USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 859 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 75 TYR OH : rot 180:sc= -0.313 USER MOD Set 1.2: A 84 HIS : no HD1:sc=0.000536 X(o=-6.9,f=-7) USER MOD Set 1.3: A 87 HIS : no HD1:sc= -5.91! C(o=-6.9!,f=-8.1!) USER MOD Set 1.4: A 88 THR OG1 : rot 107:sc= -0.644! USER MOD Set 2.1: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 47 SER OG : rot -135:sc= 0.369 USER MOD Set 3.2: A 56 HIS : no HD1:sc= 0.85 K(o=1.2,f=-12!) USER MOD Set 4.1: A 5 HIS : no HD1:sc= -4.2! C(o=-8.8!,f=-18!) USER MOD Set 4.2: A 86 GLN : amide:sc= -4.63! C(o=-8.8!,f=-12!) USER MOD Single : A 1 GLU N :NH3+ -164:sc= -0.0305 (180deg=-0.295) USER MOD Single : A 6 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-0.18) USER MOD Single : A 9 LYS NZ :NH3+ 134:sc= -3.76! (180deg=-5.14!) USER MOD Single : A 10 THR OG1 : rot 54:sc= -5.72! USER MOD Single : A 12 ASN : amide:sc= -2.28! C(o=-2.3!,f=-15!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.318 USER MOD Single : A 17 ASN : amide:sc= -0.0648 K(o=-0.065,f=-1.3!) USER MOD Single : A 19 ASN : amide:sc= -0.0537 K(o=-0.054,f=-2.1!) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0293) USER MOD Single : A 23 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.8!) USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= -9.37! (180deg=-10.9!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -135:sc= -0.866 USER MOD Single : A 39 SER OG : rot -80:sc= -6.45! USER MOD Single : A 40 LYS NZ :NH3+ 133:sc= -0.15 (180deg=-0.706) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -2.13! USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= -7.15! (180deg=-8.31!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -21:sc= 0.371 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.2! C(o=-2.2!,f=-4.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= -0.061 (180deg=-0.534) USER MOD Single : A 85 TYR OH : rot -121:sc= 1.74 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00566 K(o=-0.0057,f=-1.3) USER MOD Single : A 93 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-21!) USER MOD Single : A 94 ASN : amide:sc= -0.627 K(o=-0.63,f=-2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.0704 X(o=0.07,f=-0.29) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.834 X(o=-0.83,f=-0.49) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 97.406 -5.319 -15.652 1.00 0.00 N ATOM 2 CA GLU A 1 97.300 -4.510 -16.899 1.00 0.00 C ATOM 3 C GLU A 1 96.218 -3.449 -16.714 1.00 0.00 C ATOM 4 O GLU A 1 96.498 -2.286 -16.502 1.00 0.00 O ATOM 5 CB GLU A 1 96.914 -5.409 -18.075 1.00 0.00 C ATOM 6 CG GLU A 1 98.024 -6.423 -18.345 1.00 0.00 C ATOM 7 CD GLU A 1 97.627 -7.302 -19.535 1.00 0.00 C ATOM 8 OE1 GLU A 1 96.487 -7.204 -19.964 1.00 0.00 O ATOM 9 OE2 GLU A 1 98.467 -8.056 -19.996 1.00 0.00 O ATOM 0 H1 GLU A 1 98.299 -5.852 -15.659 1.00 0.00 H new ATOM 0 H2 GLU A 1 97.385 -4.688 -14.826 1.00 0.00 H new ATOM 0 H3 GLU A 1 96.607 -5.983 -15.600 1.00 0.00 H new ATOM 0 HA GLU A 1 98.262 -4.039 -17.103 1.00 0.00 H new ATOM 0 HB2 GLU A 1 95.981 -5.929 -17.855 1.00 0.00 H new ATOM 0 HB3 GLU A 1 96.739 -4.803 -18.964 1.00 0.00 H new ATOM 0 HG2 GLU A 1 98.961 -5.907 -18.556 1.00 0.00 H new ATOM 0 HG3 GLU A 1 98.192 -7.040 -17.462 1.00 0.00 H new ATOM 18 N ASP A 2 94.979 -3.846 -16.793 1.00 0.00 N ATOM 19 CA ASP A 2 93.871 -2.871 -16.618 1.00 0.00 C ATOM 20 C ASP A 2 93.723 -2.541 -15.134 1.00 0.00 C ATOM 21 O ASP A 2 94.316 -3.179 -14.284 1.00 0.00 O ATOM 22 CB ASP A 2 92.568 -3.486 -17.135 1.00 0.00 C ATOM 23 CG ASP A 2 92.242 -4.723 -16.296 1.00 0.00 C ATOM 24 OD1 ASP A 2 92.923 -4.932 -15.306 1.00 0.00 O ATOM 25 OD2 ASP A 2 91.319 -5.438 -16.652 1.00 0.00 O ATOM 0 H ASP A 2 94.687 -4.807 -16.972 1.00 0.00 H new ATOM 0 HA ASP A 2 94.090 -1.961 -17.176 1.00 0.00 H new ATOM 0 HB2 ASP A 2 91.756 -2.761 -17.070 1.00 0.00 H new ATOM 0 HB3 ASP A 2 92.669 -3.758 -18.186 1.00 0.00 H new ATOM 30 N LEU A 3 92.944 -1.547 -14.809 1.00 0.00 N ATOM 31 CA LEU A 3 92.776 -1.181 -13.376 1.00 0.00 C ATOM 32 C LEU A 3 91.568 -1.928 -12.780 1.00 0.00 C ATOM 33 O LEU A 3 90.439 -1.711 -13.171 1.00 0.00 O ATOM 34 CB LEU A 3 92.541 0.330 -13.262 1.00 0.00 C ATOM 35 CG LEU A 3 93.744 1.089 -13.836 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.476 2.596 -13.773 1.00 0.00 C ATOM 37 CD2 LEU A 3 95.001 0.760 -13.025 1.00 0.00 C ATOM 0 H LEU A 3 92.419 -0.975 -15.470 1.00 0.00 H new ATOM 0 HA LEU A 3 93.677 -1.459 -12.828 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.634 0.608 -13.800 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.390 0.606 -12.218 1.00 0.00 H new ATOM 0 HG LEU A 3 93.896 0.788 -14.873 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.331 3.135 -14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.586 2.832 -14.357 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.320 2.895 -12.736 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.852 1.302 -13.437 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.851 1.055 -11.986 1.00 0.00 H new ATOM 0 HD23 LEU A 3 95.195 -0.311 -13.073 1.00 0.00 H new ATOM 49 N PRO A 4 91.797 -2.788 -11.820 1.00 0.00 N ATOM 50 CA PRO A 4 90.705 -3.556 -11.147 1.00 0.00 C ATOM 51 C PRO A 4 89.599 -2.636 -10.633 1.00 0.00 C ATOM 52 O PRO A 4 88.508 -3.065 -10.314 1.00 0.00 O ATOM 53 CB PRO A 4 91.400 -4.221 -9.965 1.00 0.00 C ATOM 54 CG PRO A 4 92.842 -4.295 -10.333 1.00 0.00 C ATOM 55 CD PRO A 4 93.119 -3.131 -11.274 1.00 0.00 C ATOM 0 HA PRO A 4 90.227 -4.258 -11.831 1.00 0.00 H new ATOM 0 HB2 PRO A 4 91.258 -3.643 -9.052 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.992 -5.215 -9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 4 93.471 -4.232 -9.445 1.00 0.00 H new ATOM 0 HG3 PRO A 4 93.069 -5.245 -10.817 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.563 -2.288 -10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.815 -3.414 -12.064 1.00 0.00 H new ATOM 63 N HIS A 5 89.886 -1.374 -10.529 1.00 0.00 N ATOM 64 CA HIS A 5 88.871 -0.423 -10.016 1.00 0.00 C ATOM 65 C HIS A 5 87.716 -0.308 -11.012 1.00 0.00 C ATOM 66 O HIS A 5 86.633 0.107 -10.664 1.00 0.00 O ATOM 67 CB HIS A 5 89.532 0.932 -9.806 1.00 0.00 C ATOM 68 CG HIS A 5 90.675 0.759 -8.844 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.473 0.446 -7.508 1.00 0.00 N ATOM 70 CD2 HIS A 5 92.037 0.827 -9.012 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.683 0.339 -6.930 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.670 0.561 -7.802 1.00 0.00 N ATOM 0 H HIS A 5 90.784 -0.959 -10.778 1.00 0.00 H new ATOM 0 HA HIS A 5 88.470 -0.780 -9.068 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.892 1.329 -10.755 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.811 1.649 -9.413 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.539 1.052 -9.941 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.838 0.102 -5.888 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.673 0.540 -7.620 1.00 0.00 H new ATOM 80 N HIS A 6 87.927 -0.674 -12.244 1.00 0.00 N ATOM 81 CA HIS A 6 86.825 -0.589 -13.241 1.00 0.00 C ATOM 82 C HIS A 6 85.651 -1.477 -12.787 1.00 0.00 C ATOM 83 O HIS A 6 84.495 -1.140 -12.973 1.00 0.00 O ATOM 84 CB HIS A 6 87.341 -1.057 -14.604 1.00 0.00 C ATOM 85 CG HIS A 6 88.280 -0.016 -15.174 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.824 1.206 -15.646 1.00 0.00 N ATOM 87 CD2 HIS A 6 89.644 0.007 -15.349 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.894 1.904 -16.072 1.00 0.00 C ATOM 89 NE2 HIS A 6 90.028 1.220 -15.912 1.00 0.00 N ATOM 0 H HIS A 6 88.813 -1.028 -12.604 1.00 0.00 H new ATOM 0 HA HIS A 6 86.479 0.441 -13.322 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.858 -2.011 -14.501 1.00 0.00 H new ATOM 0 HB3 HIS A 6 86.505 -1.220 -15.285 1.00 0.00 H new ATOM 0 HD2 HIS A 6 90.317 -0.797 -15.088 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.840 2.897 -16.492 1.00 0.00 H new ATOM 0 HE2 HIS A 6 90.973 1.521 -16.151 1.00 0.00 H new ATOM 97 N ASP A 7 85.939 -2.612 -12.192 1.00 0.00 N ATOM 98 CA ASP A 7 84.849 -3.523 -11.729 1.00 0.00 C ATOM 99 C ASP A 7 84.493 -3.209 -10.272 1.00 0.00 C ATOM 100 O ASP A 7 85.330 -3.249 -9.394 1.00 0.00 O ATOM 101 CB ASP A 7 85.314 -4.978 -11.826 1.00 0.00 C ATOM 102 CG ASP A 7 84.121 -5.912 -11.614 1.00 0.00 C ATOM 103 OD1 ASP A 7 83.153 -5.476 -11.015 1.00 0.00 O ATOM 104 OD2 ASP A 7 84.197 -7.047 -12.056 1.00 0.00 O ATOM 0 H ASP A 7 86.885 -2.945 -12.008 1.00 0.00 H new ATOM 0 HA ASP A 7 83.973 -3.374 -12.361 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.765 -5.162 -12.801 1.00 0.00 H new ATOM 0 HB3 ASP A 7 86.082 -5.176 -11.078 1.00 0.00 H new ATOM 109 N GLU A 8 83.250 -2.904 -10.012 1.00 0.00 N ATOM 110 CA GLU A 8 82.820 -2.589 -8.620 1.00 0.00 C ATOM 111 C GLU A 8 82.987 -3.830 -7.733 1.00 0.00 C ATOM 112 O GLU A 8 83.230 -3.737 -6.547 1.00 0.00 O ATOM 113 CB GLU A 8 81.347 -2.156 -8.648 1.00 0.00 C ATOM 114 CG GLU A 8 80.910 -1.710 -7.257 1.00 0.00 C ATOM 115 CD GLU A 8 79.728 -0.743 -7.367 1.00 0.00 C ATOM 116 OE1 GLU A 8 78.817 -1.032 -8.125 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.752 0.270 -6.688 1.00 0.00 O ATOM 0 H GLU A 8 82.508 -2.859 -10.711 1.00 0.00 H new ATOM 0 HA GLU A 8 83.432 -1.785 -8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 8 81.212 -1.341 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.722 -2.982 -8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 8 80.627 -2.577 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.741 -1.226 -6.743 1.00 0.00 H new ATOM 124 N LYS A 9 82.846 -4.985 -8.313 1.00 0.00 N ATOM 125 CA LYS A 9 82.971 -6.262 -7.550 1.00 0.00 C ATOM 126 C LYS A 9 84.368 -6.418 -6.938 1.00 0.00 C ATOM 127 O LYS A 9 84.529 -6.962 -5.862 1.00 0.00 O ATOM 128 CB LYS A 9 82.682 -7.415 -8.519 1.00 0.00 C ATOM 129 CG LYS A 9 83.301 -8.733 -8.009 1.00 0.00 C ATOM 130 CD LYS A 9 84.770 -8.914 -8.471 1.00 0.00 C ATOM 131 CE LYS A 9 84.963 -8.480 -9.930 1.00 0.00 C ATOM 132 NZ LYS A 9 83.785 -8.902 -10.738 1.00 0.00 N ATOM 0 H LYS A 9 82.645 -5.104 -9.306 1.00 0.00 H new ATOM 0 HA LYS A 9 82.261 -6.264 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 9 81.605 -7.536 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 9 83.084 -7.177 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 9 83.261 -8.753 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 9 82.705 -9.573 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 9 85.428 -8.331 -7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 9 85.060 -9.959 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 9 85.085 -7.398 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.872 -8.925 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 83.477 -8.113 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 84.046 -9.713 -11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 83.008 -9.176 -10.103 1.00 0.00 H new ATOM 146 N THR A 10 85.378 -5.961 -7.614 1.00 0.00 N ATOM 147 CA THR A 10 86.765 -6.097 -7.084 1.00 0.00 C ATOM 148 C THR A 10 86.843 -5.564 -5.650 1.00 0.00 C ATOM 149 O THR A 10 87.505 -6.130 -4.799 1.00 0.00 O ATOM 150 CB THR A 10 87.715 -5.314 -7.998 1.00 0.00 C ATOM 151 OG1 THR A 10 87.159 -4.042 -8.280 1.00 0.00 O ATOM 152 CG2 THR A 10 87.921 -6.075 -9.301 1.00 0.00 C ATOM 0 H THR A 10 85.306 -5.495 -8.518 1.00 0.00 H new ATOM 0 HA THR A 10 87.052 -7.148 -7.067 1.00 0.00 H new ATOM 0 HB THR A 10 88.675 -5.191 -7.496 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.949 -3.583 -7.440 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.597 -5.514 -9.947 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.352 -7.053 -9.087 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.962 -6.203 -9.803 1.00 0.00 H new ATOM 160 N TRP A 11 86.181 -4.484 -5.369 1.00 0.00 N ATOM 161 CA TRP A 11 86.231 -3.920 -3.985 1.00 0.00 C ATOM 162 C TRP A 11 84.843 -3.936 -3.345 1.00 0.00 C ATOM 163 O TRP A 11 84.707 -3.833 -2.144 1.00 0.00 O ATOM 164 CB TRP A 11 86.726 -2.478 -4.061 1.00 0.00 C ATOM 165 CG TRP A 11 86.520 -1.974 -5.450 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.217 -2.391 -6.521 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.572 -0.981 -5.935 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.758 -1.727 -7.644 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.743 -0.838 -7.331 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.591 -0.203 -5.306 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.964 0.057 -8.072 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.806 0.698 -6.044 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.991 0.827 -7.426 1.00 0.00 C ATOM 0 H TRP A 11 85.606 -3.963 -6.031 1.00 0.00 H new ATOM 0 HA TRP A 11 86.903 -4.527 -3.379 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.185 -1.855 -3.349 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.781 -2.426 -3.793 1.00 0.00 H new ATOM 0 HD1 TRP A 11 88.008 -3.126 -6.507 1.00 0.00 H new ATOM 0 HE1 TRP A 11 87.122 -1.874 -8.586 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.437 -0.297 -4.