.838 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.799 17.534 9.197 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.885 15.674 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.659 15.994 10.909 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.696 13.676 9.322 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.468 13.996 12.088 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.493 12.836 11.298 1.00 0.00 H new ATOM 357 N THR A 27 1.151 15.099 6.397 1.00 0.00 N ATOM 358 CA THR A 27 -0.061 14.330 6.146 1.00 0.00 C ATOM 359 C THR A 27 0.131 12.863 6.512 1.00 0.00 C ATOM 360 O THR A 27 1.167 12.269 6.211 1.00 0.00 O ATOM 361 CB THR A 27 -0.492 14.427 4.671 1.00 0.00 C ATOM 362 OG1 THR A 27 -0.830 15.781 4.346 1.00 0.00 O ATOM 363 CG2 THR A 27 -1.683 13.521 4.395 1.00 0.00 C ATOM 0 H THR A 27 2.004 14.670 6.038 1.00 0.00 H new ATOM 0 HA THR A 27 -0.842 14.758 6.774 1.00 0.00 H new ATOM 0 HB THR A 27 0.343 14.103 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.906 15.875 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.970 13.606 3.347 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.413 12.488 4.615 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.521 13.819 5.026 1.00 0.00 H new ATOM 371 N VAL A 28 -0.871 12.283 7.165 1.00 0.00 N ATOM 372 CA VAL A 28 -0.813 10.884 7.570 1.00 0.00 C ATOM 373 C VAL A 28 -2.012 10.107 7.041 1.00 0.00 C ATOM 374 O VAL A 28 -3.150 10.353 7.442 1.00 0.00 O ATOM 375 CB VAL A 28 -0.761 10.747 9.103 1.00 0.00 C ATOM 376 CG1 VAL A 28 -0.684 9.282 9.505 1.00 0.00 C ATOM 377 CG2 VAL A 28 0.417 11.525 9.669 1.00 0.00 C ATOM 0 H VAL A 28 -1.734 12.761 7.425 1.00 0.00 H new ATOM 0 HA VAL A 28 0.100 10.469 7.144 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.677 11.167 9.519 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.648 9.204 10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.563 8.756 9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.214 8.835 9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.437 11.416 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.345 11.138 9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.314 12.579 9.412 1.00 0.00 H new ATOM 387 N SER A 29 -1.751 9.168 6.137 1.00 0.00 N ATOM 388 CA SER A 29 -2.810 8.357 5.549 1.00 0.00 C ATOM 389 C SER A 29 -2.543 6.872 5.773 1.00 0.00 C ATOM 390 O SER A 29 -1.425 6.472 6.097 1.00 0.00 O ATOM 391 CB SER A 29 -2.932 8.645 4.052 1.00 0.00 C ATOM 392 OG SER A 29 -4.232 8.340 3.577 1.00 0.00 O ATOM 0 H SER A 29 -0.815 8.950 5.796 1.00 0.00 H new ATOM 0 HA SER A 29 -3.748 8.618 6.038 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.709 9.695 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.195 8.058 3.504 1.00 0.00 H new ATOM 0 HG SER A 29 -4.284 8.535 2.618 1.00 0.00 H new ATOM 398 N SER A 30 -3.579 6.057 5.596 1.00 0.00 N ATOM 399 CA SER A 30 -3.460 4.617 5.782 1.00 0.00 C ATOM 400 C SER A 30 -3.803 3.872 4.495 1.00 0.00 C ATOM 401 O SER A 30 -4.527 4.386 3.641 1.00 0.00 O ATOM 402 CB SER A 30 -4.376 4.149 6.914 1.00 0.00 C ATOM 403 OG SER A 30 -5.694 4.640 6.740 1.00 0.00 O ATOM 0 H SER A 30 -4.510 6.371 5.324 1.00 0.00 H new ATOM 0 HA SER A 30 -2.426 4.395 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.392 3.060 6.946 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.981 4.491 7.871 1.00 0.00 H new ATOM 0 HG SER A 30 -6.260 4.325 7.476 1.00 0.00 H new ATOM 409 N VAL A 31 -3.278 2.658 4.363 1.00 0.00 N ATOM 410 CA VAL A 31 -3.528 1.841 3.181 1.00 0.00 C ATOM 411 C VAL A 31 -4.070 0.469 3.566 1.00 0.00 C ATOM 412 O VAL A 31 -3.453 -0.256 4.346 1.00 0.00 O ATOM 413 CB VAL A 31 -2.250 1.660 2.343 1.00 0.00 C ATOM 414 CG1 VAL A 31 -2.485 0.664 1.217 1.00 0.00 C ATOM 415 CG2 VAL A 31 -1.779 2.998 1.792 1.00 0.00 C ATOM 0 H VAL A 31 -2.677 2.218 5.060 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.272 2.368 2.584 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.467 1.263 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.570 0.549 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.771 -0.300 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.283 1.028 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.874 2.850 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.558 3.426 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.567 3.677 2.618 1.00 0.00 H new ATOM 425 N ALA A 32 -5.227 0.120 3.014 1.00 0.00 N ATOM 426 CA ALA A 32 -5.851 -1.167 3.297 1.00 0.00 C ATOM 427 C ALA A 32 -4.907 -2.319 2.969 1.00 0.00 C ATOM 428 O ALA A 32 -4.581 -2.554 1.806 1.00 0.00 O ATOM 429 CB ALA A 32 -7.150 -1.307 2.517 1.00 0.00 C ATOM 0 H ALA A 32 -5.751 0.710 2.368 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.075 -1.208 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.605 -2.273 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.835 -0.509 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.942 -1.240 1.449 1.00 0.00 H new ATOM 435 N ALA A 33 -4.471 -3.034 4.002 1.00 0.00 N ATOM 436 CA ALA A 33 -3.566 -4.161 3.823 1.00 0.00 C ATOM 437 C ALA A 33 -3.742 -5.189 4.936 1.00 0.00 C ATOM 438 O ALA A 33 -3.970 -4.848 6.097 1.00 0.00 O ATOM 439 CB ALA A 33 -2.125 -3.677 3.770 1.00 0.00 C ATOM 0 H ALA A 33 -4.731 -2.852 4.971 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.810 -4.645 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.459 -4.530 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.003 -2.987 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.878 -3.167 4.701 1.00 0.00 H new ATOM 445 N PRO A 34 -3.634 -6.476 4.576 1.00 0.00 N ATOM 446 CA PRO A 34 -3.777 -7.580 5.531 1.00 0.00 C ATOM 447 C PRO A 34 -2.612 -7.654 6.511 1.00 0.00 C ATOM 448 O PRO A 34 -1.792 -6.738 6.585 1.00 0.00 O ATOM 449 CB PRO A 34 -3.804 -8.821 4.638 1.00 0.00 C ATOM 450 CG PRO A 34 -3.071 -8.417 3.406 1.00 0.00 C ATOM 451 CD PRO A 34 -3.362 -6.955 3.211 1.00 0.00 C ATOM 0 HA PRO A 34 -4.665 -7.467 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.323 -9.669 5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.826 -9.122 4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.000 -8.591 3.514 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.403 -8.999 2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.516 -6.433 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.217 -6.800 2.553 1.00 0.00 H new ATOM 459 N SER A 35 -2.542 -8.749 7.260 1.00 0.00 N ATOM 460 CA SER A 35 -1.478 -8.940 8.238 1.00 0.00 C ATOM 461 C SER A 35 -0.825 -10.309 8.069 1.00 0.00 C ATOM 462 O SER A 35 0.369 -10.474 8.321 1.00 0.00 O ATOM 463 CB SER A 35 -2.029 -8.798 9.658 1.00 0.00 C ATOM 464 OG SER A 35 -2.988 -9.803 9.936 1.00 0.00 O ATOM 0 H SER A 35 -3.210 -9.518 7.208 1.00 0.00 H new ATOM 0 HA SER A 35 -0.723 -8.172 8.071 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.212 -8.862 10.377 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.483 -7.814 9.779 1.00 0.00 H new ATOM 0 HG SER A 35 -3.323 -9.691 10.850 1.00 0.00 H new ATOM 470 N TRP A 36 -1.615 -11.286 7.641 1.00 0.00 N ATOM 471 CA TRP A 36 -1.116 -12.641 7.438 1.00 0.00 C ATOM 472 C TRP A 36 0.123 -12.636 6.548 1.00 0.00 C ATOM 473 O TRP A 36 0.921 -13.574 6.574 1.00 0.00 O ATOM 474 CB TRP A 36 -2.202 -13.519 6.816 1.00 0.00 C ATOM 475 CG TRP A 36 -2.799 -12.936 5.571 1.00 0.00 C ATOM 476 CD1 TRP A 36 -3.834 -12.048 5.496 1.00 0.00 C ATOM 477 CD2 TRP A 36 -2.397 -13.201 4.222 1.00 0.00 C ATOM 478 NE1 TRP A 36 -4.099 -11.745 4.184 1.00 0.00 N ATOM 479 CE2 TRP A 36 -3.232 -12.439 3.382 1.00 0.00 C ATOM 480 CE3 TRP A 36 -1.413 -14.006 3.644 1.00 0.00 C ATOM 481 CZ2 TRP A 36 -3.110 -12.461 1.995 1.00 0.00 C ATOM 482 CZ3 TRP A 36 -1.294 -14.027 2.268 1.00 0.00 C ATOM 483 CH2 TRP A 36 -2.138 -13.258 1.455 1.00 0.00 C ATOM 0 H TRP A 36 -2.605 -11.165 7.427 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.841 -13.050 8.410 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.780 -14.497 6.584 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.993 -13.679 7.549 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.366 -11.644 6.345 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.824 -11.106 3.859 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.757 -14.601 4.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.760 -11.869 1.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.537 -14.647 1.810 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.019 -13.295 0.382 1.00 0.00 H new ATOM 494 N LEU A 37 0.277 -11.578 5.762 1.00 0.00 N ATOM 495 CA LEU A 37 1.419 -11.451 4.863 1.00 0.00 C ATOM 496 C LEU A 37 2.377 -10.367 5.349 1.00 0.00 C ATOM 497 O LEU A 37 3.037 -9.704 4.549 1.00 0.00 O ATOM 498 CB LEU A 37 0.944 -11.129 3.445 1.00 0.00 C ATOM 499 CG LEU A 37 -0.007 -9.940 3.309 1.00 0.00 C ATOM 500 CD1 LEU A 37 0.772 -8.633 3.287 1.00 0.00 C ATOM 501 CD2 LEU A 37 -0.858 -10.078 2.054 1.00 0.00 C ATOM 0 H LEU A 37 -0.375 -10.794 5.728 1.00 0.00 H new ATOM 0 HA LEU A 37 1.950 -12.403 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.820 -10.941 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.450 -12.012 3.040 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.670 -9.929 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.079 -7.798 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.336 -8.530 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.460 -8.634 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.529 -9.223 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.211 -10.115 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.444 -10.995 2.111 1.00 0.00 H new ATOM 513 N HIS A 38 2.449 -10.196 6.665 1.00 0.00 N ATOM 514 CA HIS A 38 3.329 -9.195 7.258 1.00 0.00 C ATOM 515 C HIS A 38 4.790 -9.618 7.140 1.00 0.00 C ATOM 516 O HIS A 38 5.694 -8.782 7.179 1.00 0.00 O ATOM 517 CB HIS A 38 2.966 -8.974 8.727 1.00 0.00 C ATOM 518 CG HIS A 38 1.943 -7.902 8.936 1.00 0.00 C ATOM 519 ND1 HIS A 38 1.416 -7.593 10.173 1.00 0.00 N ATOM 520 CD2 HIS A 38 1.347 -7.061 8.057 1.00 0.00 C ATOM 521 CE1 HIS A 38 0.541 -6.613 10.046 1.00 0.00 C ATOM 522 NE2 HIS A 38 0.482 -6.271 8.772 1.00 0.00 N ATOM 0 H HIS A 38 1.909 -10.737 7.341 1.00 0.00 H new ATOM 0 HA HIS A 38 3.195 -8.260 6.714 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.591 -9.909 9.145 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.869 -8.716 9.281 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.520 -7.020 6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.029 -6.167 10.847 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.111 -5.538 8.382 1.00 0.00 H new ATOM 530 N ARG A 39 5.015 -10.920 6.997 1.00 0.00 N ATOM 531 CA ARG A 39 6.365 -11.453 6.876 1.00 0.00 C ATOM 532 C ARG A 39 6.856 -11.368 5.433 1.00 0.00 C ATOM 533 O ARG A 39 8.053 -11.225 5.180 1.00 0.00 O ATOM 534 CB ARG A 39 6.409 -12.906 7.355 1.00 0.00 C ATOM 535 CG ARG A 39 7.561 -13.706 6.771 1.00 0.00 C ATOM 536 CD ARG A 39 8.899 -13.243 7.326 1.00 0.00 C ATOM 537 NE ARG A 39 9.265 -13.964 8.543 1.00 0.00 N ATOM 538 CZ ARG A 39 10.394 -13.753 9.210 1.00 0.00 C ATOM 539 NH1 ARG A 39 11.263 -12.848 8.781 1.00 0.00 N ATOM 540 NH2 ARG A 39 10.656 -14.449 10.309 1.00 0.00 N ATOM 0 H ARG A 39 4.279 -11.625 6.962 1.00 0.00 H new ATOM 0 HA ARG A 39 7.023 -10.851 7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.484 -12.919 8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.470 -13.394 7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.420 -14.764 6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.562 -13.606 5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.673 -13.387 6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.854 -12.175 7.537 1.00 0.00 H new ATOM 0 HE ARG A 39 8.618 -14.668 8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.065 -12.311 7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.129 -12.688 9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.990 -15.146 10.642 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.523 -14.287 10.821 1.00 0.00 H new ATOM 554 N PHE A 40 5.925 -11.459 4.490 1.00 0.00 N ATOM 555 CA PHE A 40 6.261 -11.393 3.072 1.00 0.00 C ATOM 556 C PHE A 40 6.340 -9.945 2.598 1.00 0.00 C ATOM 557 O PHE A 40 7.243 -9.575 1.848 1.00 0.00 O ATOM 558 CB PHE A 40 5.226 -12.158 2.245 1.00 0.00 C ATOM 559 CG PHE A 40 5.268 -13.644 2.456 1.00 0.00 C ATOM 560 CD1 PHE A 40 6.167 -14.432 1.755 1.00 0.00 C ATOM 561 CD2 PHE A 40 4.409 -14.254 3.357 1.00 0.00 C ATOM 562 CE1 PHE A 40 6.208 -15.800 1.947 1.00 0.00 C ATOM 563 CE2 PHE A 40 4.446 -15.622 3.553 1.00 0.00 C ATOM 564 CZ PHE A 40 5.347 -16.395 2.848 1.00 0.00 C ATOM 0 H PHE A 40 4.930 -11.579 4.682 1.00 0.00 H new ATOM 0 HA PHE A 40 7.239 -11.855 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.230 -11.792 2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.388 -11.945 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.844 -13.972 1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.703 -13.654 3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.912 -16.403 1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.771 -16.086 4.257 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.378 -17.464 3.001 1.00 0.00 H new ATOM 574 N ILE A 41 5.387 -9.131 3.041 1.00 0.00 N ATOM 575 CA ILE A 41 5.349 -7.724 2.663 1.00 0.00 C ATOM 576 C ILE A 41 6.628 -7.007 3.083 1.00 0.00 C ATOM 577 O ILE A 41 7.029 -6.021 2.465 1.00 0.00 O ATOM 578 CB ILE A 41 4.141 -7.005 3.291 1.00 0.00 C ATOM 579 CG1 ILE A 41 3.746 -5.792 2.447 1.00 0.00 C ATOM 580 CG2 ILE A 41 4.457 -6.584 4.718 1.00 0.00 C ATOM 581 CD1 ILE A 41 2.358 -5.272 2.749 1.00 0.00 C ATOM 0 H ILE A 41 4.632 -9.422 3.662 1.00 0.00 H new ATOM 0 HA ILE A 41 5.257 -7.691 1.577 1.00 0.00 H new ATOM 0 HB ILE A 41 3.299 -7.697 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.469 -4.993 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.803 -6.059 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.593 -6.077 5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.694 -7.466 5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.311 -5.907 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.145 -4.412 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.626 -6.056 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.301 -4.973 3.796 1.00 0.00 H new ATOM 593 N ILE A 42 7.263 -7.510 4.136 1.00 0.00 N ATOM 594 CA ILE A 42 8.498 -6.919 4.636 1.00 0.00 C ATOM 595 C ILE A 42 9.716 -7.520 3.943 1.00 0.00 C ATOM 596 O ILE A 42 10.567 -6.800 3.423 1.00 0.00 O ATOM 597 CB ILE A 42 8.640 -7.113 6.157 1.00 0.00 C ATOM 598 CG1 ILE A 42 7.513 -6.382 6.893 1.00 0.00 C ATOM 599 CG2 ILE A 42 9.997 -6.616 6.631 1.00 0.00 C ATOM 600 CD1 ILE A 42 7.418 -6.741 8.359 1.00 0.00 C ATOM 0 H ILE A 42 6.943 -8.325 4.659 1.00 0.00 H new ATOM 0 HA ILE A 42 8.448 -5.852 4.417 1.00 0.00 H new ATOM 0 HB ILE A 42 8.566 -8.177 6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.666 -5.307 6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.564 -6.612 6.408 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.081 -6.760 7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.786 -7.175 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.098 -5.556 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.599 -6.187 8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.234 -7.811 8.460 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.353 -6.485 8.858 1.00 0.00 H new ATOM 612 N GLY A 43 9.792 -8.848 3.939 1.00 0.00 N ATOM 613 CA GLY A 43 10.908 -9.525 3.306 1.00 0.00 C ATOM 614 C GLY A 43 11.804 -10.227 4.307 1.00 0.00 C ATOM 615 O GLY A 43 12.091 -9.692 5.377 1.00 0.00 O ATOM 0 H GLY A 43 9.100 -9.466 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.528 -10.254 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.496 -8.801 2.742 1.00 0.00 H new ATOM 619 N LYS A 44 12.246 -11.431 3.960 1.00 0.00 N ATOM 620 CA LYS A 44 13.114 -12.210 4.835 1.00 0.00 C ATOM 621 C LYS A 44 14.211 -11.333 5.433 1.00 0.00 C ATOM 622 O LYS A 44 14.417 -11.320 6.646 1.00 0.00 O ATOM 623 CB LYS A 44 13.741 -13.373 4.063 1.00 0.00 C ATOM 624 CG LYS A 44 14.043 -14.584 4.928 1.00 0.00 C ATOM 625 CD LYS A 44 15.179 -15.412 4.351 1.00 0.00 C ATOM 626 CE LYS A 44 14.676 -16.399 3.308 1.00 0.00 C ATOM 627 NZ LYS A 44 13.835 -17.467 3.916 1.00 0.00 N ATOM 0 H LYS A 44 12.017 -11.889 3.078 1.00 0.00 H new ATOM 0 HA LYS A 44 12.506 -12.608 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.067 -13.670 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.664 -13.032 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.304 -14.257 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.149 -15.202 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.920 -14.751 3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.680 -15.953 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.097 -15.866 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.526 -16.852 2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.820 -18.297 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.231 -17.738 4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.865 -17.114 4.046 1.00 0.00 H new ATOM 641 N LYS A 45 14.910 -10.601 4.573 1.00 0.00 N ATOM 642 CA LYS A 45 15.984 -9.718 5.016 1.00 