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 85.113 0.153 -9.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.057 1.294 -5.544 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.384 1.519 -7.991 1.00 0.00 H new ATOM 184 N ASN A 12 83.811 -4.037 -4.126 1.00 0.00 N ATOM 185 CA ASN A 12 82.443 -4.025 -3.537 1.00 0.00 C ATOM 186 C ASN A 12 81.980 -5.441 -3.179 1.00 0.00 C ATOM 187 O ASN A 12 81.929 -6.322 -4.016 1.00 0.00 O ATOM 188 CB ASN A 12 81.467 -3.412 -4.539 1.00 0.00 C ATOM 189 CG ASN A 12 80.111 -3.230 -3.857 1.00 0.00 C ATOM 190 OD1 ASN A 12 79.754 -4.004 -2.993 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.331 -2.242 -4.205 1.00 0.00 N ATOM 0 H ASN A 12 83.851 -4.127 -5.141 1.00 0.00 H new ATOM 0 HA ASN A 12 82.468 -3.432 -2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.843 -2.452 -4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.367 -4.057 -5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.425 -2.123 -3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.627 -1.589 -4.931 1.00 0.00 H new ATOM 198 N VAL A 13 81.618 -5.659 -1.937 1.00 0.00 N ATOM 199 CA VAL A 13 81.136 -7.010 -1.519 1.00 0.00 C ATOM 200 C VAL A 13 79.606 -7.000 -1.450 1.00 0.00 C ATOM 201 O VAL A 13 78.969 -8.034 -1.422 1.00 0.00 O ATOM 202 CB VAL A 13 81.695 -7.359 -0.135 1.00 0.00 C ATOM 203 CG1 VAL A 13 83.217 -7.457 -0.205 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.306 -6.274 0.877 1.00 0.00 C ATOM 0 H VAL A 13 81.636 -4.958 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 13 81.474 -7.751 -2.244 1.00 0.00 H new ATOM 0 HB VAL A 13 81.279 -8.315 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 13 83.611 -7.705 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.499 -8.234 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.629 -6.502 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.707 -6.530 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 13 81.714 -5.315 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 13 80.220 -6.205 0.936 1.00 0.00 H new ATOM 214 N GLY A 14 79.010 -5.838 -1.429 1.00 0.00 N ATOM 215 CA GLY A 14 77.519 -5.763 -1.367 1.00 0.00 C ATOM 216 C GLY A 14 77.042 -6.009 0.065 1.00 0.00 C ATOM 217 O GLY A 14 77.651 -5.560 1.017 1.00 0.00 O ATOM 0 H GLY A 14 79.489 -4.938 -1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.181 -4.784 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.081 -6.503 -2.037 1.00 0.00 H new ATOM 221 N SER A 15 75.951 -6.716 0.226 1.00 0.00 N ATOM 222 CA SER A 15 75.436 -6.982 1.599 1.00 0.00 C ATOM 223 C SER A 15 76.210 -8.160 2.195 1.00 0.00 C ATOM 224 O SER A 15 76.009 -9.301 1.831 1.00 0.00 O ATOM 225 CB SER A 15 73.939 -7.309 1.538 1.00 0.00 C ATOM 226 OG SER A 15 73.446 -7.509 2.858 1.00 0.00 O ATOM 0 H SER A 15 75.399 -7.118 -0.532 1.00 0.00 H new ATOM 0 HA SER A 15 75.573 -6.100 2.225 1.00 0.00 H new ATOM 0 HB2 SER A 15 73.397 -6.496 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.775 -8.203 0.937 1.00 0.00 H new ATOM 0 HG SER A 15 72.489 -7.717 2.822 1.00 0.00 H new ATOM 232 N SER A 16 77.115 -7.881 3.096 1.00 0.00 N ATOM 233 CA SER A 16 77.936 -8.966 3.711 1.00 0.00 C ATOM 234 C SER A 16 78.020 -8.762 5.225 1.00 0.00 C ATOM 235 O SER A 16 78.253 -7.669 5.700 1.00 0.00 O ATOM 236 CB SER A 16 79.341 -8.903 3.108 1.00 0.00 C ATOM 237 OG SER A 16 80.178 -9.863 3.738 1.00 0.00 O ATOM 0 H SER A 16 77.322 -6.941 3.435 1.00 0.00 H new ATOM 0 HA SER A 16 77.480 -9.936 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 16 79.296 -9.094 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 16 79.757 -7.904 3.236 1.00 0.00 H new ATOM 0 HG SER A 16 81.076 -9.820 3.348 1.00 0.00 H new ATOM 243 N ASN A 17 77.844 -9.806 5.989 1.00 0.00 N ATOM 244 CA ASN A 17 77.922 -9.659 7.470 1.00 0.00 C ATOM 245 C ASN A 17 79.345 -9.250 7.875 1.00 0.00 C ATOM 246 O ASN A 17 80.320 -9.686 7.295 1.00 0.00 O ATOM 247 CB ASN A 17 77.548 -10.988 8.146 1.00 0.00 C ATOM 248 CG ASN A 17 76.050 -11.245 7.964 1.00 0.00 C ATOM 249 OD1 ASN A 17 75.259 -10.323 7.994 1.00 0.00 O ATOM 250 ND2 ASN A 17 75.620 -12.465 7.773 1.00 0.00 N ATOM 0 H ASN A 17 77.651 -10.750 5.654 1.00 0.00 H new ATOM 0 HA ASN A 17 77.223 -8.887 7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 17 78.124 -11.805 7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 17 77.796 -10.952 9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 17 74.623 -12.641 7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 17 76.282 -13.241 7.747 1.00 0.00 H new ATOM 257 N ARG A 18 79.467 -8.414 8.872 1.00 0.00 N ATOM 258 CA ARG A 18 80.821 -7.984 9.317 1.00 0.00 C ATOM 259 C ARG A 18 81.608 -9.216 9.757 1.00 0.00 C ATOM 260 O ARG A 18 82.810 -9.289 9.585 1.00 0.00 O ATOM 261 CB ARG A 18 80.689 -6.986 10.478 1.00 0.00 C ATOM 262 CG ARG A 18 80.246 -5.636 9.917 1.00 0.00 C ATOM 263 CD ARG A 18 80.143 -4.610 11.043 1.00 0.00 C ATOM 264 NE ARG A 18 79.698 -3.291 10.469 1.00 0.00 N ATOM 265 CZ ARG A 18 80.324 -2.730 9.458 1.00 0.00 C ATOM 266 NH1 ARG A 18 81.490 -3.174 9.061 1.00 0.00 N ATOM 267 NH2 ARG A 18 79.795 -1.683 8.871 1.00 0.00 N ATOM 0 H ARG A 18 78.689 -8.012 9.395 1.00 0.00 H new ATOM 0 HA ARG A 18 81.348 -7.494 8.499 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.964 -7.348 11.207 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.641 -6.884 10.999 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.958 -5.294 9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 18 79.282 -5.739 9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 18 79.434 -4.950 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 18 81.107 -4.498 11.539 1.00 0.00 H new ATOM 0 HE ARG A 18 78.889 -2.820 10.875 1.00 0.00 H new ATOM 0 HH11 ARG A 18 81.924 -3.965 9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 18 81.964 -2.729 8.275 1.00 0.00 H new ATOM 0 HH21 ARG A 18 78.904 -1.310 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 18 80.274 -1.242 8.086 1.00 0.00 H new ATOM 281 N ASN A 19 80.944 -10.194 10.317 1.00 0.00 N ATOM 282 CA ASN A 19 81.663 -11.421 10.751 1.00 0.00 C ATOM 283 C ASN A 19 82.328 -12.039 9.525 1.00 0.00 C ATOM 284 O ASN A 19 83.478 -12.436 9.558 1.00 0.00 O ATOM 285 CB ASN A 19 80.671 -12.413 11.368 1.00 0.00 C ATOM 286 CG ASN A 19 81.442 -13.553 12.035 1.00 0.00 C ATOM 287 OD1 ASN A 19 82.628 -13.442 12.274 1.00 0.00 O ATOM 288 ND2 ASN A 19 80.813 -14.652 12.349 1.00 0.00 N ATOM 0 H ASN A 19 79.939 -10.193 10.491 1.00 0.00 H new ATOM 0 HA ASN A 19 82.415 -11.175 11.501 1.00 0.00 H new ATOM 0 HB2 ASN A 19 80.042 -11.907 12.100 1.00 0.00 H new ATOM 0 HB3 ASN A 19 80.009 -12.809 10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 19 81.317 -15.418 12.795 1.00 0.00 H new ATOM 0 HD22 ASN A 19 79.817 -14.745 12.148 1.00 0.00 H new ATOM 295 N LYS A 20 81.618 -12.090 8.431 1.00 0.00 N ATOM 296 CA LYS A 20 82.212 -12.646 7.190 1.00 0.00 C ATOM 297 C LYS A 20 83.391 -11.769 6.796 1.00 0.00 C ATOM 298 O LYS A 20 84.383 -12.237 6.273 1.00 0.00 O ATOM 299 CB LYS A 20 81.186 -12.640 6.056 1.00 0.00 C ATOM 300 CG LYS A 20 81.809 -13.298 4.825 1.00 0.00 C ATOM 301 CD LYS A 20 80.838 -13.218 3.646 1.00 0.00 C ATOM 302 CE LYS A 20 81.438 -13.937 2.440 1.00 0.00 C ATOM 303 NZ LYS A 20 81.260 -15.406 2.610 1.00 0.00 N ATOM 0 H LYS A 20 80.653 -11.770 8.346 1.00 0.00 H new ATOM 0 HA LYS A 20 82.531 -13.673 7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.287 -13.178 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 20 80.884 -11.618 5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 20 82.745 -12.801 4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.049 -14.339 5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 20 79.884 -13.672 3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.636 -12.176 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 20 80.952 -13.603 1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 20 82.497 -13.695 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 81.526 -15.892 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 81.864 -15.741 3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 80.265 -15.612 2.832 1.00 0.00 H new ATOM 317 N ALA A 21 83.284 -10.491 7.050 1.00 0.00 N ATOM 318 CA ALA A 21 84.395 -9.562 6.705 1.00 0.00 C ATOM 319 C ALA A 21 85.637 -9.981 7.485 1.00 0.00 C ATOM 320 O ALA A 21 86.746 -9.881 7.007 1.00 0.00 O ATOM 321 CB ALA A 21 84.014 -8.123 7.078 1.00 0.00 C ATOM 0 H ALA A 21 82.472 -10.052 7.483 1.00 0.00 H new ATOM 0 HA ALA A 21 84.591 -9.604 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.833 -7.452 6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.119 -7.830 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.818 -8.064 8.149 1.00 0.00 H new ATOM 327 N GLU A 22 85.458 -10.455 8.686 1.00 0.00 N ATOM 328 CA GLU A 22 86.636 -10.885 9.483 1.00 0.00 C ATOM 329 C GLU A 22 87.361 -12.003 8.729 1.00 0.00 C ATOM 330 O GLU A 22 88.560 -11.977 8.584 1.00 0.00 O ATOM 331 CB GLU A 22 86.177 -11.394 10.854 1.00 0.00 C ATOM 332 CG GLU A 22 85.709 -10.214 11.715 1.00 0.00 C ATOM 333 CD GLU A 22 85.297 -10.725 13.099 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.379 -11.923 13.316 1.00 0.00 O ATOM 335 OE2 GLU A 22 84.907 -9.908 13.919 1.00 0.00 O ATOM 0 H GLU A 22 84.554 -10.562 9.146 1.00 0.00 H new ATOM 0 HA GLU A 22 87.311 -10.042 9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.366 -12.112 10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 22 86.994 -11.917 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 22 86.509 -9.479 11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.869 -9.711 11.236 1.00 0.00 H new ATOM 342 N ASN A 23 86.641 -12.970 8.222 1.00 0.00 N ATOM 343 CA ASN A 23 87.299 -14.064 7.457 1.00 0.00 C ATOM 344 C ASN A 23 87.954 -13.450 6.211 1.00 0.00 C ATOM 345 O ASN A 23 89.077 -13.765 5.867 1.00 0.00 O ATOM 346 CB ASN A 23 86.248 -15.104 7.040 1.00 0.00 C ATOM 347 CG ASN A 23 85.783 -15.907 8.267 1.00 0.00 C ATOM 348 OD1 ASN A 23 86.437 -15.910 9.293 1.00 0.00 O ATOM 349 ND2 ASN A 23 84.674 -16.598 8.198 1.00 0.00 N ATOM 0 H ASN A 23 85.627 -13.047 8.306 1.00 0.00 H new ATOM 0 HA ASN A 23 88.053 -14.558 8.070 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.396 -14.606 6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 23 86.668 -15.777 6.293 1.00 0.00 H new ATOM 0 HD21 ASN A 23 84.359 -17.138 9.004 1.00 0.00 H new ATOM 0 HD22 ASN A 23 84.125 -16.596 7.339 1.00 0.00 H new ATOM 356 N LEU A 24 87.262 -12.554 5.546 1.00 0.00 N ATOM 357 CA LEU A 24 87.838 -11.891 4.338 1.00 0.00 C ATOM 358 C LEU A 24 88.988 -10.984 4.762 1.00 0.00 C ATOM 359 O LEU A 24 89.980 -10.855 4.075 1.00 0.00 O ATOM 360 CB LEU A 24 86.766 -11.034 3.663 1.00 0.00 C ATOM 361 CG LEU A 24 85.675 -11.935 3.084 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.551 -11.077 2.498 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.273 -12.826 1.987 1.00 0.00 C ATOM 0 H LEU A 24 86.319 -12.254 5.792 1.00 0.00 H new ATOM 0 HA LEU A 24 88.194 -12.654 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.334 -10.341 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.213 -10.433 2.871 1.00 0.00 H new ATOM 0 HG LEU A 24 85.268 -12.563 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.776 -11.724 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.124 -10.452 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 24 84.952 -10.443 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.494 -13.468 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.685 -12.201 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.065 -13.443 2.411 1.00 0.00 H new ATOM 375 N LEU A 25 88.863 -10.347 5.890 1.00 0.00 N ATOM 376 CA LEU A 25 89.952 -9.449 6.343 1.00 0.00 C ATOM 377 C LEU A 25 90.979 -10.267 7.131 1.00 0.00 C ATOM 378 O LEU A 25 92.088 -9.827 7.366 1.00 0.00 O ATOM 379 CB LEU A 25 89.365 -8.354 7.233 1.00 0.00 C