0.00 C ATOM 643 C LYS A 45 15.622 -8.256 4.774 1.00 0.00 C ATOM 644 O LYS A 45 16.444 -7.472 4.304 1.00 0.00 O ATOM 645 CB LYS A 45 17.285 -10.060 4.286 1.00 0.00 C ATOM 646 CG LYS A 45 18.529 -9.542 4.988 1.00 0.00 C ATOM 647 CD LYS A 45 19.797 -10.066 4.333 1.00 0.00 C ATOM 648 CE LYS A 45 20.176 -11.437 4.869 1.00 0.00 C ATOM 649 NZ LYS A 45 20.883 -11.344 6.177 1.00 0.00 N ATOM 0 H LYS A 45 14.753 -10.601 3.565 1.00 0.00 H new ATOM 0 HA LYS A 45 16.125 -9.866 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.360 -11.142 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 45 17.247 -9.645 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 45 18.532 -8.452 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 45 18.509 -9.842 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.653 -10.123 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 45 20.614 -9.367 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 45 19.278 -12.043 4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 45 20.814 -11.946 4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 21.125 -12.299 6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.754 -10.787 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.265 -10.881 6.874 1.00 0.00 H new ATOM 663 N GLY A 46 14.383 -7.897 5.101 1.00 0.00 N ATOM 664 CA GLY A 46 13.935 -6.529 4.913 1.00 0.00 C ATOM 665 C GLY A 46 14.521 -5.892 3.668 1.00 0.00 C ATOM 666 O GLY A 46 15.597 -5.299 3.715 1.00 0.00 O ATOM 0 H GLY A 46 13.683 -8.528 5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.847 -6.512 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.212 -5.936 5.785 1.00 0.00 H new ATOM 670 N GLN A 47 13.810 -6.017 2.551 1.00 0.00 N ATOM 671 CA GLN A 47 14.268 -5.451 1.288 1.00 0.00 C ATOM 672 C GLN A 47 13.176 -4.603 0.645 1.00 0.00 C ATOM 673 O GLN A 47 13.397 -3.440 0.310 1.00 0.00 O ATOM 674 CB GLN A 47 14.695 -6.566 0.331 1.00 0.00 C ATOM 675 CG GLN A 47 16.160 -6.951 0.461 1.00 0.00 C ATOM 676 CD GLN A 47 16.718 -7.558 -0.811 1.00 0.00 C ATOM 677 OE1 GLN A 47 16.032 -8.309 -1.506 1.00 0.00 O ATOM 678 NE2 GLN A 47 17.968 -7.239 -1.122 1.00 0.00 N ATOM 0 H GLN A 47 12.916 -6.505 2.496 1.00 0.00 H new ATOM 0 HA GLN A 47 15.126 -4.811 1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 47 14.079 -7.446 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.501 -6.248 -0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.742 -6.068 0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 47 16.274 -7.662 1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.500 -6.613 -0.518 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.397 -7.620 -1.966 1.00 0.00 H new ATOM 687 N ASN A 48 11.997 -5.193 0.476 1.00 0.00 N ATOM 688 CA ASN A 48 10.870 -4.491 -0.128 1.00 0.00 C ATOM 689 C ASN A 48 10.614 -3.164 0.578 1.00 0.00 C ATOM 690 O ASN A 48 10.259 -2.168 -0.054 1.00 0.00 O ATOM 691 CB ASN A 48 9.613 -5.361 -0.075 1.00 0.00 C ATOM 692 CG ASN A 48 9.842 -6.744 -0.655 1.00 0.00 C ATOM 693 OD1 ASN A 48 9.874 -6.921 -1.873 1.00 0.00 O ATOM 694 ND2 ASN A 48 10.001 -7.731 0.217 1.00 0.00 N ATOM 0 H ASN A 48 11.797 -6.155 0.749 1.00 0.00 H new ATOM 0 HA ASN A 48 11.118 -4.286 -1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.282 -5.454 0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.810 -4.868 -0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.157 -8.683 -0.113 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.967 -7.538 1.218 1.00 0.00 H new ATOM 701 N LEU A 49 10.796 -3.156 1.894 1.00 0.00 N ATOM 702 CA LEU A 49 10.586 -1.951 2.689 1.00 0.00 C ATOM 703 C LEU A 49 11.807 -1.039 2.628 1.00 0.00 C ATOM 704 O LEU A 49 11.711 0.117 2.216 1.00 0.00 O ATOM 705 CB LEU A 49 10.282 -2.321 4.142 1.00 0.00 C ATOM 706 CG LEU A 49 8.839 -2.728 4.444 1.00 0.00 C ATOM 707 CD1 LEU A 49 8.751 -3.409 5.801 1.00 0.00 C ATOM 708 CD2 LEU A 49 7.920 -1.517 4.391 1.00 0.00 C ATOM 0 H LEU A 49 11.089 -3.971 2.433 1.00 0.00 H new ATOM 0 HA LEU A 49 9.734 -1.414 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.938 -3.142 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.538 -1.470 4.774 1.00 0.00 H new ATOM 0 HG LEU A 49 8.514 -3.437 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.717 -3.692 6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.378 -4.301 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.095 -2.723 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.898 -1.826 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.242 -0.783 5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.961 -1.072 3.397 1.00 0.00 H new ATOM 720 N ALA A 50 12.954 -1.566 3.042 1.00 0.00 N ATOM 721 CA ALA A 50 14.194 -0.801 3.031 1.00 0.00 C ATOM 722 C ALA A 50 14.359 -0.042 1.718 1.00 0.00 C ATOM 723 O ALA A 50 14.737 1.129 1.709 1.00 0.00 O ATOM 724 CB ALA A 50 15.384 -1.720 3.265 1.00 0.00 C ATOM 0 H ALA A 50 13.050 -2.520 3.389 1.00 0.00 H new ATOM 0 HA ALA A 50 14.149 -0.071 3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.303 -1.135 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.279 -2.213 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.423 -2.472 2.477 1.00 0.00 H new ATOM 730 N LYS A 51 14.076 -0.718 0.610 1.00 0.00 N ATOM 731 CA LYS A 51 14.192 -0.108 -0.709 1.00 0.00 C ATOM 732 C LYS A 51 13.286 1.113 -0.826 1.00 0.00 C ATOM 733 O LYS A 51 13.753 2.219 -1.103 1.00 0.00 O ATOM 734 CB LYS A 51 13.838 -1.125 -1.797 1.00 0.00 C ATOM 735 CG LYS A 51 14.579 -0.902 -3.103 1.00 0.00 C ATOM 736 CD LYS A 51 14.051 0.315 -3.843 1.00 0.00 C ATOM 737 CE LYS A 51 14.908 0.646 -5.056 1.00 0.00 C ATOM 738 NZ LYS A 51 14.277 1.687 -5.913 1.00 0.00 N ATOM 0 H LYS A 51 13.764 -1.689 0.599 1.00 0.00 H new ATOM 0 HA LYS A 51 15.225 0.214 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.058 -2.128 -1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.765 -1.083 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.642 -0.773 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.479 -1.785 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.025 0.132 -4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.028 1.171 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.887 0.992 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.071 -0.258 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.891 1.885 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.354 1.347 -6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.144 2.558 -5.360 1.00 0.00 H new ATOM 752 N ILE A 52 11.991 0.907 -0.612 1.00 0.00 N ATOM 753 CA ILE A 52 11.022 1.992 -0.691 1.00 0.00 C ATOM 754 C ILE A 52 11.471 3.192 0.136 1.00 0.00 C ATOM 755 O ILE A 52 11.645 4.292 -0.389 1.00 0.00 O ATOM 756 CB ILE A 52 9.632 1.541 -0.205 1.00 0.00 C ATOM 757 CG1 ILE A 52 9.084 0.436 -1.111 1.00 0.00 C ATOM 758 CG2 ILE A 52 8.675 2.723 -0.167 1.00 0.00 C ATOM 759 CD1 ILE A 52 7.894 -0.291 -0.527 1.00 0.00 C ATOM 0 H ILE A 52 11.589 -0.002 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 52 10.956 2.280 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 52 9.729 1.143 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.799 0.871 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.877 -0.285 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.697 2.388 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.060 3.481 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.581 3.147 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.559 -1.060 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.179 -0.756 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.084 0.418 -0.353 1.00 0.00 H new ATOM 771 N THR A 53 11.661 2.973 1.433 1.00 0.00 N ATOM 772 CA THR A 53 12.092 4.035 2.333 1.00 0.00 C ATOM 773 C THR A 53 13.377 4.688 1.838 1.00 0.00 C ATOM 774 O THR A 53 13.599 5.880 2.047 1.00 0.00 O ATOM 775 CB THR A 53 12.316 3.505 3.762 1.00 0.00 C ATOM 776 OG1 THR A 53 12.714 4.576 4.625 1.00 0.00 O ATOM 777 CG2 THR A 53 13.379 2.417 3.774 1.00 0.00 C ATOM 0 H THR A 53 11.523 2.069 1.884 1.00 0.00 H new ATOM 0 HA THR A 53 11.294 4.777 2.350 1.00 0.00 H new ATOM 0 HB THR A 53 11.378 3.080 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.853 4.231 5.532 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.520 2.058 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.061 1.590 3.139 1.00 0.00 H new ATOM 0 HG23 THR A 53 14.319 2.822 3.399 1.00 0.00 H new ATOM 785 N GLN A 54 14.221 3.900 1.178 1.00 0.00 N ATOM 786 CA GLN A 54 15.483 4.402 0.653 1.00 0.00 C ATOM 787 C GLN A 54 15.248 5.531 -0.346 1.00 0.00 C ATOM 788 O GLN A 54 15.844 6.602 -0.238 1.00 0.00 O ATOM 789 CB GLN A 54 16.270 