ATOM 380 CG LEU A 25 88.537 -7.382 6.383 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.639 -6.544 7.295 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.474 -6.454 5.610 1.00 0.00 C ATOM 0 H LEU A 25 88.058 -10.410 6.513 1.00 0.00 H new ATOM 0 HA LEU A 25 90.439 -8.989 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.739 -8.798 8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.166 -7.816 7.740 1.00 0.00 H new ATOM 0 HG LEU A 25 87.923 -7.948 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 25 87.051 -5.853 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.970 -7.201 7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.256 -5.980 7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.885 -5.763 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 25 90.088 -5.890 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.118 -7.046 4.960 1.00 0.00 H new ATOM 394 N ARG A 26 90.624 -11.461 7.537 1.00 0.00 N ATOM 395 CA ARG A 26 91.589 -12.300 8.302 1.00 0.00 C ATOM 396 C ARG A 26 92.597 -12.910 7.343 1.00 0.00 C ATOM 397 O ARG A 26 93.699 -13.258 7.710 1.00 0.00 O ATOM 398 CB ARG A 26 90.844 -13.399 9.078 1.00 0.00 C ATOM 399 CG ARG A 26 90.524 -12.901 10.493 1.00 0.00 C ATOM 400 CD ARG A 26 90.207 -14.086 11.404 1.00 0.00 C ATOM 401 NE ARG A 26 91.440 -14.900 11.599 1.00 0.00 N ATOM 402 CZ ARG A 26 91.495 -15.784 12.560 1.00 0.00 C ATOM 403 NH1 ARG A 26 90.494 -15.914 13.386 1.00 0.00 N ATOM 404 NH2 ARG A 26 92.555 -16.537 12.700 1.00 0.00 N ATOM 0 H ARG A 26 89.712 -11.887 7.371 1.00 0.00 H new ATOM 0 HA ARG A 26 92.117 -11.677 9.023 1.00 0.00 H new ATOM 0 HB2 ARG A 26 89.924 -13.665 8.558 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.454 -14.301 9.128 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.371 -12.342 10.891 1.00 0.00 H new ATOM 0 HG3 ARG A 26 89.676 -12.217 10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 26 89.836 -13.731 12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 26 89.419 -14.698 10.964 1.00 0.00 H new ATOM 0 HE ARG A 26 92.241 -14.767 10.982 1.00 0.00 H new ATOM 0 HH11 ARG A 26 89.667 -15.325 13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 26 90.538 -16.604 14.136 1.00 0.00 H new ATOM 0 HH21 ARG A 26 93.341 -16.435 12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 26 92.595 -17.226 13.451 1.00 0.00 H new ATOM 418 N GLY A 27 92.234 -13.004 6.114 1.00 0.00 N ATOM 419 CA GLY A 27 93.173 -13.552 5.101 1.00 0.00 C ATOM 420 C GLY A 27 93.567 -12.412 4.180 1.00 0.00 C ATOM 421 O GLY A 27 94.002 -12.613 3.066 1.00 0.00 O ATOM 0 H GLY A 27 91.321 -12.725 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 27 94.053 -13.976 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 27 92.701 -14.356 4.536 1.00 0.00 H new ATOM 425 N LYS A 28 93.388 -11.206 4.634 1.00 0.00 N ATOM 426 CA LYS A 28 93.718 -10.039 3.774 1.00 0.00 C ATOM 427 C LYS A 28 95.007 -9.355 4.230 1.00 0.00 C ATOM 428 O LYS A 28 95.200 -9.058 5.392 1.00 0.00 O ATOM 429 CB LYS A 28 92.564 -9.049 3.834 1.00 0.00 C ATOM 430 CG LYS A 28 92.837 -7.885 2.897 1.00 0.00 C ATOM 431 CD LYS A 28 91.616 -6.972 2.886 1.00 0.00 C ATOM 432 CE LYS A 28 90.415 -7.726 2.302 1.00 0.00 C ATOM 433 NZ LYS A 28 90.900 -8.781 1.374 1.00 0.00 N ATOM 0 H LYS A 28 93.028 -10.978 5.561 1.00 0.00 H new ATOM 0 HA LYS A 28 93.871 -10.388 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 28 91.634 -9.543 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 28 92.437 -8.685 4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.718 -7.334 3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.045 -8.250 1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.391 -6.637 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.821 -6.080 2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.827 -8.173 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.759 -7.034 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.248 -9.591 1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 90.943 -8.400 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.849 -9.091 1.666 1.00 0.00 H new ATOM 447 N ARG A 29 95.890 -9.106 3.304 1.00 0.00 N ATOM 448 CA ARG A 29 97.182 -8.443 3.634 1.00 0.00 C ATOM 449 C ARG A 29 97.008 -6.913 3.635 1.00 0.00 C ATOM 450 O ARG A 29 96.019 -6.390 3.159 1.00 0.00 O ATOM 451 CB ARG A 29 98.224 -8.844 2.584 1.00 0.00 C ATOM 452 CG ARG A 29 98.455 -10.356 2.649 1.00 0.00 C ATOM 453 CD ARG A 29 99.533 -10.761 1.638 1.00 0.00 C ATOM 454 NE ARG A 29 99.019 -10.554 0.254 1.00 0.00 N ATOM 455 CZ ARG A 29 99.846 -10.573 -0.752 1.00 0.00 C ATOM 456 NH1 ARG A 29 101.121 -10.709 -0.536 1.00 0.00 N ATOM 457 NH2 ARG A 29 99.403 -10.450 -1.970 1.00 0.00 N ATOM 0 H ARG A 29 95.769 -9.337 2.318 1.00 0.00 H new ATOM 0 HA ARG A 29 97.511 -8.757 4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 29 97.882 -8.560 1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.159 -8.314 2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 29 98.761 -10.643 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 29 97.526 -10.884 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.435 -10.169 1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 29 99.808 -11.806 1.783 1.00 0.00 H new ATOM 0 HE ARG A 29 98.024 -10.398 0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.470 -10.800 0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 29 101.772 -10.724 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 29 98.404 -10.338 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 29 100.055 -10.466 -2.754 1.00 0.00 H new ATOM 471 N ASP A 30 97.970 -6.199 4.168 1.00 0.00 N ATOM 472 CA ASP A 30 97.887 -4.701 4.207 1.00 0.00 C ATOM 473 C ASP A 30 97.866 -4.129 2.788 1.00 0.00 C ATOM 474 O ASP A 30 98.543 -4.612 1.901 1.00 0.00 O ATOM 475 CB ASP A 30 99.102 -4.142 4.954 1.00 0.00 C ATOM 476 CG ASP A 30 98.974 -2.624 5.062 1.00 0.00 C ATOM 477 OD1 ASP A 30 98.141 -2.068 4.366 1.00 0.00 O ATOM 478 OD2 ASP A 30 99.719 -2.043 5.833 1.00 0.00 O ATOM 0 H ASP A 30 98.816 -6.591 4.581 1.00 0.00 H new ATOM 0 HA ASP A 30 96.968 -4.416 4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.167 -4.585 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 30 100.019 -4.404 4.427 1.00 0.00 H new ATOM 483 N GLY A 31 97.094 -3.096 2.575 1.00 0.00 N ATOM 484 CA GLY A 31 97.020 -2.472 1.221 1.00 0.00 C ATOM 485 C GLY A 31 95.754 -2.940 0.509 1.00 0.00 C ATOM 486 O GLY A 31 95.288 -2.327 -0.432 1.00 0.00 O ATOM 0 H GLY A 31 96.508 -2.655 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 31 97.019 -1.386 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.899 -2.743 0.636 1.00 0.00 H new ATOM 490 N THR A 32 95.189 -4.017 0.952 1.00 0.00 N ATOM 491 CA THR A 32 93.950 -4.521 0.305 1.00 0.00 C ATOM 492 C THR A 32 92.736 -4.045 1.101 1.00 0.00 C ATOM 493 O THR A 32 92.729 -4.101 2.315 1.00 0.00 O ATOM 494 CB THR A 32 93.982 -6.045 0.297 1.00 0.00 C ATOM 495 OG1 THR A 32 95.166 -6.487 -0.351 1.00 0.00 O ATOM 496 CG2 THR A 32 92.747 -6.587 -0.434 1.00 0.00 C ATOM 0 H THR A 32 95.529 -4.574 1.736 1.00 0.00 H new ATOM 0 HA THR A 32 93.885 -4.146 -0.716 1.00 0.00 H new ATOM 0 HB THR A 32 93.974 -6.416 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.190 -7.467 -0.356 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.775 -7.677 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.845 -6.248 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.742 -6.222 -1.461 1.00 0.00 H new ATOM 504 N PHE A 33 91.702 -3.584 0.447 1.00 0.00 N ATOM 505 CA PHE A 33 90.514 -3.133 1.217 1.00 0.00 C ATOM 506 C PHE A 33 89.238 -3.581 0.512 1.00 0.00 C ATOM 507 O PHE A 33 89.265 -4.093 -0.589 1.00 0.00 O ATOM 508 CB PHE A 33 90.506 -1.611 1.353 1.00 0.00 C ATOM 509 CG PHE A 33 89.690 -0.993 0.253 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.046 -1.161 -1.087 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.561 -0.247 0.589 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.265 -0.578 -2.086 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.785 0.333 -0.414 1.00 0.00 C ATOM 514 CZ PHE A 33 88.135 0.165 -1.745 1.00 0.00 C ATOM 0 H PHE A 33 91.631 -3.502 -0.567 1.00 0.00 H new ATOM 0 HA PHE A 33 90.561 -3.578 2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.096 -1.328 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.527 -1.230 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.920 -1.739 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.288 -0.118 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.536 -0.702 -3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.912 0.913 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.530 0.611 -2.521 1.00 0.00 H new ATOM 524 N LEU A 34 88.120 -3.381 1.149 1.00 0.00 N ATOM 525 CA LEU A 34 86.824 -3.789 0.534 1.00 0.00 C ATOM 526 C LEU A 34 85.760 -2.721 0.808 1.00 0.00 C ATOM 527 O LEU A 34 85.826 -2.009 1.787 1.00 0.00 O ATOM 528 CB LEU A 34 86.373 -5.116 1.157 1.00 0.00 C ATOM 529 CG LEU A 34 86.038 -4.904 2.642 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.600 -5.317 2.925 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.970 -5.750 3.502 1.00 0.00 C ATOM 0 H LEU A 34 88.046 -2.952 2.071 1.00 0.00 H new ATOM 0 HA LEU A 34 86.953 -3.903 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.500 -5.499 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 34 87.160 -5.863 1.055 1.00 0.00 H new ATOM 0 HG LEU A 34 86.164 -3.848 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.378 -5.161 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.923 -4.715 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.469 -6.371 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.731 -5.599 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.843 -6.803 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 34 88.003 -5.455 3.318 1.00 0.00 H new ATOM 543 N VAL A 35 84.764 -2.618 -0.033 1.00 0.00 N ATOM 544 CA VAL A 35 83.696 -1.608 0.209 1.00 0.00 C ATOM 545 C VAL A 35 82.455 -2.329 0.724 1.00 0.00 C ATOM 546 O VAL A 35 82.097 -3.388 0.247 1.00 0.00 O ATOM 547 CB VAL A 35 83.375 -0.854 -1.080 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.140 0.026 -0.868 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.571 0.023 -1.446 1.00 0.00 C ATOM 0 H VAL A 35 84.646 -3.187 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 35 84.035 -0.882 0.948 1.00 0.00 H new ATOM 0 HB VAL A 35 83.173 -1.563 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.913 0.563 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.290 -0.599 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.336 0.742 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.355 0.567 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.762 0.732 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.450 -0.604 -1.594 1.00 0.00 H new ATOM 559 N ARG A 36 81.813 -1.788 1.718 1.00 0.00 N ATOM 560 CA ARG A 36 80.622 -2.470 2.284 1.00 0.00 C ATOM 561 C ARG A 36 79.606 -1.416 2.714 1.00 0.00 C ATOM 562 O ARG A 36 79.748 -0.249 2.403 1.00 0.00 O ATOM 563 CB ARG A 36 81.077 -3.297 3.495 1.00 0.00 C ATOM 564 CG ARG A 36 80.247 -4.583 3.631 1.00 0.00 C ATOM 565 CD ARG A 36 79.090 -4.385 4.618 1.00 0.00 C ATOM 566 NE ARG A 36 77.792 -4.502 3.902 1.00 0.00 N ATOM 567 CZ ARG A 36 76.707 -4.769 4.571 1.00 0.00 C ATOM 568 NH1 ARG A 36 76.777 -5.084 5.836 1.00 0.00 N ATOM 569 NH2 ARG A 36 75.555 -4.761 3.963 1.00 0.00 N ATOM 0 H ARG A 36 82.062 -0.904 2.162 1.00 0.00 H new ATOM 0 HA ARG A 36 80.159 -3.125 1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 36 82.132 -3.551 3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 36 80.981 -2.701 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 36 79.854 -4.872 2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 36 80.885 -5.398 3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 36 79.146 -5.129 5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 36 79.168 -3.407 5.092 1.00 0.00 H new ATOM 0 HE ARG A 36 77.752 -4.374 2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 36 77.683 -5.121 6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 36 75.926 -5.293 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 36 75.505 -4.546 2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 36 74.703 -4.970 4.483 1.00 0.00 H new ATOM 583 N GLU A 37 78.579 -1.801 3.417 1.00 0.00 N ATOM 584 CA GLU A 37 77.578 -0.801 3.849 1.00 0.00 C ATOM 585 C GLU A 37 77.852 -0.451 5.308 1.00 0.00 C ATOM 586 O GLU A 37 78.766 -0.972 5.917 1.00 0.00 O ATOM 587 CB GLU A 37 76.179 -1.404 3.716 1.00 0.00 C ATOM 588 CG GLU A 37 76.106 -2.216 2.424 1.00 0.00 C ATOM 589 CD GLU A 37 74.652 -2.327 1.970 1.00 0.00 C ATOM 590 OE1 GLU A 37 73.796 -1.798 2.660 1.00 0.00 O ATOM 591 OE2 GLU A 37 74.419 -2.938 0.940 1.00 0.00 O ATOM 0 H GLU A 37 78.394 -2.761 3.708 1.00 0.00 H new ATOM 0 HA GLU A 37 77.640 0.096 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.961 -2.041 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.428 -0.614 3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.704 -1.738 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.525 -3.210 2.583 1.00 0.00 H new ATOM 598 N SER A 38 77.056 0.398 5.889 1.00 0.00 N ATOM 599 CA SER A 38 77.265 0.727 7.317 1.00 0.00 C ATOM 600 C SER A 38 76.693 -0.446 8.092 1.00 0.00 C ATOM 601 O SER A 38 76.462 -0.388 9.282 1.00 0.00 O ATOM 602 CB SER A 38 76.511 2.007 7.683 1.00 0.00 C ATOM 603 OG SER A 38 76.998 3.085 6.896 1.00 0.00 O ATOM 0 H SER A 38 76.275 0.874 5.438 1.00 0.00 H new ATOM 0 HA SER A 38 78.319 0.892 7.541 1.00 0.00 H new ATOM 0 HB2 SER A 38 75.442 1.873 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.641 2.228 8.742 1.00 0.00 H new ATOM 0 HG SER A 38 77.135 3.870 7.466 1.00 0.00 H new ATOM 609 N SER A 39 76.455 -1.516 7.382 1.00 0.00 N ATOM 610 CA SER A 39 75.889 -2.741 7.998 1.00 0.00 C ATOM 611 C SER A 39 74.503 -2.427 8.557 1.00 0.00 C ATOM 612 O SER A 39 73.962 -3.176 9.345 1.00 0.00 O ATOM 613 CB SER A 39 76.791 -3.226 9.134 1.00 0.00 C ATOM 614 OG SER A 39 78.093 -3.489 8.630 1.00 0.00 O ATOM 0 H SER A 39 76.634 -1.589 6.381 1.00 0.00 H new ATOM 0 HA SER A 39 75.819 -3.521 7.240 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.840 -2.472 9.920 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.375 -4.128 9.583 1.00 0.00 H new ATOM 0 HG SER A 39 78.104 -4.366 8.194 1.00 0.00 H new ATOM 620 N LYS A 40 73.929 -1.324 8.159 1.00 0.00 N ATOM 621 CA LYS A 40 72.580 -0.964 8.670 1.00 0.00 C ATOM 622 C LYS A 40 72.048 0.257 7.909 1.00 0.00 C ATOM 623 O LYS A 40 71.208 0.143 7.040 1.00 0.00 O ATOM 624 CB LYS A 40 72.672 -0.637 10.158 1.00 0.00 C ATOM 625 CG LYS A 40 71.271 -0.349 10.692 1.00 0.00 C ATOM 626 CD LYS A 40 71.036 -1.131 11.978 1.00 0.00 C ATOM 627 CE LYS A 40 69.611 -0.875 12.451 1.00 0.00 C ATOM 628 NZ LYS A 40 68.645 -1.410 11.444 1.00 0.00 N ATOM 0 H LYS A 40 74.337 -0.659 7.503 1.00 0.00 H new ATOM 0 HA LYS A 40 71.901 -1.804 8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 40 73.117 -1.471 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 40 73.319 0.226 10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 40 71.156 0.719 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 40 70.525 -0.624 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 40 71.192 -2.196 11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 40 71.749 -0.824 12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 40 69.446 -1.352 13.417 1.00 0.00 H new ATOM 0 HE3 LYS A 40 69.450 0.194 12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 67.909 -1.962 11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 68.204 -0.620 10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 69.149 -2.021 10.770 1.00 0.00 H new ATOM 642 N GLN A 41 72.528 1.425 8.232 1.00 0.00 N ATOM 643 CA GLN A 41 72.048 2.648 7.529 1.00 0.00 C ATOM 644 C GLN A 41 72.349 2.540 6.034 1.00 0.00 C ATOM 645 O GLN A 41 73.327 1.945 5.625 1.00 0.00 O ATOM 646 CB GLN A 41 72.755 3.872 8.107 1.00 0.00 C ATOM 647 CG GLN A 41 72.312 4.066 9.552 1.00 0.00 C ATOM 648 CD GLN A 41 73.031 5.268 10.148 1.00 0.00 C ATOM 649 OE1 GLN A 41 74.057 5.688 9.650 1.00 0.00 O ATOM 650 NE2 GLN A 41 72.532 5.845 11.203 1.00 0.00 N ATOM 0 H GLN A 41 73.232 1.586 8.952 1.00 0.00 H new ATOM 0 HA GLN A 41 70.972 2.747 7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 41 73.836 3.740 8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 41 72.516 4.758 7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 41 71.233 4.216 9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 41 72.533 3.171 10.134 1.00 0.00 H new ATOM 0 HE21 GLN A 41 71.671 5.490 11.619 1.00 0.00 H new ATOM 0 HE22 GLN A 41 73.002 6.652 11.614 1.00 0.00 H new ATOM 659 N GLY A 42 71.509 3.116 5.219 1.00 0.00 N ATOM 660 CA GLY A 42 71.725 3.059 3.748 1.00 0.00 C ATOM 661 C GLY A 42 73.043 3.746 3.394 1.00 0.00 C ATOM 662 O GLY A 42 73.335 3.978 2.238 1.00 0.00 O ATOM 0 H GLY A 42 70.677 3.627 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 42 71.743 2.022 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 42 70.899 3.547 3.230 1.00 0.00 H new ATOM 666 N CYS A 43 73.841 4.078 4.372 1.00 0.00 N ATOM 667 CA CYS A 43 75.135 4.754 4.069 1.00 0.00 C ATOM 668 C CYS A 43 76.164 3.701 3.639 1.00 0.00 C ATOM 669 O CYS A 43 75.935 2.511 3.761 1.00 0.00 O ATOM 670 CB CYS A 43 75.641 5.496 5.309 1.00 0.00 C ATOM 671 SG CYS A 43 74.483 6.821 5.747 1.00 0.00 S ATOM 0 H CYS A 43 73.655 3.912 5.361 1.00 0.00 H new ATOM 0 HA CYS A 43 74.988 5.474 3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 43 75.745 4.801 6.142 1.00 0.00 H new ATOM 0 HB3 CYS A 43 76.629 5.913 5.116 1.00 0.00 H new ATOM 0 HG CYS A 43 74.917 7.445 6.801 1.00 0.00 H new ATOM 677 N TYR A 44 77.291 4.121 3.120 1.00 0.00 N ATOM 678 CA TYR A 44 78.316 3.131 2.668 1.00 0.00 C ATOM 679 C TYR A 44 79.525 3.131 3.613 1.00 0.00 C ATOM 680 O TYR A 44 79.804 4.094 4.299 1.00 0.00 O ATOM 681 CB TYR A 44 78.767 3.472 1.241 1.00 0.00 C ATOM 682 CG TYR A 44 77.589 3.348 0.307 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.732 4.433 0.128 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.352 2.147 -0.374 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.630 4.323 -0.730 1.00 0.00 C ATOM 686 CE2 TYR A 44 76.249 2.035 -1.234 1.00 0.00 C ATOM 687 CZ TYR A 44 75.389 3.121 -1.412 1.00 0.00 C ATOM 688 OH TYR A 44 74.298 3.005 -2.254 1.00 0.00 O ATOM 0 H TYR A 44 77.544 5.100 2.990 1.00 0.00 H new ATOM 0 HA TYR A 44 77.870 2.136 2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 44 79.170 4.484 1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.566 2.800 0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 44 76.918 5.359 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 44 78.018 1.308 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 44 74.966 5.164 -0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 44 76.065 1.109 -1.758 1.00 0.00 H new ATOM 0 HH TYR A 44 74.281 2.107 -2.646 1.00 0.00 H new ATOM 698 N ALA A 45 80.240 2.036 3.651 1.00 0.00 N ATOM 699 CA ALA A 45 81.431 1.942 4.546 1.00 0.00 C ATOM 700 C ALA A 45 82.396 0.898 3.988 1.00 0.00 C ATOM 701 O ALA A 45 82.018 -0.218 3.689 1.00 0.00 O ATOM 702 CB ALA A 45 80.989 1.534 5.956 1.00 0.00 C ATOM 0 H ALA A 45 80.049 1.200 3.098 1.00 0.00 H new ATOM 0 HA ALA A 45 81.928 2.911 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 45 81.862 1.467 6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.299 2.280 6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.491 0.565 5.915 1.00 0.00 H new ATOM 708 N CYS A 46 83.643 1.248 3.852 1.00 0.00 N ATOM 709 CA CYS A 46 84.628 0.275 3.322 1.00 0.00 C ATOM 710 C CYS A 46 85.607 -0.075 4.431 1.00 0.00 C ATOM 711 O CYS A 46 85.823 0.689 5.347 1.00 0.00 O ATOM 712 CB CYS A 46 85.389 0.889 2.133 1.00 0.00 C ATOM 713 SG CYS A 46 86.479 2.209 2.717 1.00 0.00 S ATOM 0 H CYS A 46 84.020 2.166 4.086 1.00 0.00 H new ATOM 0 HA CYS A 46 84.112 -0.622 2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 46 85.973 0.120 1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 46 84.683 1.285 1.403 1.00 0.00 H new ATOM 0 HG CYS A 46 87.120 2.721 1.708 1.00 0.00 H new ATOM 719 N SER A 47 86.195 -1.228 4.352 1.00 0.00 N ATOM 720 CA SER A 47 87.167 -1.645 5.403 1.00 0.00 C ATOM 721 C SER A 47 88.538 -1.862 4.771 1.00 0.00 C ATOM 722 O SER A 47 88.654 -2.356 3.668 1.00 0.00 O ATOM 723 CB SER A 47 86.695 -2.948 6.057 1.00 0.00 C ATOM 724 OG SER A 47 85.440 -2.729 6.688 1.00 0.00 O ATOM 0 H SER A 47 86.047 -1.906 3.604 1.00 0.00 H new ATOM 0 HA SER A 47 87.234 -0.865 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 47 86.606 -3.733 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 47 87.428 -3.288 6.788 1.00 0.00 H new ATOM 0 HG SER A 47 85.447 -3.134 7.580 1.00 0.00 H new ATOM 730 N VAL A 48 89.581 -1.505 5.466 1.00 0.00 N ATOM 731 CA VAL A 48 90.943 -1.702 4.911 1.00 0.00 C ATOM 732 C VAL A 48 91.819 -2.350 5.973 1.00 0.00 C ATOM 733 O VAL A 48 91.516 -2.318 7.150 1.00 0.00 O ATOM 734 CB VAL A 48 91.557 -0.361 4.510 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.316 0.665 5.614 1.00 0.00 C ATOM 736 CG2 VAL A 48 93.065 -0.534 4.296 1.00 0.00 C ATOM 0 H VAL A 48 89.546 -1.085 6.395 1.00 0.00 H new ATOM 0 HA VAL A 48 90.878 -2.339 4.029 1.00 0.00 H new ATOM 0 HB VAL A 48 91.094 -0.014 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 48 91.755 1.620 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 48 90.244 0.790 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 48 91.777 0.319 6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.504 0.422 4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.526 -0.883 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 48 93.239 -1.264 3.506 1.00 0.00 H new ATOM 746 N VAL A 49 92.904 -2.930 5.573 1.00 0.00 N ATOM 747 CA VAL A 49 93.808 -3.574 6.556 1.00 0.00 C ATOM 748 C VAL A 49 95.148 -2.864 6.521 1.00 0.00 C ATOM 749 O VAL A 49 95.698 -2.624 5.465 1.00 0.00 O ATOM 750 CB VAL A 49 94.013 -5.032 6.185 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.882 -5.700 7.245 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.659 -5.725 6.112 1.00 0.00 C ATOM 0 H VAL A 49 93.208 -2.988 4.601 1.00 0.00 H new ATOM 0 HA VAL A 49 93.370 -3.512 7.552 1.00 0.00 H new ATOM 0 HB VAL A 49 94.507 -5.105 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.033 -6.748 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.847 -5.196 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.388 -5.635 8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.800 -6.773 5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.164 -5.660 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.042 -5.239 5.357 1.00 0.00 H new ATOM 762 N VAL A 50 95.689 -2.519 7.650 1.00 0.00 N ATOM 763 CA VAL A 50 97.001 -1.827 7.630 1.00 0.00 C ATOM 764 C VAL A 50 98.060 -2.687 8.306 1.00 0.00 C ATOM 765 O VAL A 50 97.767 -3.641 9.000 1.00 0.00 O ATOM 766 CB VAL A 50 96.906 -0.479 8.338 1.00 0.00 C ATOM 767 CG1 VAL A 50 96.691 -0.702 9.831 1.00 0.00 C ATOM 768 CG2 VAL A 50 98.205 0.299 8.118 1.00 0.00 C ATOM 0 H VAL A 50 95.287 -2.683 8.573 1.00 0.00 H new ATOM 0 HA VAL A 50 97.284 -1.660 6.591 1.00 0.00 H new ATOM 0 HB VAL A 50 96.068 0.088 7.934 1.00 0.00 H new ATOM 0 HG11 VAL A 50 96.623 0.261 10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 50 95.767 -1.259 9.986 1.00 0.00 H new ATOM 0 HG13 VAL A 50 97.529 -1.268 10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 50 98.141 1.263 8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 50 99.042 -0.269 8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 50 98.358 0.457 7.050 1.00 0.00 H new ATOM 778 N ASP A 51 99.292 -2.341 8.077 1.00 0.00 N ATOM 779 CA ASP A 51 100.436 -3.099 8.654 1.00 0.00 C ATOM 780 C ASP A 51 100.376 -3.102 10.178 1.00 0.00 C ATOM 781 O ASP A 51 101.388 -3.199 10.841 1.00 0.00 O ATOM 782 CB ASP A 51 101.741 -2.445 8.199 1.00 0.00 C ATOM 783 CG ASP A 51 101.940 -2.700 6.705 1.00 0.00 C ATOM 784 OD1 ASP A 51 101.329 -3.625 6.198 1.00 0.00 O ATOM 785 OD2 ASP A 51 102.698 -1.966 6.093 1.00 0.00 O ATOM 0 H ASP A 51 99.562 -1.545 7.500 1.00 0.00 H new ATOM 0 HA ASP A 51 100.386 -4.131 8.307 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.712 -1.373 8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 51 102.581 -2.850 8.764 1.00 0.00 H new ATOM 790 N GLY A 52 99.210 -3.004 10.744 1.00 0.00 N ATOM 791 CA GLY A 52 99.120 -3.014 12.224 1.00 0.00 C ATOM 792 C GLY A 52 97.747 -3.513 12.677 1.00 0.00 C ATOM 793 O GLY A 52 97.639 -4.208 13.665 1.00 0.00 O ATOM 0 H GLY A 52 98.322 -2.918 10.250 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.900 -3.654 12.637 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.294 -2.010 12.611 1.00 0.00 H new ATOM 797 N GLU A 53 96.688 -3.160 11.989 1.00 0.00 N ATOM 798 CA GLU A 53 95.337 -3.628 12.453 1.00 0.00 C ATOM 799 C GLU A 53 94.292 -3.591 