3.272 -0.012 1.00 0.00 C ATOM 790 CG GLN A 54 17.756 3.563 -0.150 1.00 0.00 C ATOM 791 CD GLN A 54 18.072 4.424 -1.357 1.00 0.00 C ATOM 792 OE1 GLN A 54 18.301 5.627 -1.233 1.00 0.00 O ATOM 793 NE2 GLN A 54 18.088 3.810 -2.534 1.00 0.00 N ATOM 0 H GLN A 54 14.052 2.911 0.995 1.00 0.00 H new ATOM 0 HA GLN A 54 16.063 4.796 1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.140 2.359 0.569 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.852 3.083 -1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.110 4.064 0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 54 18.301 2.622 -0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.892 2.811 -2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.296 4.338 -3.382 1.00 0.00 H new ATOM 802 N GLN A 55 14.374 5.281 -1.316 1.00 0.00 N ATOM 803 CA GLN A 55 14.060 6.277 -2.334 1.00 0.00 C ATOM 804 C GLN A 55 13.236 7.417 -1.746 1.00 0.00 C ATOM 805 O GLN A 55 13.367 8.568 -2.161 1.00 0.00 O ATOM 806 CB GLN A 55 13.302 5.629 -3.494 1.00 0.00 C ATOM 807 CG GLN A 55 12.901 6.611 -4.584 1.00 0.00 C ATOM 808 CD GLN A 55 14.097 7.238 -5.272 1.00 0.00 C ATOM 809 OE1 GLN A 55 14.594 8.283 -4.849 1.00 0.00 O ATOM 810 NE2 GLN A 55 14.565 6.604 -6.340 1.00 0.00 N ATOM 0 H GLN A 55 13.872 4.399 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 55 14.999 6.687 -2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.923 4.847 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.406 5.144 -3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.289 6.096 -5.325 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.283 7.397 -4.150 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.122 5.741 -6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.367 6.980 -6.845 1.00 0.00 H new ATOM 819 N MET A 56 12.388 7.089 -0.778 1.00 0.00 N ATOM 820 CA MET A 56 11.542 8.086 -0.132 1.00 0.00 C ATOM 821 C MET A 56 11.748 8.076 1.380 1.00 0.00 C ATOM 822 O MET A 56 10.974 7.483 2.132 1.00 0.00 O ATOM 823 CB MET A 56 10.070 7.828 -0.460 1.00 0.00 C ATOM 824 CG MET A 56 9.764 7.867 -1.948 1.00 0.00 C ATOM 825 SD MET A 56 10.074 6.288 -2.762 1.00 0.00 S ATOM 826 CE MET A 56 8.400 5.707 -3.024 1.00 0.00 C ATOM 0 H MET A 56 12.268 6.140 -0.423 1.00 0.00 H new ATOM 0 HA MET A 56 11.824 9.067 -0.513 1.00 0.00 H new ATOM 0 HB2 MET A 56 9.783 6.854 -0.064 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.457 8.572 0.048 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.721 8.148 -2.093 1.00 0.00 H new ATOM 0 HG3 MET A 56 10.371 8.640 -2.420 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.344 4.643 -2.795 1.00 0.00 H new ATOM 0 HE2 MET A 56 7.719 6.255 -2.373 1.00 0.00 H new ATOM 0 HE3 MET A 56 8.117 5.869 -4.064 1.00 0.00 H new ATOM 836 N PRO A 57 12.815 8.749 1.837 1.00 0.00 N ATOM 837 CA PRO A 57 13.147 8.832 3.263 1.00 0.00 C ATOM 838 C PRO A 57 12.152 9.687 4.040 1.00 0.00 C ATOM 839 O PRO A 57 11.862 9.417 5.205 1.00 0.00 O ATOM 840 CB PRO A 57 14.532 9.485 3.267 1.00 0.00 C ATOM 841 CG PRO A 57 14.590 10.260 1.996 1.00 0.00 C ATOM 842 CD PRO A 57 13.780 9.479 0.998 1.00 0.00 C ATOM 0 HA PRO A 57 13.120 7.855 3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.661 10.135 4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.323 8.736 3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.183 11.262 2.131 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.619 10.377 1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.278 10.135 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.404 8.798 0.419 1.00 0.00 H new ATOM 850 N LYS A 58 11.632 10.722 3.387 1.00 0.00 N ATOM 851 CA LYS A 58 10.667 11.616 4.016 1.00 0.00 C ATOM 852 C LYS A 58 9.444 10.845 4.501 1.00 0.00 C ATOM 853 O LYS A 58 8.832 11.202 5.507 1.00 0.00 O ATOM 854 CB LYS A 58 10.239 12.708 3.033 1.00 0.00 C ATOM 855 CG LYS A 58 11.344 13.695 2.700 1.00 0.00 C ATOM 856 CD LYS A 58 11.529 14.720 3.805 1.00 0.00 C ATOM 857 CE LYS A 58 10.658 15.947 3.580 1.00 0.00 C ATOM 858 NZ LYS A 58 11.366 16.991 2.790 1.00 0.00 N ATOM 0 H LYS A 58 11.863 10.962 2.423 1.00 0.00 H new ATOM 0 HA LYS A 58 11.146 12.079 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.892 12.240 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.393 13.251 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.278 13.156 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.108 14.205 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.282 14.269 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.576 15.020 3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.746 15.655 3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.358 16.361 4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.740 17.811 2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.223 17.289 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.630 16.604 1.861 1.00 0.00 H new ATOM 872 N VAL A 59 9.095 9.785 3.779 1.00 0.00 N ATOM 873 CA VAL A 59 7.946 8.961 4.137 1.00 0.00 C ATOM 874 C VAL A 59 8.318 7.932 5.200 1.00 0.00 C ATOM 875 O VAL A 59 9.408 7.362 5.172 1.00 0.00 O ATOM 876 CB VAL A 59 7.374 8.231 2.908 1.00 0.00 C ATOM 877 CG1 VAL A 59 6.227 7.318 3.316 1.00 0.00 C ATOM 878 CG2 VAL A 59 6.923 9.231 1.856 1.00 0.00 C ATOM 0 H VAL A 59 9.591 9.477 2.943 1.00 0.00 H new ATOM 0 HA VAL A 59 7.186 9.633 4.536 1.00 0.00 H new ATOM 0 HB VAL A 59 8.161 7.614 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.835 6.810 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.587 6.578 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.436 7.911 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.522 8.697 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.151 9.876 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.773 9.838 1.543 1.00 0.00 H new ATOM 888 N HIS A 60 7.403 7.700 6.137 1.00 0.00 N ATOM 889 CA HIS A 60 7.634 6.739 7.209 1.00 0.00 C ATOM 890 C HIS A 60 6.591 5.625 7.173 1.00 0.00 C ATOM 891 O HIS A 60 5.410 5.861 7.431 1.00 0.00 O ATOM 892 CB HIS A 60 7.603 7.440 8.567 1.00 0.00 C ATOM 893 CG HIS A 60 8.941 7.942 9.012 1.00 0.00 C ATOM 894 ND1 HIS A 60 10.058 7.137 9.096 1.00 0.00 N ATOM 895 CD2 HIS A 60 9.341 9.177 9.397 1.00 0.00 C ATOM 896 CE1 HIS A 60 11.085 7.853 9.516 1.00 0.00 C ATOM 897 NE2 HIS A 60 10.676 9.095 9.705 1.00 0.00 N ATOM 0 H HIS A 60 6.496 8.164 6.175 1.00 0.00 H new ATOM 0 HA HIS A 60 8.619 6.296 7.061 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.908 8.278 8.518 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.216 6.748 9.315 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.724 10.062 9.452 1.00 0.00 H new ATOM 0 HE1 HIS A 60 12.088 7.486 9.677 1.00 0.00 H new ATOM 0 HE2 HIS A 60 11.258 9.868 10.028 1.00 0.00 H new ATOM 905 N ILE A 61 7.035 4.415 6.852 1.00 0.00 N ATOM 906 CA ILE A 61 6.140 3.266 6.784 1.00 0.00 C ATOM 907 C ILE A 61 5.932 2.650 8.163 1.00 0.00 C ATOM 908 O ILE A 61 6.892 2.293 8.846 1.00 0.00 O ATOM 909 CB ILE A 61 6.681 2.188 5.827 1.00 0.00 C ATOM 910 CG1 ILE A 61 6.970 2.793 4.452 1.00 0.00 C ATOM 911 CG2 ILE A 61 5.689 1.040 5.710 1.00 0.00 C ATOM 912 CD1 ILE A 61 7.973 2.001 3.642 1.00 0.00 C ATOM 0 H ILE A 61 8.009 4.204 6.635 1.00 0.00 H new ATOM 0 HA ILE A 61 5.185 3.630 6.404 1.00 0.00 H new ATOM 0 HB ILE A 61 7.614 1.797 6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.038 2.864 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.342 3.809 4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.084 0.285 5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.529 0.596 6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.742 1.416 5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.129 2.488 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.919 1.952 4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.595 0.992 3.481 1.00 0.00 H new ATOM 924 N GLU A 62 4.671 2.525 8.566 1.00 0.00 N ATOM 925 CA GLU A 62 4.338 1.949 9.863 1.00 0.00 C ATOM 926 C GLU A 62 3.376 0.775 9.706 1.00 0.00 C ATOM 927 O GLU A 62 2.432 0.832 8.918 1.00 0.00 O ATOM 928 CB GLU A 62 3.718 3.012 10.773 1.00 0.00 C ATOM 929 CG GLU A 62 3.327 2.486 12.144 1.00 0.00 C ATOM 930 CD GLU A 62 3.290 3.576 13.198 1.00 0.00 C ATOM 931 OE1 GLU A 62 2.876 4.706 12.869 1.00 0.00 O ATOM 932 OE2 GLU A 62 3.677 3.297 14.352 1.00 0.00 O ATOM 0 H GLU A 62 3.864 2.815 8.013 1.00 0.00 H new ATOM 0 HA GLU A 62 5.259 1.584 10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.426 3.831 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.835 3.425 10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.347 2.013 12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.035 1.715 12.449 1.00 0.00 H new ATOM 939 N PHE A 63 3.623 -0.290 10.462 1.00 0.00 N ATOM 940 CA PHE A 63 2.782 -1.479 10.408 1.00 0.00 C ATOM 941 C PHE A 63 2.120 -1.740 11.757 1.00 0.00 C ATOM 942 O PHE A 63 2.772 -1.700 12.801 1.00 0.00 O ATOM 943 CB PHE A 63 3.608 -2.697 9.988 1.00 0.00 C ATOM 944 CG PHE A 63 3.651 -2.910 8.502 1.00 0.00 C ATOM 945 CD1 PHE A 63 2.598 -3.526 7.846 1.00 0.00 C ATOM 946 CD2 PHE A 63 4.745 -2.493 7.761 1.00 0.00 C ATOM 947 CE1 PHE A 63 2.636 -3.723 6.480 1.00 0.00 C ATOM 948 CE2 PHE A 63 4.788 -2.688 6.393 1.00 0.00 C ATOM 949 CZ PHE A 63 3.731 -3.303 5.752 1.00 0.00 C ATOM 0 H PHE A 63 4.400 -0.353 11.120 1.00 0.00 H new ATOM 0 HA PHE A 63 2.001 -1.306 9.668 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.626 -2.581 10.360 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.195 -3.587 10.463 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.738 -3.856 8.409 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.574 -2.010 8.258 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.809 -4.206 5.981 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.647 -2.360 5.827 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.761 -3.455 4.683 1.00 0.00 H new ATOM 959 N THR A 64 0.818 -2.007 11.729 1.00 0.00 N ATOM 960 CA THR A 64 0.065 -2.273 12.949 1.00 0.00 C ATOM 961 C THR A 64 -0.147 -3.769 13.149 1.00 0.00 C ATOM 962 O THR A 64 -0.698 -4.448 12.284 1.00 0.00 O ATOM 963 CB THR A 64 -1.305 -1.571 12.928 1.00 0.00 C ATOM 964 OG1 THR A 64 -1.952 -1.794 11.670 1.00 0.00 O ATOM 965 CG2 THR A 64 -1.151 -0.076 13.165 1.00 0.00 C ATOM 0 H THR A 64 0.263 -2.045 10.874 1.00 0.00 H new ATOM 0 HA THR A 64 0.655 -1.878 13.776 1.00 0.00 H new ATOM 0 HB THR A 64 -1.914 -1.990 13.729 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.466 -1.320 10.964 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.132 0.398 13.146 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.686 0.092 14.136 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.525 0.354 12.383 1.00 0.00 H new ATOM 973 N GLU A 65 0.295 -4.276 14.296 1.00 0.00 N ATOM 974 CA GLU A 65 0.153 -5.694 14.609 1.00 0.00 C ATOM 975 C GLU A 65 -1.198 -5.975 15.260 1.00 0.00 C ATOM 976 O GLU A 65 -1.291 -6.743 16.215 1.00 0.00 O ATOM 977 CB GLU A 65 1.282 -6.150 15.535 1.00 0.00 C ATOM 978 CG GLU A 65 1.298 -5.432 16.874 1.00 0.00 C ATOM 979 CD GLU A 65 2.453 -5.866 17.755 1.00 0.00 C ATOM 980 OE1 GLU A 65 2.296 -6.864 18.490 1.00 0.00 O ATOM 981 OE2 GLU A 65 3.514 -5.208 17.710 1.00 0.00 O ATOM 0 H GLU A 65 0.754 -3.727 15.023 1.00 0.00 H new ATOM 0 HA GLU A 65 0.210 -6.253 13.675 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.188 -7.222 15.708 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.237 -5.990 15.035 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.359 -4.357 16.705 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.359 -5.620 17.394 1.00 0.00 H new ATOM 988 N GLY A 66 -2.244 -5.344 14.733 1.00 0.00 N ATOM 989 CA GLY A 66 -3.576 -5.538 15.275 1.00 0.00 C ATOM 990 C GLY A 66 -4.645 -4.851 14.447 1.00 0.00 C ATOM 991 O GLY A 66 -5.724 -5.403 14.236 1.00 0.00 O ATOM 0 H GLY A 66 -2.192 -4.703 13.941 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.792 -6.605 15.328 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.609 -5.155 16.295 1.00 0.00 H new ATOM 995 N GLU A 67 -4.343 -3.644 13.979 1.00 0.00 N ATOM 996 CA GLU A 67 -5.288 -2.881 13.173 1.00 0.00 C ATOM 997 C GLU A 67 -5.404 -3.468 11.769 1.00 0.00 C ATOM 998 O GLU A 67 -6.373 -3.211 11.054 1.00 0.00 O ATOM 999 CB GLU A 67 -4.855 -1.416 13.090 1.00 0.00 C ATOM 1000 CG GLU A 67 -5.153 -0.620 14.350 1.00 0.00 C ATOM 1001 CD GLU A 67 -4.223 0.564 14.526 1.00 0.00 C ATOM 1002 OE1 GLU A 67 -4.324 1.521 13.729 1.00 0.00 O ATOM 1003 OE2 GLU A 67 -3.395 0.536 15.461 1.00 0.00 O ATOM 0 H GLU A 67 -3.453 -3.174 14.144 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.265 -2.938 13.654 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.785 -1.373 12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.358 -0.945 12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.183 -0.266 14.316 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.069 -1.275 15.217 1.00 0.00 H new ATOM 1010 N ASP A 68 -4.409 -4.257 11.381 1.00 0.00 N ATOM 1011 CA ASP A 68 -4.398 -4.882 10.063 1.00 0.00 C ATOM 1012 C ASP A 68 -4.416 -3.827 8.961 1.00 0.00 C ATOM 1013 O ASP A 68 -5.199 -3.914 8.016 1.00 0.00 O ATOM 1014 CB ASP A 68 -5.598 -5.818 9.909 1.00 0.00 C ATOM 1015 CG ASP A 68 -5.838 -6.660 11.147 1.00 0.00 C ATOM 1016 OD1 ASP A 68 -4.941 -7.449 11.510 1.00 0.00 O ATOM 1017 OD2 ASP A 68 -6.923 -6.530 11.752 1.00 0.00 O ATOM 0 H ASP A 68 -3.599 -4.479 11.960 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.480 -5.462 9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.490 -5.229 9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.437 -6.473 9.053 1.00 0.00 H new ATOM 1022 N LYS A 69 -3.546 -2.830 9.089 1.00 0.00 N ATOM 1023 CA LYS A 69 -3.461 -1.758 8.106 1.00 0.00 C ATOM 1024 C LYS A 69 -2.082 -1.107 8.130 1.00 0.00 C ATOM 1025 O LYS A 69 -1.332 -1.255 9.096 1.00 0.00 O ATOM 1026 CB LYS A 69 -4.539 -0.705 8.374 1.00 0.00 C ATOM 1027 CG LYS A 69 -4.207 0.225 9.527 1.00 0.00 C ATOM 1028 CD LYS A 69 -5.075 1.473 9.504 1.00 0.00 C ATOM 1029 CE LYS A 69 -4.859 2.325 10.746 1.00 0.00 C ATOM 1030 NZ LYS A 69 -5.834 3.447 10.826 1.00 0.00 N ATOM 0 H LYS A 69 -2.890 -2.743 9.865 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.622 -2.190 7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.688 -0.112 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.483 -1.209 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.348 -0.300 10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.156 0.510 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.847 2.060 8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.124 1.186 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.950 1.701 11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.845 2.725 10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.653 4.003 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.730 4.057 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.801 3.065 10.858 1.00 0.00 H new ATOM 1044 N ILE A 70 -1.755 -0.384 7.064 1.00 0.00 N ATOM 1045 CA ILE A 70 -0.467 0.291 6.965 1.00 0.00 C ATOM 1046 C ILE A 70 -0.631 1.805 7.063 1.00 0.00 C ATOM 1047 O ILE A 70 -1.416 2.405 6.327 1.00 0.00 O ATOM 1048 CB ILE A 70 0.250 -0.052 5.645 1.00 0.00 C ATOM 1049 CG1 ILE A 70 0.284 -1.566 5.438 1.00 0.00 C ATOM 1050 CG2 ILE A 70 1.658 0.522 5.643 1.00 0.00 C ATOM 1051 CD1 ILE A 70 0.614 -1.975 4.019 1.00 0.00 C ATOM 0 H ILE A 70 -2.364 -0.251 6.257 1.00 0.00 H new ATOM 0 HA ILE A 70 0.139 -0.062 7.800 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.304 0.396 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.021 -2.000 6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.685 -1.984 5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.152 0.271 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.609 1.606 5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.224 0.101 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.621 -3.063 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.136 -1.570 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.596 -1.587 3.748 1.00 0.00 H new ATOM 1063 N THR A 71 0.116 2.418 7.975 1.00 0.00 N ATOM 1064 CA THR A 71 0.054 3.861 8.169 1.00 0.00 C ATOM 1065 C THR A 71 1.272 4.550 7.565 1.00 0.00 C ATOM 1066 O THR A 71 2.392 4.045 7.653 1.00 0.00 O ATOM 1067 CB THR A 71 -0.037 4.224 9.664 1.00 0.00 C ATOM 1068 OG1 THR A 71 0.603 3.214 10.452 1.00 0.00 O ATOM 1069 CG2 THR A 71 -1.488 4.369 10.098 1.00 0.00 C ATOM 0 H THR A 71 0.771 1.937 8.591 1.00 0.00 H new ATOM 0 HA THR A 71 -0.846 4.209 7.662 1.00 0.00 H new ATOM 0 HB THR A 71 0.468 5.178 9.816 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.957 3.615 11.273 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.527 4.625 11.157 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.965 5.158 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.013 3.428 9.933 1.00 0.00 H new ATOM 1077 N LEU A 72 1.047 5.706 6.951 1.00 0.00 N ATOM 1078 CA LEU A 72 2.128 6.466 6.331 1.00 0.00 C ATOM 1079 C LEU A 72 2.217 7.869 6.924 1.00 0.00 C ATOM 1080 O LEU A 72 1.205 8.459 7.301 1.00 0.00 O ATOM 1081 CB LEU A 72 1.916 6.552 4.819 1.00 0.00 C ATOM 1082 CG LEU A 72 2.364 5.336 4.007 1.00 0.00 C ATOM 1083 CD1 LEU A 72 3.862 5.122 4.151 1.00 0.00 C ATOM 1084 CD2 LEU A 72 1.603 4.093 4.445 1.00 0.00 C ATOM 0 