11.341 1.00 0.00 C ATOM 800 O GLU A 53 94.459 -2.946 10.327 1.00 0.00 O ATOM 801 CB GLU A 53 94.835 -2.730 13.586 1.00 0.00 C ATOM 802 CG GLU A 53 95.627 -3.010 14.863 1.00 0.00 C ATOM 803 CD GLU A 53 96.930 -2.208 14.855 1.00 0.00 C ATOM 804 OE1 GLU A 53 97.055 -1.323 14.025 1.00 0.00 O ATOM 805 OE2 GLU A 53 97.786 -2.501 15.675 1.00 0.00 O ATOM 0 H GLU A 53 96.694 -2.583 11.148 1.00 0.00 H new ATOM 0 HA GLU A 53 95.464 -4.658 12.785 1.00 0.00 H new ATOM 0 HB2 GLU A 53 94.941 -1.682 13.305 1.00 0.00 H new ATOM 0 HB3 GLU A 53 93.774 -2.908 13.760 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.031 -2.744 15.736 1.00 0.00 H new ATOM 0 HG3 GLU A 53 95.846 -4.075 14.939 1.00 0.00 H new ATOM 812 N VAL A 54 93.186 -4.264 11.559 1.00 0.00 N ATOM 813 CA VAL A 54 92.083 -4.256 10.558 1.00 0.00 C ATOM 814 C VAL A 54 91.158 -3.076 10.879 1.00 0.00 C ATOM 815 O VAL A 54 90.922 -2.761 12.030 1.00 0.00 O ATOM 816 CB VAL A 54 91.295 -5.569 10.627 1.00 0.00 C ATOM 817 CG1 VAL A 54 90.113 -5.495 9.664 1.00 0.00 C ATOM 818 CG2 VAL A 54 92.199 -6.738 10.227 1.00 0.00 C ATOM 0 H VAL A 54 93.004 -4.820 12.394 1.00 0.00 H new ATOM 0 HA VAL A 54 92.492 -4.156 9.553 1.00 0.00 H new ATOM 0 HB VAL A 54 90.936 -5.723 11.645 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.549 -6.426 9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.466 -4.664 9.946 1.00 0.00 H new ATOM 0 HG13 VAL A 54 90.480 -5.341 8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 54 91.634 -7.669 10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 54 92.560 -6.587 9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 54 93.048 -6.791 10.909 1.00 0.00 H new ATOM 828 N LYS A 55 90.658 -2.396 9.883 1.00 0.00 N ATOM 829 CA LYS A 55 89.787 -1.217 10.159 1.00 0.00 C ATOM 830 C LYS A 55 88.486 -1.269 9.339 1.00 0.00 C ATOM 831 O LYS A 55 88.356 -2.021 8.392 1.00 0.00 O ATOM 832 CB LYS A 55 90.574 0.044 9.807 1.00 0.00 C ATOM 833 CG LYS A 55 91.798 0.131 10.718 1.00 0.00 C ATOM 834 CD LYS A 55 92.981 -0.529 10.018 1.00 0.00 C ATOM 835 CE LYS A 55 93.627 0.468 9.061 1.00 0.00 C ATOM 836 NZ LYS A 55 93.866 -0.201 7.752 1.00 0.00 N ATOM 0 H LYS A 55 90.813 -2.604 8.896 1.00 0.00 H new ATOM 0 HA LYS A 55 89.505 -1.218 11.212 1.00 0.00 H new ATOM 0 HB2 LYS A 55 90.883 0.017 8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 55 89.947 0.927 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.027 1.172 10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.597 -0.365 11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.710 -0.867 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 55 92.648 -1.411 9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 55 92.980 1.335 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.567 0.832 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 93.862 0.510 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 94.788 -0.682 7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 93.115 -0.899 7.577 1.00 0.00 H new ATOM 850 N HIS A 56 87.527 -0.455 9.704 1.00 0.00 N ATOM 851 CA HIS A 56 86.229 -0.417 8.964 1.00 0.00 C ATOM 852 C HIS A 56 85.918 1.035 8.590 1.00 0.00 C ATOM 853 O HIS A 56 85.090 1.682 9.204 1.00 0.00 O ATOM 854 CB HIS A 56 85.095 -0.969 9.840 1.00 0.00 C ATOM 855 CG HIS A 56 85.353 -2.418 10.141 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.646 -3.332 9.145 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.347 -3.130 11.313 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.800 -4.533 9.728 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.627 -4.466 11.050 1.00 0.00 N ATOM 0 H HIS A 56 87.589 0.191 10.491 1.00 0.00 H new ATOM 0 HA HIS A 56 86.309 -1.032 8.068 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.028 -0.400 10.768 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.139 -0.858 9.328 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.154 -2.716 12.292 1.00 0.00 H new ATOM 0 HE1 HIS A 56 86.035 -5.441 9.193 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.687 -5.231 11.722 1.00 0.00 H new ATOM 867 N CYS A 57 86.587 1.560 7.594 1.00 0.00 N ATOM 868 CA CYS A 57 86.340 2.977 7.187 1.00 0.00 C ATOM 869 C CYS A 57 84.866 3.164 6.855 1.00 0.00 C ATOM 870 O CYS A 57 84.264 2.362 6.169 1.00 0.00 O ATOM 871 CB CYS A 57 87.185 3.324 5.957 1.00 0.00 C ATOM 872 SG CYS A 57 86.943 5.067 5.521 1.00 0.00 S ATOM 0 H CYS A 57 87.293 1.069 7.046 1.00 0.00 H new ATOM 0 HA CYS A 57 86.617 3.635 8.010 1.00 0.00 H new ATOM 0 HB2 CYS A 57 88.238 3.133 6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.903 2.687 5.119 1.00 0.00 H new ATOM 0 HG CYS A 57 87.663 5.358 4.479 1.00 0.00 H new ATOM 878 N VAL A 58 84.283 4.219 7.350 1.00 0.00 N ATOM 879 CA VAL A 58 82.844 4.478 7.087 1.00 0.00 C ATOM 880 C VAL A 58 82.691 5.549 6.000 1.00 0.00 C ATOM 881 O VAL A 58 83.337 6.578 6.025 1.00 0.00 O ATOM 882 CB VAL A 58 82.182 4.954 8.386 1.00 0.00 C ATOM 883 CG1 VAL A 58 81.012 5.897 8.073 1.00 0.00 C ATOM 884 CG2 VAL A 58 81.656 3.738 9.149 1.00 0.00 C ATOM 0 H VAL A 58 84.747 4.918 7.930 1.00 0.00 H new ATOM 0 HA VAL A 58 82.364 3.562 6.741 1.00 0.00 H new ATOM 0 HB VAL A 58 82.917 5.489 8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 58 80.552 6.227 9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 58 81.380 6.763 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 58 80.273 5.371 7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 58 81.183 4.066 10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.925 3.211 8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 58 82.484 3.068 9.382 1.00 0.00 H new ATOM 894 N ILE A 59 81.823 5.315 5.055 1.00 0.00 N ATOM 895 CA ILE A 59 81.597 6.317 3.976 1.00 0.00 C ATOM 896 C ILE A 59 80.218 6.956 4.204 1.00 0.00 C ATOM 897 O ILE A 59 79.234 6.265 4.397 1.00 0.00 O ATOM 898 CB ILE A 59 81.638 5.630 2.606 1.00 0.00 C ATOM 899 CG1 ILE A 59 82.971 4.880 2.434 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.508 6.683 1.501 1.00 0.00 C ATOM 901 CD1 ILE A 59 84.148 5.847 2.591 1.00 0.00 C ATOM 0 H ILE A 59 81.258 4.469 4.984 1.00 0.00 H new ATOM 0 HA ILE A 59 82.375 7.080 3.999 1.00 0.00 H new ATOM 0 HB ILE A 59 80.813 4.921 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.046 4.082 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.007 4.409 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.537 6.194 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.562 7.213 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.332 7.392 1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 59 85.085 5.303 2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 59 84.080 6.629 1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 59 84.119 6.298 3.583 1.00 0.00 H new ATOM 913 N ASN A 60 80.133 8.262 4.211 1.00 0.00 N ATOM 914 CA ASN A 60 78.812 8.917 4.459 1.00 0.00 C ATOM 915 C ASN A 60 78.345 9.681 3.222 1.00 0.00 C ATOM 916 O ASN A 60 79.049 10.520 2.697 1.00 0.00 O ATOM 917 CB ASN A 60 78.958 9.896 5.621 1.00 0.00 C ATOM 918 CG ASN A 60 79.231 9.123 6.907 1.00 0.00 C ATOM 919 OD1 ASN A 60 78.465 8.256 7.281 1.00 0.00 O ATOM 920 ND2 ASN A 60 80.296 9.398 7.606 1.00 0.00 N ATOM 0 H ASN A 60 80.914 8.899 4.057 1.00 0.00 H new ATOM 0 HA ASN A 60 78.076 8.148 4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.773 10.593 5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.050 10.489 5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.487 8.886 8.467 1.00 0.00 H new ATOM 0 HD22 ASN A 60 80.938 10.125 7.292 1.00 0.00 H new ATOM 927 N LYS A 61 77.154 9.416 2.762 1.00 0.00 N ATOM 928 CA LYS A 61 76.650 10.147 1.569 1.00 0.00 C ATOM 929 C LYS A 61 75.514 11.079 1.985 1.00 0.00 C ATOM 930 O LYS A 61 74.513 10.660 2.531 1.00 0.00 O ATOM 931 CB LYS A 61 76.145 9.147 0.528 1.00 0.00 C ATOM 932 CG LYS A 61 75.722 9.891 -0.741 1.00 0.00 C ATOM 933 CD LYS A 61 75.139 8.895 -1.743 1.00 0.00 C ATOM 934 CE LYS A 61 74.735 9.634 -3.018 1.00 0.00 C ATOM 935 NZ LYS A 61 74.333 8.645 -4.058 1.00 0.00 N ATOM 0 H LYS A 61 76.512 8.729 3.158 1.00 0.00 H new ATOM 0 HA LYS A 61 77.459 10.736 1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 61 76.927 8.425 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 61 75.302 8.585 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 61 74.983 10.655 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 61 76.579 10.404 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 61 75.873 8.123 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 61 74.273 8.393 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 61 73.910 10.315 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 61 75.566 10.240 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 74.058 9.147 -4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 75.132 8.012 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 73.528 8.085 -3.712 1.00 0.00 H new ATOM 949 N THR A 62 75.666 12.342 1.723 1.00 0.00 N ATOM 950 CA THR A 62 74.609 13.324 2.086 1.00 0.00 C ATOM 951 C THR A 62 74.127 14.000 0.801 1.00 0.00 C ATOM 952 O THR A 62 73.118 14.678 0.774 1.00 0.00 O ATOM 953 CB THR A 62 75.195 14.354 3.057 1.00 0.00 C ATOM 954 OG1 THR A 62 75.543 13.705 4.272 1.00 0.00 O ATOM 955 CG2 THR A 62 74.170 15.450 3.345 1.00 0.00 C ATOM 0 H THR A 62 76.486 12.743 1.268 1.00 0.00 H new ATOM 0 HA THR A 62 73.767 12.832 2.573 1.00 0.00 H new ATOM 0 HB THR A 62 76.080 14.805 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 62 75.920 14.360 4.896 1.00 0.00 H new ATOM 0 HG21 THR A 62 74.598 16.176 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 62 73.901 15.950 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 62 73.279 15.007 3.790 1.00 0.00 H new ATOM 963 N ALA A 63 74.855 13.800 -0.266 1.00 0.00 N ATOM 964 CA ALA A 63 74.489 14.398 -1.582 1.00 0.00 C ATOM 965 C ALA A 63 75.757 14.522 -2.415 1.00 0.00 C ATOM 966 O ALA A 63 75.809 14.128 -3.564 1.00 0.00 O ATOM 967 CB ALA A 63 73.878 15.783 -1.382 1.00 0.00 C ATOM 0 H ALA A 63 75.705 13.236 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 63 73.758 13.765 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 63 73.615 16.208 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 63 72.982 15.700 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 63 74.600 16.431 -0.885 1.00 0.00 H new ATOM 973 N THR A 64 76.786 15.060 -1.831 1.00 0.00 N ATOM 974 CA THR A 64 78.065 15.206 -2.564 1.00 0.00 C ATOM 975 C THR A 64 79.210 15.230 -1.547 1.00 0.00 C ATOM 976 O THR A 64 79.950 16.187 -1.445 1.00 0.00 O ATOM 977 CB THR A 64 78.033 16.505 -3.381 1.00 0.00 C ATOM 978 OG1 THR A 64 76.891 16.481 -4.234 1.00 0.00 O ATOM 979 CG2 THR A 64 79.307 16.610 -4.224 1.00 0.00 C ATOM 0 H THR A 64 76.794 15.406 -0.872 1.00 0.00 H new ATOM 0 HA THR A 64 78.214 14.371 -3.249 1.00 0.00 H new ATOM 0 HB THR A 64 77.977 17.365 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 64 76.596 15.555 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 64 79.284 17.532 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 64 80.178 16.615 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 64 79.367 15.757 -4.900 1.00 0.00 H new ATOM 987 N GLY A 65 79.356 14.182 -0.778 1.00 0.00 N ATOM 988 CA GLY A 65 80.448 14.160 0.238 1.00 0.00 C ATOM 989 C GLY A 65 81.018 12.745 0.378 1.00 0.00 C ATOM 990 O GLY A 65 82.217 12.548 0.353 1.00 0.00 O ATOM 0 H GLY A 65 78.771 13.347 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 65 81.239 14.850 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 65 80.066 14.502 1.200 1.00 0.00 H new ATOM 994 N TYR A 66 80.172 11.761 0.544 1.00 0.00 N ATOM 995 CA TYR A 66 80.673 10.365 0.703 1.00 0.00 C ATOM 996 C TYR A 66 81.605 10.302 1.917 1.00 0.00 C ATOM 997 O TYR A 66 81.285 10.792 2.981 1.00 0.00 O ATOM 998 CB TYR A 66 81.421 9.939 -0.563 1.00 0.00 C ATOM 999 CG TYR A 66 80.442 9.841 -1.709 1.00 0.00 C ATOM 1000 CD1 TYR A 66 79.663 8.684 -1.878 1.00 0.00 C ATOM 1001 CD2 TYR A 66 80.304 10.910 -2.600 1.00 0.00 C ATOM 1002 CE1 TYR A 66 78.755 8.603 -2.941 1.00 0.00 C ATOM 1003 CE2 TYR A 66 79.395 10.828 -3.660 1.00 0.00 C ATOM 1004 CZ TYR A 66 78.622 9.676 -3.830 1.00 0.00 C ATOM 1005 OH TYR A 66 77.724 9.599 -4.873 1.00 0.00 O ATOM 0 H TYR A 66 79.158 11.865 0.576 1.00 0.00 H new ATOM 0 HA TYR A 66 79.835 9.686 0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 66 82.203 10.661 -0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 66 81.911 8.978 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 66 