H LEU A 72 0.127 6.138 6.869 1.00 0.00 H new ATOM 0 HA LEU A 72 3.065 5.946 6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.856 6.719 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.448 7.428 4.447 1.00 0.00 H new ATOM 0 HG LEU A 72 2.143 5.523 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.163 4.253 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.392 6.003 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.107 4.956 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.934 3.237 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.794 3.903 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.535 4.247 4.291 1.00 0.00 H new ATOM 1096 N GLU A 73 3.434 8.397 7.001 1.00 0.00 N ATOM 1097 CA GLU A 73 3.655 9.731 7.546 1.00 0.00 C ATOM 1098 C GLU A 73 4.572 10.546 6.639 1.00 0.00 C ATOM 1099 O GLU A 73 5.688 10.129 6.330 1.00 0.00 O ATOM 1100 CB GLU A 73 4.259 9.639 8.949 1.00 0.00 C ATOM 1101 CG GLU A 73 4.767 10.968 9.481 1.00 0.00 C ATOM 1102 CD GLU A 73 5.763 10.801 10.613 1.00 0.00 C ATOM 1103 OE1 GLU A 73 5.466 10.038 11.555 1.00 0.00 O ATOM 1104 OE2 GLU A 73 6.838 11.433 10.555 1.00 0.00 O ATOM 0 H GLU A 73 4.282 7.921 6.693 1.00 0.00 H new ATOM 0 HA GLU A 73 2.690 10.235 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.507 9.246 9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.082 8.924 8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.235 11.525 8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.922 11.562 9.830 1.00 0.00 H new ATOM 1111 N GLY A 74 4.091 11.711 6.214 1.00 0.00 N ATOM 1112 CA GLY A 74 4.879 12.565 5.344 1.00 0.00 C ATOM 1113 C GLY A 74 4.019 13.488 4.503 1.00 0.00 C ATOM 1114 O GLY A 74 2.803 13.566 4.676 1.00 0.00 O ATOM 0 H GLY A 74 3.171 12.078 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.563 13.161 5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.490 11.945 4.688 1.00 0.00 H new ATOM 1118 N PRO A 75 4.657 14.208 3.569 1.00 0.00 N ATOM 1119 CA PRO A 75 3.961 15.143 2.680 1.00 0.00 C ATOM 1120 C PRO A 75 3.076 14.428 1.665 1.00 0.00 C ATOM 1121 O PRO A 75 3.511 13.491 0.994 1.00 0.00 O ATOM 1122 CB PRO A 75 5.104 15.875 1.970 1.00 0.00 C ATOM 1123 CG PRO A 75 6.249 14.923 2.017 1.00 0.00 C ATOM 1124 CD PRO A 75 6.106 14.164 3.308 1.00 0.00 C ATOM 0 HA PRO A 75 3.289 15.803 3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.837 16.124 0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.347 16.812 2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.229 14.246 1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.200 15.455 1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.467 13.140 3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.674 14.630 4.113 1.00 0.00 H new ATOM 1132 N THR A 76 1.828 14.877 1.555 1.00 0.00 N ATOM 1133 CA THR A 76 0.881 14.280 0.623 1.00 0.00 C ATOM 1134 C THR A 76 1.555 13.936 -0.702 1.00 0.00 C ATOM 1135 O THR A 76 1.306 12.878 -1.279 1.00 0.00 O ATOM 1136 CB THR A 76 -0.309 15.220 0.352 1.00 0.00 C ATOM 1137 OG1 THR A 76 -0.941 15.576 1.585 1.00 0.00 O ATOM 1138 CG2 THR A 76 -1.321 14.558 -0.571 1.00 0.00 C ATOM 0 H THR A 76 1.451 15.652 2.101 1.00 0.00 H new ATOM 0 HA THR A 76 0.513 13.365 1.088 1.00 0.00 H new ATOM 0 HB THR A 76 0.069 16.119 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.695 16.175 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.152 15.240 -0.748 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.843 14.314 -1.520 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.694 13.645 -0.107 1.00 0.00 H new ATOM 1146 N GLU A 77 2.410 14.837 -1.176 1.00 0.00 N ATOM 1147 CA GLU A 77 3.118 14.627 -2.433 1.00 0.00 C ATOM 1148 C GLU A 77 3.827 13.275 -2.439 1.00 0.00 C ATOM 1149 O GLU A 77 3.777 12.541 -3.426 1.00 0.00 O ATOM 1150 CB GLU A 77 4.134 15.748 -2.664 1.00 0.00 C ATOM 1151 CG GLU A 77 5.442 15.549 -1.917 1.00 0.00 C ATOM 1152 CD GLU A 77 6.361 16.751 -2.018 1.00 0.00 C ATOM 1153 OE1 GLU A 77 6.547 17.263 -3.142 1.00 0.00 O ATOM 1154 OE2 GLU A 77 6.893 17.180 -0.973 1.00 0.00 O ATOM 0 H GLU A 77 2.629 15.717 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 77 2.385 14.637 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.343 15.823 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.692 16.696 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.229 15.346 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.953 14.672 -2.314 1.00 0.00 H new ATOM 1161 N ASP A 78 4.487 12.955 -1.331 1.00 0.00 N ATOM 1162 CA ASP A 78 5.206 11.693 -1.208 1.00 0.00 C ATOM 1163 C ASP A 78 4.260 10.567 -0.800 1.00 0.00 C ATOM 1164 O ASP A 78 4.323 9.462 -1.340 1.00 0.00 O ATOM 1165 CB ASP A 78 6.335 11.822 -0.186 1.00 0.00 C ATOM 1166 CG ASP A 78 7.512 12.615 -0.720 1.00 0.00 C ATOM 1167 OD1 ASP A 78 7.418 13.120 -1.859 1.00 0.00 O ATOM 1168 OD2 ASP A 78 8.526 12.731 -0.002 1.00 0.00 O ATOM 0 H ASP A 78 4.539 13.552 -0.506 1.00 0.00 H new ATOM 0 HA ASP A 78 5.634 11.450 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.953 12.305 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.673 10.827 0.105 1.00 0.00 H new ATOM 1173 N VAL A 79 3.385 10.855 0.159 1.00 0.00 N ATOM 1174 CA VAL A 79 2.426 9.867 0.640 1.00 0.00 C ATOM 1175 C VAL A 79 1.729 9.167 -0.521 1.00 0.00 C ATOM 1176 O VAL A 79 1.550 7.950 -0.508 1.00 0.00 O ATOM 1177 CB VAL A 79 1.363 10.512 1.549 1.00 0.00 C ATOM 1178 CG1 VAL A 79 0.406 9.459 2.084 1.00 0.00 C ATOM 1179 CG2 VAL A 79 2.028 11.269 2.689 1.00 0.00 C ATOM 0 H VAL A 79 3.321 11.764 0.618 1.00 0.00 H new ATOM 0 HA VAL A 79 2.990 9.134 1.217 1.00 0.00 H new ATOM 0 HB VAL A 79 0.787 11.223 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.337 9.934 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.095 8.966 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.963 8.721 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.263 11.719 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.630 10.580 3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.668 12.052 2.282 1.00 0.00 H new ATOM 1189 N SER A 80 1.337 9.945 -1.525 1.00 0.00 N ATOM 1190 CA SER A 80 0.654 9.401 -2.693 1.00 0.00 C ATOM 1191 C SER A 80 1.589 8.501 -3.497 1.00 0.00 C ATOM 1192 O SER A 80 1.142 7.621 -4.231 1.00 0.00 O ATOM 1193 CB SER A 80 0.133 10.534 -3.579 1.00 0.00 C ATOM 1194 OG SER A 80 -0.578 10.023 -4.694 1.00 0.00 O ATOM 0 H SER A 80 1.481 10.954 -1.553 1.00 0.00 H new ATOM 0 HA SER A 80 -0.189 8.804 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.518 11.186 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.968 11.143 -3.924 1.00 0.00 H new ATOM 0 HG SER A 80 -0.902 10.767 -5.244 1.00 0.00 H new ATOM 1200 N VAL A 81 2.890 8.730 -3.352 1.00 0.00 N ATOM 1201 CA VAL A 81 3.889 7.941 -4.062 1.00 0.00 C ATOM 1202 C VAL A 81 4.221 6.661 -3.302 1.00 0.00 C ATOM 1203 O VAL A 81 4.139 5.563 -3.850 1.00 0.00 O ATOM 1204 CB VAL A 81 5.185 8.744 -4.285 1.00 0.00 C ATOM 1205 CG1 VAL A 81 6.184 7.931 -5.094 1.00 0.00 C ATOM 1206 CG2 VAL A 81 4.880 10.067 -4.971 1.00 0.00 C ATOM 0 H VAL A 81 3.277 9.456 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 81 3.459 7.684 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 81 5.631 8.959 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.093 8.514 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.425 7.013 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.751 7.683 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.807 10.621 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.411 9.877 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.204 10.652 -4.348 1.00 0.00 H new ATOM 1216 N ALA A 82 4.596 6.812 -2.036 1.00 0.00 N ATOM 1217 CA ALA A 82 4.937 5.669 -1.199 1.00 0.00 C ATOM 1218 C ALA A 82 3.745 4.733 -1.035 1.00 0.00 C ATOM 1219 O ALA A 82 3.872 3.519 -1.194 1.00 0.00 O ATOM 1220 CB ALA A 82 5.433 6.140 0.160 1.00 0.00 C ATOM 0 H ALA A 82 4.671 7.715 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 82 5.735 5.114 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.684 5.276 0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.319 6.762 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.652 6.720 0.651 1.00 0.00 H new ATOM 1226 N GLN A 83 2.588 5.304 -0.717 1.00 0.00 N ATOM 1227 CA GLN A 83 1.374 4.519 -0.530 1.00 0.00 C ATOM 1228 C GLN A 83 1.025 3.747 -1.798 1.00 0.00 C ATOM 1229 O GLN A 83 0.580 2.601 -1.735 1.00 0.00 O ATOM 1230 CB GLN A 83 0.209 5.429 -0.136 1.00 0.00 C ATOM 1231 CG GLN A 83 -0.494 6.066 -1.323 1.00 0.00 C ATOM 1232 CD GLN A 83 -1.782 6.765 -0.933 1.00 0.00 C ATOM 1233 OE1 GLN A 83 -1.771 7.923 -0.515 1.00 0.00 O ATOM 1234 NE2 GLN A 