79.764 7.858 -1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 66 80.901 11.801 -2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 66 78.158 7.713 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 66 79.290 11.655 -4.347 1.00 0.00 H new ATOM 0 HH TYR A 66 77.756 10.428 -5.394 1.00 0.00 H new ATOM 1015 N GLY A 67 82.750 9.700 1.773 1.00 0.00 N ATOM 1016 CA GLY A 67 83.695 9.598 2.925 1.00 0.00 C ATOM 1017 C GLY A 67 84.088 10.993 3.425 1.00 0.00 C ATOM 1018 O GLY A 67 83.315 11.930 3.364 1.00 0.00 O ATOM 0 H GLY A 67 83.076 9.272 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 67 83.231 9.033 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 67 84.587 9.049 2.623 1.00 0.00 H new ATOM 1022 N PHE A 68 85.284 11.143 3.932 1.00 0.00 N ATOM 1023 CA PHE A 68 85.707 12.480 4.437 1.00 0.00 C ATOM 1024 C PHE A 68 85.886 13.442 3.259 1.00 0.00 C ATOM 1025 O PHE A 68 86.543 13.133 2.287 1.00 0.00 O ATOM 1026 CB PHE A 68 87.032 12.357 5.183 1.00 0.00 C ATOM 1027 CG PHE A 68 88.048 11.698 4.286 1.00 0.00 C ATOM 1028 CD1 PHE A 68 88.841 12.467 3.426 1.00 0.00 C ATOM 1029 CD2 PHE A 68 88.197 10.311 4.320 1.00 0.00 C ATOM 1030 CE1 PHE A 68 89.785 11.844 2.598 1.00 0.00 C ATOM 1031 CE2 PHE A 68 89.138 9.687 3.498 1.00 0.00 C ATOM 1032 CZ PHE A 68 89.934 10.451 2.634 1.00 0.00 C ATOM 0 H PHE A 68 85.981 10.403 4.017 1.00 0.00 H new ATOM 0 HA PHE A 68 84.941 12.861 5.113 1.00 0.00 H new ATOM 0 HB2 PHE A 68 87.384 13.343 5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 68 86.898 11.771 6.092 1.00 0.00 H new ATOM 0 HD1 PHE A 68 88.725 13.540 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 68 87.584 9.719 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 68 90.396 12.436 1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 68 89.252 8.614 3.528 1.00 0.00 H new ATOM 0 HZ PHE A 68 90.660 9.968 1.998 1.00 0.00 H new ATOM 1042 N ALA A 69 85.311 14.608 3.340 1.00 0.00 N ATOM 1043 CA ALA A 69 85.454 15.588 2.221 1.00 0.00 C ATOM 1044 C ALA A 69 86.082 16.879 2.742 1.00 0.00 C ATOM 1045 O ALA A 69 85.757 17.354 3.812 1.00 0.00 O ATOM 1046 CB ALA A 69 84.077 15.898 1.636 1.00 0.00 C ATOM 0 H ALA A 69 84.749 14.927 4.129 1.00 0.00 H new ATOM 0 HA ALA A 69 86.093 15.160 1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 69 84.181 16.613 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 69 83.627 14.980 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 69 83.440 16.323 2.411 1.00 0.00 H new ATOM 1052 N GLU A 70 86.974 17.456 1.987 1.00 0.00 N ATOM 1053 CA GLU A 70 87.618 18.725 2.424 1.00 0.00 C ATOM 1054 C GLU A 70 86.571 19.847 2.349 1.00 0.00 C ATOM 1055 O GLU A 70 85.602 19.729 1.630 1.00 0.00 O ATOM 1056 CB GLU A 70 88.788 19.029 1.480 1.00 0.00 C ATOM 1057 CG GLU A 70 89.893 17.990 1.682 1.00 0.00 C ATOM 1058 CD GLU A 70 91.024 18.248 0.687 1.00 0.00 C ATOM 1059 OE1 GLU A 70 90.724 18.461 -0.476 1.00 0.00 O ATOM 1060 OE2 GLU A 70 92.171 18.228 1.104 1.00 0.00 O ATOM 0 H GLU A 70 87.286 17.102 1.083 1.00 0.00 H new ATOM 0 HA GLU A 70 87.992 18.644 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 70 88.447 19.015 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 70 89.175 20.029 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 70 90.273 18.042 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 70 89.493 16.986 1.541 1.00 0.00 H new ATOM 1067 N PRO A 71 86.745 20.924 3.079 1.00 0.00 N ATOM 1068 CA PRO A 71 85.785 22.055 3.069 1.00 0.00 C ATOM 1069 C PRO A 71 85.102 22.198 1.708 1.00 0.00 C ATOM 1070 O PRO A 71 83.993 22.686 1.598 1.00 0.00 O ATOM 1071 CB PRO A 71 86.671 23.260 3.371 1.00 0.00 C ATOM 1072 CG PRO A 71 87.837 22.722 4.158 1.00 0.00 C ATOM 1073 CD PRO A 71 87.859 21.193 3.990 1.00 0.00 C ATOM 0 HA PRO A 71 84.971 21.929 3.783 1.00 0.00 H new ATOM 0 HB2 PRO A 71 87.007 23.739 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 71 86.127 24.012 3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 71 88.771 23.158 3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 71 87.742 22.988 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 71 88.807 20.850 3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 71 87.727 20.684 4.945 1.00 0.00 H new ATOM 1081 N TYR A 72 85.754 21.742 0.676 1.00 0.00 N ATOM 1082 CA TYR A 72 85.162 21.800 -0.686 1.00 0.00 C ATOM 1083 C TYR A 72 85.050 20.375 -1.209 1.00 0.00 C ATOM 1084 O TYR A 72 86.036 19.681 -1.379 1.00 0.00 O ATOM 1085 CB TYR A 72 86.067 22.614 -1.614 1.00 0.00 C ATOM 1086 CG TYR A 72 86.100 24.055 -1.163 1.00 0.00 C ATOM 1087 CD1 TYR A 72 87.020 24.455 -0.191 1.00 0.00 C ATOM 1088 CD2 TYR A 72 85.218 24.989 -1.721 1.00 0.00 C ATOM 1089 CE1 TYR A 72 87.062 25.789 0.227 1.00 0.00 C ATOM 1090 CE2 TYR A 72 85.258 26.324 -1.304 1.00 0.00 C ATOM 1091 CZ TYR A 72 86.180 26.724 -0.329 1.00 0.00 C ATOM 1092 OH TYR A 72 86.216 28.042 0.081 1.00 0.00 O ATOM 0 H TYR A 72 86.684 21.326 0.721 1.00 0.00 H new ATOM 0 HA TYR A 72 84.181 22.275 -0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 72 87.075 22.199 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 72 85.701 22.553 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 72 87.699 23.734 0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 72 84.507 24.679 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 72 87.774 26.098 0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 72 84.578 27.045 -1.734 1.00 0.00 H new ATOM 0 HH TYR A 72 85.538 28.555 -0.407 1.00 0.00 H new ATOM 1102 N ASN A 73 83.859 19.927 -1.456 1.00 0.00 N ATOM 1103 CA ASN A 73 83.682 18.539 -1.953 1.00 0.00 C ATOM 1104 C ASN A 73 84.402 18.376 -3.287 1.00 0.00 C ATOM 1105 O ASN A 73 84.168 19.112 -4.227 1.00 0.00 O ATOM 1106 CB ASN A 73 82.197 18.249 -2.148 1.00 0.00 C ATOM 1107 CG ASN A 73 81.501 18.223 -0.783 1.00 0.00 C ATOM 1108 OD1 ASN A 73 81.931 17.526 0.111 1.00 0.00 O ATOM 1109 ND2 ASN A 73 80.434 18.953 -0.583 1.00 0.00 N ATOM 0 H ASN A 73 82.998 20.460 -1.336 1.00 0.00 H new ATOM 0 HA ASN A 73 84.099 17.843 -1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 73 81.747 19.011 -2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 73 82.065 17.293 -2.654 1.00 0.00 H new ATOM 0 HD21 ASN A 73 79.966 18.935 0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 73 80.070 19.540 -1.333 1.00 0.00 H new ATOM 1116 N LEU A 74 85.275 17.411 -3.380 1.00 0.00 N ATOM 1117 CA LEU A 74 86.010 17.196 -4.658 1.00 0.00 C ATOM 1118 C LEU A 74 85.653 15.824 -5.223 1.00 0.00 C ATOM 1119 O LEU A 74 86.152 15.417 -6.252 1.00 0.00 O ATOM 1120 CB LEU A 74 87.521 17.259 -4.400 1.00 0.00 C ATOM 1121 CG LEU A 74 87.902 18.657 -3.904 1.00 0.00 C ATOM 1122 CD1 LEU A 74 89.405 18.696 -3.595 1.00 0.00 C ATOM 1123 CD2 LEU A 74 87.571 19.694 -4.987 1.00 0.00 C ATOM 0 H LEU A 74 85.511 16.763 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 74 85.730 17.972 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 74 87.805 16.510 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 74 88.066 17.026 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 74 87.339 18.889 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 74 89.678 19.690 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 74 89.637 17.961 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 74 89.968 18.465 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 74 87.842 20.689 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 74 88.132 19.465 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 74 86.503 19.665 -5.204 1.00 0.00 H new ATOM 1135 N TYR A 75 84.810 15.095 -4.547 1.00 0.00 N ATOM 1136 CA TYR A 75 84.443 13.735 -5.038 1.00 0.00 C ATOM 1137 C TYR A 75 83.150 13.797 -5.874 1.00 0.00 C ATOM 1138 O TYR A 75 82.168 14.382 -5.463 1.00 0.00 O ATOM 1139 CB TYR A 75 84.246 12.825 -3.820 1.00 0.00 C ATOM 1140 CG TYR A 75 85.534 12.773 -3.034 1.00 0.00 C ATOM 1141 CD1 TYR A 75 86.555 11.887 -3.398 1.00 0.00 C ATOM 1142 CD2 TYR A 75 85.713 13.636 -1.945 1.00 0.00 C ATOM 1143 CE1 TYR A 75 87.751 11.866 -2.675 1.00 0.00 C ATOM 1144 CE2 TYR A 75 86.908 13.610 -1.221 1.00 0.00 C ATOM 1145 CZ TYR A 75 87.927 12.728 -1.589 1.00 0.00 C ATOM 1146 OH TYR A 75 89.111 12.713 -0.890 1.00 0.00 O ATOM 0 H TYR A 75 84.359 15.380 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 75 85.235 13.342 -5.676 1.00 0.00 H new ATOM 0 HB2 TYR A 75 83.438 13.203 -3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 75 83.959 11.823 -4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 75 86.419 11.220 -4.237 1.00 0.00 H new ATOM 0 HD2 TYR A 75 84.927 14.322 -1.665 1.00 0.00 H new ATOM 0 HE1 TYR A 75 88.539 11.183 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.044 14.271 -0.378 1.00 0.00 H new ATOM 0 HH TYR A 75 89.072 13.372 -0.166 1.00 0.00 H new ATOM 1156 N SER A 76 83.141 13.203 -7.050 1.00 0.00 N ATOM 1157 CA SER A 76 81.907 13.236 -7.904 1.00 0.00 C ATOM 1158 C SER A 76 81.218 11.866 -7.912 1.00 0.00 C ATOM 1159 O SER A 76 80.010 11.773 -7.826 1.00 0.00 O ATOM 1160 CB SER A 76 82.271 13.611 -9.342 1.00 0.00 C ATOM 1161 OG SER A 76 81.081 13.631 -10.124 1.00 0.00 O ATOM 0 H SER A 76 83.932 12.700 -7.452 1.00 0.00 H new ATOM 0 HA SER A 76 81.229 13.980 -7.486 1.00 0.00 H new ATOM 0 HB2 SER A 76 82.756 14.587 -9.367 1.00 0.00 H new ATOM 0 HB3 SER A 76 82.980 12.892 -9.752 1.00 0.00 H new ATOM 0 HG SER A 76 81.301 13.872 -11.048 1.00 0.00 H new ATOM 1167 N SER A 77 81.965 10.801 -8.031 1.00 0.00 N ATOM 1168 CA SER A 77 81.323 9.456 -8.055 1.00 0.00 C ATOM 1169 C SER A 77 82.129 8.482 -7.198 1.00 0.00 C ATOM 1170 O SER A 77 83.253 8.750 -6.817 1.00 0.00 O ATOM 1171 CB SER A 77 81.260 8.928 -9.489 1.00 0.00 C ATOM 1172 OG SER A 77 82.580 8.732 -9.976 1.00 0.00 O ATOM 0 H SER A 77 82.982 10.804 -8.112 1.00 0.00 H new ATOM 0 HA SER A 77 80.312 9.545 -7.658 1.00 0.00 H new ATOM 0 HB2 SER A 77 80.706 7.990 -9.519 1.00 0.00 H new ATOM 0 HB3 SER A 77 80.726 9.634 -10.125 1.00 0.00 H new ATOM 0 HG SER A 77 82.543 8.392 -10.894 1.00 0.00 H new ATOM 1178 N LEU A 78 81.558 7.355 -6.893 1.00 0.00 N ATOM 1179 CA LEU A 78 82.278 6.355 -6.063 1.00 0.00 C ATOM 1180 C LEU A 78 83.534 5.894 -6.800 1.00 0.00 C ATOM 1181 O LEU A 78 84.535 5.567 -6.194 1.00 0.00 O ATOM 1182 CB LEU A 78 81.362 5.157 -5.814 1.00 0.00 C ATOM 1183 CG LEU A 78 80.224 5.569 -4.877 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.150 4.482 -4.865 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.773 5.744 -3.459 1.00 0.00 C ATOM 0 H LEU A 78 80.619 7.082 -7.184 1.00 0.00 H new ATOM 0 HA LEU A 78 82.562 6.802 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.956 4.794 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.930 4.337 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 78 79.792 6.507 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.341 4.777 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.758 4.347 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.584 3.545 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.964 6.038 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.204 4.803 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.542 6.516 -3.459 1.00 0.00 H new ATOM 1197 N LYS A 79 83.489 5.856 -8.103 1.00 0.00 N ATOM 1198 CA LYS A 79 84.682 5.410 -8.876 1.00 0.00 C ATOM 1199 C LYS A 79 85.869 6.323 -8.573 1.00 0.00 C ATOM 1200 O LYS A 79 86.985 5.872 -8.415 1.00 0.00 O ATOM 1201 CB LYS A 79 84.365 5.451 -10.374 1.00 0.00 C ATOM 1202 CG LYS A 79 83.402 4.308 -10.711 1.00 0.00 C ATOM 1203 CD LYS A 79 83.097 4.299 -12.214 1.00 0.00 C ATOM 1204 CE LYS A 79 82.078 3.195 -12.529 1.00 0.00 C ATOM 1205 NZ LYS A 79 80.784 3.476 -11.845 1.00 0.00 N ATOM 0 H LYS A 79 82.678 6.114 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 79 84.937 4.390 -8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 79 83.919 6.410 -10.638 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.282 5.355 -10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.840 3.355 -10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.477 4.423 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.704 5.268 -12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 79 84.014 4.133 -12.780 1.00 0.00 H new ATOM 0 HE2 LYS A 79 81.922 3.131 -13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 79 82.466 2.229 -12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 80.022 2.944 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.848 3.187 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 80.577 4.494 -11.898 1.00 0.00 H new ATOM 1219 N GLU A 80 85.642 7.603 -8.486 1.00 0.00 N ATOM 1220 CA GLU A 80 86.760 8.539 -8.184 1.00 0.00 C ATOM 1221 C GLU A 80 87.122 8.444 -6.703 1.00 0.00 C ATOM 1222 O GLU A 80 88.234 8.725 -6.305 1.00 0.00 O ATOM 1223 CB GLU A 80 86.321 9.967 -8.509 1.00 0.00 C ATOM 1224 CG GLU A 80 86.068 10.086 -10.012 1.00 0.00 C ATOM 1225 CD GLU A 80 85.644 11.512 -10.360 1.00 0.00 C ATOM 1226 OE1 GLU A 80 85.951 12.407 -9.591 1.00 0.00 O ATOM 1227 OE2 GLU A 80 85.021 11.687 -11.395 1.00 0.00 O ATOM 0 H GLU A 80 84.730 8.042 -8.611 1.00 0.00 H new ATOM 0 HA GLU A 80 87.630 8.275 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.416 10.217 -7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 80 87.090 10.676 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 80 86.971 9.822 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.292 9.383 -10.315 1.00 0.00 H new ATOM 1234 N LEU A 81 86.185 8.069 -5.878 1.00 0.00 N ATOM 1235 CA LEU A 81 86.471 7.980 -4.419 1.00 0.00 C ATOM 1236 C LEU A 81 87.454 6.840 -4.137 1.00 0.00 C ATOM 1237 O LEU A 81 88.363 6.980 -3.342 1.00 0.00 O ATOM 1238 CB LEU A 81 85.162 7.731 -3.674 1.00 0.00 C ATOM 1239 CG LEU A 81 85.403 7.744 -2.166 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.195 8.379 -1.477 1.00 0.00 C ATOM 1241 CD2 LEU A 81 85.551 6.307 -1.665 1.00 0.00 C ATOM 0 H LEU A 81 85.234 7.820 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 81 86.920 8.914 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.433 8.496 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.741 6.771 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 81 86.307 8.310 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.357 8.393 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.065 9.399 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.301 7.798 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 81 85.723 6.313 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 81 84.640 5.750 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.395 5.833 -2.165 1.00 0.00 H new ATOM 1253 N VAL A 82 87.279 5.713 -4.773 1.00 0.00 N ATOM 1254 CA VAL A 82 88.205 4.568 -4.526 1.00 0.00 C ATOM 1255 C VAL A 82 89.597 4.881 -5.077 1.00 0.00 C ATOM 1256 O VAL A 82 90.597 4.666 -4.423 1.00 0.00 O ATOM 1257 CB VAL A 82 87.659 3.299 -5.198 1.00 0.00 C ATOM 1258 CG1 VAL A 82 87.928 3.324 -6.701 1.00 0.00 C ATOM 1259 CG2 VAL A 82 88.350 2.074 -4.612 1.00 0.00 C ATOM 0 H VAL A 82 86.538 5.535 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 82 88.278 4.406 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 82 86.584 3.257 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.533 2.416 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 82 87.441 4.193 -7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 82 89.002 3.381 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 82 87.962 1.174 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 82 89.424 2.143 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 82 88.159 2.027 -3.540 1.00 0.00 H new ATOM 1269 N LEU A 83 89.671 5.375 -6.276 1.00 0.00 N ATOM 1270 CA LEU A 83 91.000 5.685 -6.872 1.00 0.00 C ATOM 1271 C LEU A 83 91.690 6.825 -6.109 1.00 0.00 C ATOM 1272 O LEU A 83 92.886 6.805 -5.900 1.00 0.00 O ATOM 1273 CB LEU A 83 90.806 6.113 -8.322 1.00 0.00 C ATOM 1274 CG LEU A 83 90.378 4.915 -9.162 1.00 0.00 C ATOM 1275 CD1 LEU A 83 90.050 5.404 -10.572 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.531 3.907 -9.219 1.00 0.00 C ATOM 0 H LEU A 83 88.869 5.579 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 83 91.624 4.793 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.052 6.898 -8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.733 6.531 -8.714 1.00 0.00 H new ATOM 0 HG LEU A 83 89.502 4.436 -8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 83 89.742 4.559 -11.188 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.241 6.133 -10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 83 90.933 5.869 -11.010 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.233 3.047 -9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 83 92.404 4.378 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.777 3.578 -8.209 1.00 0.00 H new ATOM 1288 N HIS A 84 90.949 7.825 -5.714 1.00 0.00 N ATOM 1289 CA HIS A 84 91.561 8.978 -4.989 1.00 0.00 C ATOM 1290 C HIS A 84 92.252 8.494 -3.713 1.00 0.00 C ATOM 1291 O HIS A 84 93.326 8.944 -3.365 1.00 0.00 O ATOM 1292 CB HIS A 84 90.457 9.977 -4.624 1.00 0.00 C ATOM 1293 CG HIS A 84 91.068 11.249 -4.125 1.00 0.00 C ATOM 1294 ND1 HIS A 84 91.252 12.346 -4.946 1.00 0.00 N ATOM 1295 CD2 HIS A 84 91.527 11.621 -2.889 1.00 0.00 C ATOM 1296 CE1 HIS A 84 91.798 13.320 -4.199 1.00 0.00 C ATOM 1297 NE2 HIS A 84 91.987 12.931 -2.936 1.00 0.00 N ATOM 0 H HIS A 84 89.942 7.894 -5.862 1.00 0.00 H new ATOM 0 HA HIS A 84 92.302 9.455 -5.630 1.00 0.00 H new ATOM 0 HB2 HIS A 84 89.835 10.179 -5.496 1.00 0.00 H new ATOM 0 HB3 HIS A 84 89.807 9.551 -3.860 1.00 0.00 H new ATOM 0 HD2 HIS A 84 91.531 10.992 -2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 84 92.053 14.300 -4.575 1.00 0.00 H new ATOM 0 HE2 HIS A 84 92.383 13.477 -2.171 1.00 0.00 H new ATOM 1305 N TYR A 85 91.645 7.591 -3.009 1.00 0.00 N ATOM 1306 CA TYR A 85 92.267 7.087 -1.754 1.00 0.00 C ATOM 1307 C TYR A 85 93.428 6.148 -2.095 1.00 0.00 C ATOM 1308 O TYR A 85 94.350 5.974 -1.321 1.00 0.00 O ATOM 1309 CB TYR A 85 91.212 6.339 -0.931 1.00 0.00 C ATOM 1310 CG TYR A 85 90.183 7.301 -0.359 1.00 0.00 C ATOM 1311 CD1 TYR A 85 90.128 8.639 -0.779 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.274 6.843 0.603 1.00 0.00 C ATOM 1313 CE1 TYR A 85 89.174 9.503 -0.239 1.00 0.00 C ATOM 1314 CE2 TYR A 85 88.320 7.713 1.141 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.271 9.042 0.720 1.00 0.00 C ATOM 1316 OH TYR A 85 87.339 9.901 1.254 1.00 0.00 O ATOM 0 H TYR A 85 90.743 7.176 -3.245 1.00 0.00 H new ATOM 0 HA TYR A 85 92.650 7.926 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.714 5.599 -1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.697 5.795 -0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.825 9.001 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 85 89.310 5.814 0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 85 89.135 10.532 -0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 85 87.621 7.356 1.883 1.00 0.00 H new ATOM 0 HH TYR A 85 87.455 9.946 2.226 1.00 0.00 H new ATOM 1326 N GLN A 86 93.391 5.535 -3.241 1.00 0.00 N ATOM 1327 CA GLN A 86 94.491 4.607 -3.624 1.00 0.00 C ATOM 1328 C GLN A 86 95.810 5.372 -3.757 1.00 0.00 C ATOM 1329 O GLN A 86 96.864 4.869 -3.418 1.00 0.00 O ATOM 1330 CB GLN A 86 94.159 3.953 -4.959 1.00 0.00 C ATOM 1331 CG GLN A 86 95.384 3.189 -5.441 1.00 0.00 C ATOM 1332 CD GLN A 86 94.960 2.190 -6.512 1.00 0.00 C ATOM 1333 OE1 GLN A 86 94.248 1.246 -6.232 1.00 0.00 O ATOM 1334 NE2 GLN A 86 95.357 2.369 -7.742 1.00 0.00 N ATOM 0 H GLN A 86 92.647 5.635 -3.931 1.00 0.00 H new ATOM 0 HA GLN A 86 94.595 3.847 -2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.311 3.278 -4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.872 4.709 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 86 96.124 3.881 -5.844 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.855 2.669 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 86 95.955 3.162 -7.975 1.00 0.00 H new ATOM 0 HE22 GLN A 86 95.070 1.716 -8.471 1.00 0.00 H new ATOM 1343 N HIS A 87 95.768 6.582 -4.251 1.00 0.00 N ATOM 1344 CA HIS A 87 97.033 7.366 -4.401 1.00 0.00 C ATOM 1345 C HIS A 87 97.243 8.227 -3.157 1.00 0.00 C ATOM 1346 O HIS A 87 98.269 8.860 -2.992 1.00 0.00 O ATOM 1347 CB HIS A 87 96.963 8.273 -5.635 1.00 0.00 C ATOM 1348 CG HIS A 87 95.975 9.385 -5.399 1.00 0.00 C ATOM 1349 ND1 HIS A 87 96.229 10.433 -4.526 1.00 0.00 N ATOM 1350 CD2 HIS A 87 94.732 9.629 -5.926 1.00 0.00 C ATOM 1351 CE1 HIS A 87 95.160 11.251 -4.553 1.00 0.00 C ATOM 1352 NE2 HIS A 87 94.218 10.808 -5.392 1.00 0.00 N ATOM 0 H HIS A 87 94.920 7.060 -4.555 1.00 0.00 H new ATOM 0 HA HIS A 87 97.864 6.671 -4.522 1.00 0.00 H new ATOM 0 HB2 HIS A 87 97.948 8.689 -5.848 1.00 0.00 H new ATOM 0 HB3 HIS A 87 96.667 7.691 -6.508 1.00 0.00 H new ATOM 0 HD2 HIS A 87 94.228 9.001 -6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 87 95.074 12.155 -3.968 1.00 0.00 H new ATOM 0 HE2 HIS A 87 93.317 11.240 -5.597 1.00 0.00 H new ATOM 1360 N THR A 88 96.281 8.260 -2.281 1.00 0.00 N ATOM 1361 CA THR A 88 96.423 9.077 -1.048 1.00 0.00 C ATOM 1362 C THR A 88 96.678 8.148 0.133 1.00 0.00 C ATOM 1363 O THR A 88 96.070 7.104 0.260 1.00 0.00 O ATOM 1364 CB THR A 88 95.139 9.872 -0.807 1.00 0.00 C ATOM 1365 OG1 THR A 88 94.819 10.613 -1.978 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.344 10.835 0.364 1.00 0.00 C ATOM 0 H THR A 88 95.399 7.754 -2.367 1.00 0.00 H new ATOM 0 HA THR A 88 97.256 9.771 -1.159 1.00 0.00 H new ATOM 0 HB THR A 88 94.325 9.186 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.048 10.204 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.428 11.401 0.534 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.593 10.269 1.261 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.157 11.523 0.132 1.00 0.00 H new ATOM 1374 N SER A 89 97.575 8.523 1.000 1.00 0.00 N ATOM 1375 CA SER A 89 97.881 7.673 2.180 1.00 0.00 C ATOM 1376 C SER A 89 96.963 8.066 3.336 1.00 0.00 C ATOM 1377 O SER A 89 96.817 9.227 3.665 1.00 0.00 O ATOM 1378 CB SER A 89 99.337 7.885 2.578 1.00 0.00 C ATOM 1379 OG SER A 89 100.158 6.993 1.837 1.00 0.00 O ATOM 0 H SER A 89 98.112 9.388 0.940 1.00 0.00 H new ATOM 0 HA SER A 89 97.720 6.623 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.633 8.916 2.385 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.463 7.712 3.647 1.00 0.00 H new ATOM 0 HG SER A 89 101.096 7.127 2.088 1.00 0.00 H new ATOM 1385 N LEU A 90 96.331 7.100 3.939 1.00 0.00 N ATOM 1386 CA LEU A 90 95.399 7.384 5.067 1.00 0.00 C ATOM 1387 C LEU A 90 96.186 7.813 6.310 1.00 0.00 C ATOM 1388 O LEU A 90 95.649 8.405 7.226 1.00 0.00 O ATOM 1389 CB LEU A 90 94.622 6.115 5.367 1.00 0.00 C ATOM 1390 CG LEU A 90 93.712 5.791 4.189 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.167 4.375 4.350 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.554 6.782 4.145 1.00 0.00 C ATOM 0 H LEU A 90 96.421 6.113 3.696 1.00 0.00 H new ATOM 0 HA LEU A 90 94.720 8.192 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.309 5.289 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 90 94.031 6.243 6.274 1.00 0.00 H new ATOM 0 HG LEU A 90 94.279 5.862 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.515 4.138 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 90 93.995 3.667 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 90 92.601 4.307 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.906 6.547 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 90 91.983 6.716 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.945 7.793 4.032 1.00 0.00 H new ATOM 1404 N VAL A 91 97.456 7.517 6.346 1.00 0.00 N ATOM 1405 CA VAL A 91 98.294 7.908 7.520 1.00 0.00 C ATOM 1406 C VAL A 91 97.763 9.202 8.119 1.00 0.00 C ATOM 1407 O VAL A 91 97.607 9.312 9.322 1.00 0.00 O ATOM 1408 CB VAL A 91 99.730 8.143 7.040 1.00 0.00 C ATOM 1409 CG1 VAL A 91 99.755 9.316 6.060 1.00 0.00 C ATOM 1410 CG2 VAL A 91 100.626 8.470 8.234 1.00 0.00 C ATOM 0 H VAL A 91 97.954 7.018 5.609 1.00 0.00 H new ATOM 0 HA VAL A 91 98.265 7.118 8.271 1.00 0.00 H new ATOM 0 HB VAL A 91 100.094 7.242 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 91 100.777 9.483 5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 91 99.119 9.089 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.387 10.214 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 91 101.646 8.636 7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.259 9.369 8.729 1.00 0.00 H new ATOM 0 HG23 VAL A 91 100.612 7.638 8.938 1.00 0.00 H new ATOM 1420 N GLN A 92 97.500 10.178 7.280 1.00 0.00 N ATOM 1421 CA GLN A 92 97.004 11.498 7.770 1.00 0.00 C ATOM 1422 C GLN A 92 95.710 11.338 8.573 1.00 0.00 C ATOM 1423 O GLN A 92 95.570 11.901 9.640 1.00 0.00 O ATOM 1424 CB GLN A 92 96.742 12.425 6.574 1.00 0.00 C ATOM 1425 CG GLN A 92 98.068 12.854 5.932 1.00 0.00 C ATOM 1426 CD GLN A 92 97.781 13.833 4.786 1.00 0.00 C ATOM 1427 OE1 GLN A 92 96.817 14.569 4.837 1.00 0.00 O ATOM 1428 NE2 GLN A 92 98.577 13.874 3.745 