83 -2.901 6.063 -1.067 1.00 0.00 N ATOM 0 H GLN A 83 2.466 6.308 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 83 1.554 3.803 0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.516 4.850 0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.580 6.216 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.176 6.785 -1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.712 5.299 -2.066 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.864 5.106 -1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.798 6.481 -0.819 1.00 0.00 H new ATOM 1243 N GLU A 84 1.231 4.381 -2.948 1.00 0.00 N ATOM 1244 CA GLU A 84 0.936 3.753 -4.230 1.00 0.00 C ATOM 1245 C GLU A 84 1.852 2.558 -4.473 1.00 0.00 C ATOM 1246 O GLU A 84 1.401 1.492 -4.892 1.00 0.00 O ATOM 1247 CB GLU A 84 1.090 4.766 -5.366 1.00 0.00 C ATOM 1248 CG GLU A 84 0.746 4.202 -6.736 1.00 0.00 C ATOM 1249 CD GLU A 84 0.706 5.268 -7.813 1.00 0.00 C ATOM 1250 OE1 GLU A 84 1.784 5.776 -8.186 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -0.404 5.594 -8.283 1.00 0.00 O ATOM 0 H GLU A 84 1.601 5.329 -3.018 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.095 3.400 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.450 5.625 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.117 5.130 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.481 3.444 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.222 3.704 -6.687 1.00 0.00 H new ATOM 1258 N GLN A 85 3.142 2.743 -4.208 1.00 0.00 N ATOM 1259 CA GLN A 85 4.121 1.681 -4.398 1.00 0.00 C ATOM 1260 C GLN A 85 3.768 0.457 -3.558 1.00 0.00 C ATOM 1261 O GLN A 85 3.855 -0.677 -4.030 1.00 0.00 O ATOM 1262 CB GLN A 85 5.521 2.177 -4.034 1.00 0.00 C ATOM 1263 CG GLN A 85 6.208 2.938 -5.157 1.00 0.00 C ATOM 1264 CD GLN A 85 7.685 3.155 -4.897 1.00 0.00 C ATOM 1265 OE1 GLN A 85 8.273 2.521 -4.019 1.00 0.00 O ATOM 1266 NE2 GLN A 85 8.296 4.053 -5.660 1.00 0.00 N ATOM 0 H GLN A 85 3.532 3.619 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 85 4.107 1.394 -5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.453 2.822 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.138 1.324 -3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.084 2.390 -6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.720 3.904 -5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.771 4.556 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.290 4.240 -5.531 1.00 0.00 H new ATOM 1275 N ILE A 86 3.370 0.696 -2.313 1.00 0.00 N ATOM 1276 CA ILE A 86 3.004 -0.387 -1.409 1.00 0.00 C ATOM 1277 C ILE A 86 1.784 -1.144 -1.923 1.00 0.00 C ATOM 1278 O ILE A 86 1.765 -2.375 -1.934 1.00 0.00 O ATOM 1279 CB ILE A 86 2.707 0.139 0.008 1.00 0.00 C ATOM 1280 CG1 ILE A 86 3.967 0.756 0.620 1.00 0.00 C ATOM 1281 CG2 ILE A 86 2.179 -0.982 0.889 1.00 0.00 C ATOM 1282 CD1 ILE A 86 3.701 1.542 1.885 1.00 0.00 C ATOM 0 H ILE A 86 3.293 1.629 -1.908 1.00 0.00 H new ATOM 0 HA ILE A 86 3.857 -1.064 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 86 1.942 0.912 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.681 -0.038 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.434 1.412 -0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.974 -0.595 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.260 -1.381 0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.924 -1.775 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.638 1.950 2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.011 2.357 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.262 0.885 2.636 1.00 0.00 H new ATOM 1294 N GLU A 87 0.769 -0.400 -2.351 1.00 0.00 N ATOM 1295 CA GLU A 87 -0.454 -1.002 -2.868 1.00 0.00 C ATOM 1296 C GLU A 87 -0.149 -1.939 -4.033 1.00 0.00 C ATOM 1297 O GLU A 87 -0.798 -2.971 -4.200 1.00 0.00 O ATOM 1298 CB GLU A 87 -1.433 0.085 -3.316 1.00 0.00 C ATOM 1299 CG GLU A 87 -2.181 0.742 -2.168 1.00 0.00 C ATOM 1300 CD GLU A 87 -3.533 1.285 -2.587 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -4.330 0.513 -3.160 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -3.795 2.481 -2.341 1.00 0.00 O ATOM 0 H GLU A 87 0.770 0.620 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.910 -1.584 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.886 0.850 -3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.155 -0.351 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.318 0.017 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.577 1.554 -1.763 1.00 0.00 H new ATOM 1309 N GLY A 88 0.846 -1.572 -4.836 1.00 0.00 N ATOM 1310 CA GLY A 88 1.219 -2.389 -5.975 1.00 0.00 C ATOM 1311 C GLY A 88 1.759 -3.745 -5.564 1.00 0.00 C ATOM 1312 O GLY A 88 1.366 -4.771 -6.118 1.00 0.00 O ATOM 0 H GLY A 88 1.400 -0.724 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.351 -2.527 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.972 -1.865 -6.563 1.00 0.00 H new ATOM 1316 N MET A 89 2.664 -3.749 -4.591 1.00 0.00 N ATOM 1317 CA MET A 89 3.259 -4.989 -4.107 1.00 0.00 C ATOM 1318 C MET A 89 2.247 -5.800 -3.304 1.00 0.00 C ATOM 1319 O MET A 89 2.316 -7.028 -3.260 1.00 0.00 O ATOM 1320 CB MET A 89 4.488 -4.689 -3.246 1.00 0.00 C ATOM 1321 CG MET A 89 4.147 -4.135 -1.871 1.00 0.00 C ATOM 1322 SD MET A 89 5.396 -4.531 -0.634 1.00 0.00 S ATOM 1323 CE MET A 89 5.547 -2.957 0.210 1.00 0.00 C ATOM 0 H MET A 89 3.001 -2.908 -4.122 1.00 0.00 H new ATOM 0 HA MET A 89 3.566 -5.577 -4.972 1.00 0.00 H new ATOM 0 HB2 MET A 89 5.069 -5.603 -3.126 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.122 -3.974 -3.770 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.037 -3.053 -1.937 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.185 -4.535 -1.551 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.471 -2.941 0.787 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.563 -2.151 -0.524 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.698 -2.821 0.880 1.00 0.00 H new ATOM 1333 N VAL A 90 1.309 -5.105 -2.668 1.00 0.00 N ATOM 1334 CA VAL A 90 0.283 -5.761 -1.867 1.00 0.00 C ATOM 1335 C VAL A 90 -0.701 -6.521 -2.749 1.00 0.00 C ATOM 1336 O VAL A 90 -0.856 -7.736 -2.622 1.00 0.00 O ATOM 1337 CB VAL A 90 -0.494 -4.746 -1.008 1.00 0.00 C ATOM 1338 CG1 VAL A 90 -1.621 -5.434 -0.254 1.00 0.00 C ATOM 1339 CG2 VAL A 90 0.445 -4.033 -0.046 1.00 0.00 C ATOM 0 H VAL A 90 1.239 -4.088 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 90 0.796 -6.464 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.935 -4.000 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.158 -4.700 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.308 -5.893 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.206 -6.203 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.121 -3.320 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.917 -4.764 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.212 -3.504 -0.611 1.00 0.00 H new ATOM 1349 N LYS A 91 -1.364 -5.798 -3.645 1.00 0.00 N ATOM 1350 CA LYS A 91 -2.332 -6.404 -4.553 1.00 0.00 C ATOM 1351 C LYS A 91 -1.784 -7.696 -5.151 1.00 0.00 C ATOM 1352 O LYS A 91 -2.505 -8.686 -5.280 1.00 0.00 O ATOM 1353 CB LYS A 91 -2.695 -5.425 -5.671 1.00 0.00 C ATOM 1354 CG LYS A 91 -4.114 -5.588 -6.186 1.00 0.00 C ATOM 1355 CD LYS A 91 -5.090 -4.711 -5.420 1.00 0.00 C ATOM 1356 CE LYS A 91 -5.631 -5.422 -4.188 1.00 0.00 C ATOM 1357 NZ LYS A 91 -6.733 -4.655 -3.545 1.00 0.00 N ATOM 0 H LYS A 91 -1.249 -4.791 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.229 -6.642 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.565 -4.406 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.999 -5.559 -6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.149 -5.333 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.416 -6.632 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.593 -3.788 -5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.917 -4.430 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.993 -6.411 -4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.824 -5.570 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.075 -5.172 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.382 -3.720 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.514 -4.536 -4.222 1.00 0.00 H new ATOM 1371 N ASP A 92 -0.506 -7.680 -5.511 1.00 0.00 N ATOM 1372 CA ASP A 92 0.139 -8.850 -6.093 1.00 0.00 C ATOM 1373 C ASP A 92 0.197 -9.996 -5.086 1.00 0.00 C ATOM 1374 O ASP A 92 -0.053 -11.152 -5.429 1.00 0.00 O ATOM 1375 CB ASP A 92 1.550 -8.500 -6.567 1.00 0.00 C ATOM 1376 CG ASP A 92 2.214 -9.645 -7.307 1.00 0.00 C ATOM 1377 OD1 ASP A 92 2.653 -10.607 -6.641 1.00 0.00 O ATOM 1378 OD2 ASP A 92 2.295 -9.579 -8.551 1.00 0.00 O ATOM 0 H ASP A 92 0.104 -6.869 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.454 -9.171 -6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.505 -7.628 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.161 -8.224 -5.707 1.00 0.00 H new ATOM 1383 N LEU A 93 0.530 -9.667 -3.842 1.00 0.00 N ATOM 1384 CA LEU A 93 0.622 -10.667 -2.785 1.00 0.00 C ATOM 1385 C LEU A 93 -0.684 -11.444 -2.656 1.00 0.00 C ATOM 1386 O LEU A 93 -0.680 -12.638 -2.348 1.00 0.00 O ATOM 1387 CB LEU A 93 0.965 -9.999 -1.452 1.00 0.00 C ATOM 1388 CG LEU A 93 2.400 -9.493 -1.305 1.00 0.00 C ATOM 1389 CD1 LEU A 93 2.503 -8.508 -0.151 1.00 0.00 C ATOM 1390 CD2 LEU A 93 3.358 -10.657 -1.101 1.00 0.00 C ATOM 0 H LEU A 93 0.741 -8.715 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 93 1.415 -11.367 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.288 -9.158 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.768 -10.711 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 93 2.678 -8.976 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.532 -8.159 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.846 -7.658 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.205 -9.000 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.375 -10.278 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.081 -11.202 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.305 -11.326 -1.960 1.00 0.00 H new ATOM 1402 N ILE A 94 -1.799 -10.762 -2.893 1.00 0.00 N ATOM 1403 CA ILE A 94 -3.112 -11.390 -2.807 1.00 0.00 C ATOM 1404 C ILE A 94 -3.480 -12.078 -4.118 1.00 0.00 C ATOM 1405 O ILE A 94 -3.877 -13.242 -4.130 1.00 0.00 O ATOM 1406 CB ILE A 94 -4.204 -10.365 -2.454 1.00 0.00 C ATOM 1407 CG1 ILE A 94 -3.938 -9.759 -1.075 1.00 0.00 C ATOM 1408 CG2 ILE A 94 -5.578 -11.019 -2.495 1.00 0.00 C ATOM 1409 CD1 ILE A 94 -4.801 -8.555 -0.767 1.00 0.00 C ATOM 0 H ILE A 94 -1.820 -9.774 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.054 -12.134 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.182 -9.564 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.106 -10.521 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.889 -9.470 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.340 -10.281 -2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.766 -11.408 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.613 -11.837 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.558 -8.178 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.616 -7.776 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.852 -8.843 -0.799 1.00 0.00 H new ATOM 1421 N ASN A 95 -3.342 -11.348 -5.221 1.00 0.00 N ATOM 1422 CA ASN A 95 -3.658 -11.888 -6.538 1.00 0.00 C ATOM 1423 C ASN A 95 -2.959 -13.226 -6.762 1.00 0.00 C ATOM 1424 O ASN A 95 -3.563 -14.179 -7.252 1.00 0.00 O ATOM 1425 CB ASN A 95 -3.250 -10.898 -7.631 1.00 0.00 C ATOM 1426 CG ASN A 95 -4.184 -9.706 -7.710 1.00 0.00 C ATOM 1427 OD1 ASN A 95 -5.405 -9.858 -7.686 1.00 0.00 O ATOM 1428 ND2 ASN A 95 -3.612 -8.511 -7.804 1.00 0.00 N ATOM 0 H ASN A 95 -3.014 -10.382 -5.228 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.735 -12.049 -6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.235 -10.549 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.236 -11.409 -8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.190 -7.672 -7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.595 -8.432 -7.820 1.00 0.00 H new ATOM 1435 N ARG A 96 -1.683 -13.287 -6.396 1.00 0.00 N ATOM 1436 CA ARG A 96 -0.901 -14.507 -6.557 1.00 0.00 C ATOM 1437 C ARG A 96 -1.580 -15.685 -5.864 1.00 0.00 C ATOM 1438 O ARG A 96 -1.374 -16.840 -6.234 1.00 0.00 O ATOM 1439 CB ARG A 96 0.508 -14.313 -5.992 1.00 0.00 C ATOM 1440 CG ARG A 96 0.535 -14.085 -4.489 1.00 0.00 C ATOM 1441 CD ARG A 96 1.887 -14.448 -3.895 1.00 0.00 C ATOM 1442 NE ARG A 96 2.879 -13.398 -4.109 1.00 0.00 N ATOM 1443 CZ ARG A 96 4.190 -13.613 -4.109 1.00 0.00 C ATOM 1444 NH1 ARG A 96 4.664 -14.835 -3.908 1.00 0.00 N ATOM 1445 NH2 ARG A 96 5.030 -12.607 -4.311 1.00 0.00 N ATOM 0 H ARG A 96 -1.169 -12.507 -5.986 1.00 0.00 H new ATOM 0 HA ARG A 96 -0.832 -14.726 -7.623 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.109 -15.191 -6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.976 -13.463 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.311 -13.040 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.244 -14.682 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.776 -14.629 -2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.241 -15.377 -4.341 1.00 0.00 H new ATOM 0 HE ARG A 96 2.547 -12.447 -4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.022 -15.612 -3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.671 -14.998 -3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.670 -11.665 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.036 -12.775 -4.310 1.00 0.00 H new ATOM 1459 N SER A 97 -2.393 -15.382 -4.855 1.00 0.00 N ATOM 1460 CA SER A 97 -3.100 -16.415 -4.108 1.00 0.00 C ATOM 1461 C SER A 97 -4.416 -16.775 -4.790 1.00 0.00 C ATOM 1462 O SER A 97 -4.707 -17.948 -5.021 1.00 0.00 O ATOM 1463 CB SER A 97 -3.367 -15.945 -2.676 1.00 0.00 C ATOM 1464 OG SER A 97 -3.776 -17.024 -1.854 1.00 0.00 O ATOM 0 H SER A 97 -2.577 -14.430 -4.537 1.00 0.00 H new ATOM 0 HA SER A 97 -2.470 -17.304 -4.081 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.465 -15.492 -2.265 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.138 -15.174 -2.680 1.00 0.00 H new ATOM 0 HG SER A 97 -3.939 -16.699 -0.944 1.00 0.00 H new ATOM 1470 N GLY A 98 -5.208 -15.756 -5.111 1.00 0.00 N ATOM 1471 CA GLY A 98 -6.483 -15.986 -5.764 1.00 0.00 C ATOM 1472 C GLY A 98 -6.766 -14.972 -6.856 1.00 0.00 C ATOM 1473 O GLY A 98 -6.400 -13.801 -6.755 1.00 0.00 O ATOM 0 H GLY A 98 -4.989 -14.776 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.493 -16.989 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.280 -15.948 -5.022 1.00 0.00 H new ATOM 1477 N PRO A 99 -7.432 -15.422 -7.929 1.00 0.00 N ATOM 1478 CA PRO A 99 -7.777 -14.563 -9.066 1.00 0.00 C ATOM 1479 C PRO A 99 -8.847 -13.536 -8.711 1.00 0.00 C ATOM 1480 O PRO A 99 -9.947 -13.892 -8.286 1.00 0.00 O ATOM 1481 CB PRO A 99 -8.308 -15.549 -10.108 1.00 0.00 C ATOM 1482 CG PRO A 99 -8.802 -16.710 -9.316 1.00 0.00 C ATOM 1483 CD PRO A 99 -7.899 -16.807 -8.116 1.00 0.00 C ATOM 0 HA PRO A 99 -6.923 -13.978 -9.409 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.108 -15.105 -10.701 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.525 -15.849 -10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.839 -16.563 -9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.769 -17.627 -9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.433 -17.173 -7.239 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.069 -17.491 -8.292 1.00 0.00 H new ATOM 1491 N SER A 100 -8.518 -12.261 -8.888 1.00 0.00 N ATOM 1492 CA SER A 100 -9.451 -11.182 -8.583 1.00 0.00 C ATOM 1493 C SER A 100 -9.582 -10.227 -9.767 1.00 0.00 C ATOM 1494 O SER A 100 -8.754 -10.232 -10.677 1.00 0.00 O ATOM 1495 CB SER A 100 -8.988 -10.413 -7.344 1.00 0.00 C ATOM 1496 OG SER A 100 -9.418 -11.055 -6.156 1.00 0.00 O ATOM 0 H SER A 100 -7.613 -11.949 -9.241 1.00 0.00 H new ATOM 0 HA SER A 100 -10.427 -11.625 -8.384 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.901 -10.335 -7.346 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.381 -9.397 -7.375 1.00 0.00 H new ATOM 0 HG SER A 100 -9.108 -10.545 -5.378 1.00 0.00 H new ATOM 1502 N SER A 101 -10.631 -9.410 -9.745 1.00 0.00 N ATOM 1503 CA SER A 101 -10.874 -8.453 -10.818 1.00 0.00 C ATOM 1504 C SER A 101 -10.875 -7.024 -10.282 1.00 0.00 C ATOM 1505 O SER A 101 -11.706 -6.661 -9.451 1.00 0.00 O ATOM 1506 CB SER A 101 -12.210 -8.751 -11.503 1.00 0.00 C ATOM 1507 OG SER A 101 -12.042 -9.676 -12.565 1.00 0.00 O ATOM 0 H SER A 101 -11.325 -9.392 -8.997 1.00 0.00 H new ATOM 0 HA SER A 101 -10.069 -8.550 -11.546 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.915 -9.152 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.640 -7.826 -11.887 1.00 0.00 H new ATOM 0 HG SER A 101 -12.909 -9.852 -12.986 1.00 0.00 H new ATOM 1513 N GLY A 102 -9.933 -6.218 -10.763 1.00 0.00 N ATOM 1514 CA GLY A 102 -9.841 -4.839 -10.321 1.00 0.00 C ATOM 1515 C GLY A 102 -9.774 -4.716 -8.812 1.00 0.00 C ATOM 1516 O GLY A 102 -9.827 -5.718 -8.098 1.00 0.00 O ATOM 0 H GLY A 102 -9.232 -6.496 -11.450 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.956 -4.379 -10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.704 -4.284 -10.689 1.00 0.00 H new TER 1520 GLY A 102