1.00 0.00 N ATOM 0 H GLN A 92 97.610 10.112 6.268 1.00 0.00 H new ATOM 0 HA GLN A 92 97.766 11.928 8.420 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.122 11.913 5.838 1.00 0.00 H new ATOM 0 HB3 GLN A 92 96.187 13.304 6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 92 98.710 13.325 6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 92 98.602 11.982 5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 92 99.388 13.257 3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 92 98.385 14.523 2.982 1.00 0.00 H new ATOM 1437 N HIS A 93 94.764 10.575 8.103 1.00 0.00 N ATOM 1438 CA HIS A 93 93.524 10.421 8.905 1.00 0.00 C ATOM 1439 C HIS A 93 93.971 10.103 10.332 1.00 0.00 C ATOM 1440 O HIS A 93 93.599 10.764 11.280 1.00 0.00 O ATOM 1441 CB HIS A 93 92.694 9.278 8.331 1.00 0.00 C ATOM 1442 CG HIS A 93 92.125 9.702 7.006 1.00 0.00 C ATOM 1443 ND1 HIS A 93 92.802 9.502 5.815 1.00 0.00 N ATOM 1444 CD2 HIS A 93 90.946 10.320 6.669 1.00 0.00 C ATOM 1445 CE1 HIS A 93 92.035 9.988 4.823 1.00 0.00 C ATOM 1446 NE2 HIS A 93 90.892 10.499 5.290 1.00 0.00 N ATOM 0 H HIS A 93 94.794 10.064 7.221 1.00 0.00 H new ATOM 0 HA HIS A 93 92.909 11.321 8.887 1.00 0.00 H new ATOM 0 HB2 HIS A 93 93.312 8.389 8.208 1.00 0.00 H new ATOM 0 HB3 HIS A 93 91.890 9.014 9.019 1.00 0.00 H new ATOM 0 HD2 HIS A 93 90.179 10.621 7.367 1.00 0.00 H new ATOM 0 HE1 HIS A 93 92.309 9.968 3.778 1.00 0.00 H new ATOM 0 HE2 HIS A 93 90.140 10.929 4.751 1.00 0.00 H new ATOM 1454 N ASN A 94 94.838 9.137 10.463 1.00 0.00 N ATOM 1455 CA ASN A 94 95.414 8.796 11.797 1.00 0.00 C ATOM 1456 C ASN A 94 96.920 8.634 11.583 1.00 0.00 C ATOM 1457 O ASN A 94 97.348 7.760 10.864 1.00 0.00 O ATOM 1458 CB ASN A 94 94.826 7.489 12.347 1.00 0.00 C ATOM 1459 CG ASN A 94 93.356 7.707 12.704 1.00 0.00 C ATOM 1460 OD1 ASN A 94 92.919 8.830 12.839 1.00 0.00 O ATOM 1461 ND2 ASN A 94 92.569 6.678 12.871 1.00 0.00 N ATOM 0 H ASN A 94 95.177 8.561 9.692 1.00 0.00 H new ATOM 0 HA ASN A 94 95.183 9.577 12.521 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.918 6.695 11.606 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.382 7.169 13.228 1.00 0.00 H new ATOM 0 HD21 ASN A 94 91.589 6.820 13.115 1.00 0.00 H new ATOM 0 HD22 ASN A 94 92.935 5.733 12.758 1.00 0.00 H new ATOM 1468 N ASP A 95 97.717 9.497 12.160 1.00 0.00 N ATOM 1469 CA ASP A 95 99.198 9.419 11.946 1.00 0.00 C ATOM 1470 C ASP A 95 99.658 7.970 11.739 1.00 0.00 C ATOM 1471 O ASP A 95 100.729 7.733 11.211 1.00 0.00 O ATOM 1472 CB ASP A 95 99.926 10.027 13.151 1.00 0.00 C ATOM 1473 CG ASP A 95 99.736 11.543 13.134 1.00 0.00 C ATOM 1474 OD1 ASP A 95 99.558 12.083 12.055 1.00 0.00 O ATOM 1475 OD2 ASP A 95 99.772 12.138 14.199 1.00 0.00 O ATOM 0 H ASP A 95 97.408 10.253 12.771 1.00 0.00 H new ATOM 0 HA ASP A 95 99.441 9.982 11.045 1.00 0.00 H new ATOM 0 HB2 ASP A 95 99.534 9.609 14.078 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.987 9.780 13.114 1.00 0.00 H new ATOM 1480 N SER A 96 98.887 6.999 12.143 1.00 0.00 N ATOM 1481 CA SER A 96 99.323 5.587 11.950 1.00 0.00 C ATOM 1482 C SER A 96 98.518 4.892 10.852 1.00 0.00 C ATOM 1483 O SER A 96 98.476 3.678 10.795 1.00 0.00 O ATOM 1484 CB SER A 96 99.163 4.809 13.251 1.00 0.00 C ATOM 1485 OG SER A 96 100.124 5.264 14.191 1.00 0.00 O ATOM 0 H SER A 96 97.981 7.120 12.595 1.00 0.00 H new ATOM 0 HA SER A 96 100.371 5.607 11.650 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.157 4.945 13.648 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.293 3.742 13.068 1.00 0.00 H new ATOM 0 HG SER A 96 100.023 4.767 15.029 1.00 0.00 H new ATOM 1491 N LEU A 97 97.892 5.615 9.971 1.00 0.00 N ATOM 1492 CA LEU A 97 97.133 4.915 8.897 1.00 0.00 C ATOM 1493 C LEU A 97 97.988 4.852 7.636 1.00 0.00 C ATOM 1494 O LEU A 97 97.601 5.323 6.587 1.00 0.00 O ATOM 1495 CB LEU A 97 95.842 5.656 8.613 1.00 0.00 C ATOM 1496 CG LEU A 97 94.744 5.073 9.491 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.567 6.046 9.546 1.00 0.00 C ATOM 1498 CD2 LEU A 97 94.284 3.739 8.894 1.00 0.00 C ATOM 0 H LEU A 97 97.870 6.634 9.944 1.00 0.00 H new ATOM 0 HA LEU A 97 96.892 3.902 9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.964 6.720 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.575 5.561 7.560 1.00 0.00 H new ATOM 0 HG LEU A 97 95.123 4.911 10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 97 92.780 5.630 10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.900 6.996 9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 97 93.181 6.207 8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 97 93.497 3.314 9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 97 93.901 3.904 7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.127 3.049 8.853 1.00 0.00 H new ATOM 1510 N ASN A 98 99.149 4.277 7.731 1.00 0.00 N ATOM 1511 CA ASN A 98 100.026 4.204 6.535 1.00 0.00 C ATOM 1512 C ASN A 98 99.543 3.090 5.623 1.00 0.00 C ATOM 1513 O ASN A 98 100.007 1.969 5.679 1.00 0.00 O ATOM 1514 CB ASN A 98 101.459 3.922 6.970 1.00 0.00 C ATOM 1515 CG ASN A 98 102.378 3.987 5.751 1.00 0.00 C ATOM 1516 OD1 ASN A 98 103.099 4.949 5.559 1.00 0.00 O ATOM 1517 ND2 ASN A 98 102.384 2.986 4.918 1.00 0.00 N ATOM 0 H ASN A 98 99.528 3.856 8.579 1.00 0.00 H new ATOM 0 HA ASN A 98 99.991 5.153 6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.775 4.650 7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.523 2.939 7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 98 102.994 3.006 4.101 1.00 0.00 H new ATOM 0 HD22 ASN A 98 101.778 2.182 5.083 1.00 0.00 H new ATOM 1524 N VAL A 99 98.607 3.406 4.775 1.00 0.00 N ATOM 1525 CA VAL A 99 98.065 2.397 3.831 1.00 0.00 C ATOM 1526 C VAL A 99 97.202 3.106 2.786 1.00 0.00 C ATOM 1527 O VAL A 99 96.629 4.147 3.041 1.00 0.00 O ATOM 1528 CB VAL A 99 97.209 1.394 4.592 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.989 2.112 5.171 1.00 0.00 C ATOM 1530 CG2 VAL A 99 96.751 0.296 3.634 1.00 0.00 C ATOM 0 H VAL A 99 98.190 4.334 4.696 1.00 0.00 H new ATOM 0 HA VAL A 99 98.887 1.874 3.342 1.00 0.00 H new ATOM 0 HB VAL A 99 97.788 0.951 5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.372 1.398 5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 99 96.318 2.900 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 99 95.406 2.550 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 99 96.137 -0.425 4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 99 96.166 0.738 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 99 97.622 -0.209 3.216 1.00 0.00 H new ATOM 1540 N THR A 100 97.108 2.547 1.611 1.00 0.00 N ATOM 1541 CA THR A 100 96.284 3.172 0.526 1.00 0.00 C ATOM 1542 C THR A 100 95.375 2.104 -0.102 1.00 0.00 C ATOM 1543 O THR A 100 95.643 0.924 -0.010 1.00 0.00 O ATOM 1544 CB THR A 100 97.213 3.718 -0.557 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.836 2.632 -1.226 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.283 4.611 0.068 1.00 0.00 C ATOM 0 H THR A 100 97.569 1.676 1.349 1.00 0.00 H new ATOM 0 HA THR A 100 95.680 3.977 0.946 1.00 0.00 H new ATOM 0 HB THR A 100 96.631 4.307 -1.266 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.432 2.976 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.939 4.994 -0.714 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.806 5.445 0.582 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.869 4.032 0.782 1.00 0.00 H new ATOM 1554 N LEU A 101 94.315 2.504 -0.756 1.00 0.00 N ATOM 1555 CA LEU A 101 93.413 1.494 -1.395 1.00 0.00 C ATOM 1556 C LEU A 101 94.066 1.027 -2.696 1.00 0.00 C ATOM 1557 O LEU A 101 93.625 1.360 -3.778 1.00 0.00 O ATOM 1558 CB LEU A 101 92.068 2.140 -1.710 1.00 0.00 C ATOM 1559 CG LEU A 101 91.507 2.778 -0.443 1.00 0.00 C ATOM 1560 CD1 LEU A 101 90.044 3.158 -0.668 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.613 1.790 0.720 1.00 0.00 C ATOM 0 H LEU A 101 94.035 3.477 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 101 93.256 0.650 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 101 92.187 2.893 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.373 1.393 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 101 92.079 3.675 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.643 3.614 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.975 3.867 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.469 2.264 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.212 2.248 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 101 91.044 0.890 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.659 1.527 0.880 1.00 0.00 H new ATOM 1573 N ALA A 102 95.142 0.291 -2.595 1.00 0.00 N ATOM 1574 CA ALA A 102 95.866 -0.158 -3.822 1.00 0.00 C ATOM 1575 C ALA A 102 95.366 -1.514 -4.343 1.00 0.00 C ATOM 1576 O ALA A 102 95.415 -1.775 -5.531 1.00 0.00 O ATOM 1577 CB ALA A 102 97.363 -0.257 -3.497 1.00 0.00 C ATOM 0 H ALA A 102 95.552 -0.019 -1.714 1.00 0.00 H new ATOM 0 HA ALA A 102 95.679 0.574 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.907 -0.584 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.733 0.719 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.514 -0.977 -2.693 1.00 0.00 H new ATOM 1583 N TYR A 103 94.919 -2.392 -3.491 1.00 0.00 N ATOM 1584 CA TYR A 103 94.469 -3.724 -3.984 1.00 0.00 C ATOM 1585 C TYR A 103 93.010 -4.003 -3.592 1.00 0.00 C ATOM 1586 O TYR A 103 92.612 -3.775 -2.467 1.00 0.00 O ATOM 1587 CB TYR A 103 95.370 -4.787 -3.368 1.00 0.00 C ATOM 1588 CG TYR A 103 96.743 -4.689 -3.990 1.00 0.00 C ATOM 1589 CD1 TYR A 103 96.960 -5.206 -5.272 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.795 -4.078 -3.295 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.228 -5.116 -5.858 1.00 0.00 C ATOM 1592 CE2 TYR A 103 99.063 -3.989 -3.883 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.280 -4.508 -5.163 1.00 0.00 C ATOM 1594 OH TYR A 103 100.532 -4.420 -5.737 1.00 0.00 O ATOM 0 H TYR A 103 94.846 -2.248 -2.484 1.00 0.00 H new ATOM 0 HA TYR A 103 94.531 -3.740 -5.072 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.435 -4.646 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.951 -5.779 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.149 -5.675 -5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.628 -3.676 -2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 103 98.395 -5.516 -6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.874 -3.519 -3.347 1.00 0.00 H new ATOM 0 HH TYR A 103 101.144 -3.968 -5.119 1.00 0.00 H new ATOM 1604 N PRO A 104 92.232 -4.521 -4.516 1.00 0.00 N ATOM 1605 CA PRO A 104 90.800 -4.875 -4.274 1.00 0.00 C ATOM 1606 C PRO A 104 90.658 -6.183 -3.488 1.00 0.00 C ATOM 1607 O PRO A 104 91.512 -7.047 -3.539 1.00 0.00 O ATOM 1608 CB PRO A 104 90.240 -5.047 -5.680 1.00 0.00 C ATOM 1609 CG PRO A 104 91.394 -5.470 -6.518 1.00 0.00 C ATOM 1610 CD PRO A 104 92.633 -4.824 -5.904 1.00 0.00 C ATOM 0 HA PRO A 104 90.284 -4.119 -3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.447 -5.795 -5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.809 -4.116 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.488 -6.556 -6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.261 -5.150 -7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.489 -5.498 -5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.919 -3.920 -6.442 1.00 0.00 H new ATOM 1618 N VAL A 105 89.591 -6.336 -2.762 1.00 0.00 N ATOM 1619 CA VAL A 105 89.401 -7.588 -1.976 1.00 0.00 C ATOM 1620 C VAL A 105 88.905 -8.726 -2.882 1.00 0.00 C ATOM 1621 O VAL A 105 88.952 -9.884 -2.510 1.00 0.00 O ATOM 1622 CB VAL A 105 88.374 -7.349 -0.883 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.042 -6.953 -1.525 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.192 -8.636 -0.074 1.00 0.00 C ATOM 0 H VAL A 105 88.841 -5.650 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 105 90.359 -7.870 -1.539 1.00 0.00 H new ATOM 0 HB VAL A 105 88.712 -6.550 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.300 -6.780 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.176 -6.042 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.701 -7.755 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.456 -8.470 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 105 87.847 -9.434 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.144 -8.922 0.374 1.00 0.00 H new ATOM 1634 N TYR A 106 88.413 -8.412 -4.055 1.00 0.00 N ATOM 1635 CA TYR A 106 87.905 -9.489 -4.963 1.00 0.00 C ATOM 1636 C TYR A 106 88.500 -9.351 -6.363 1.00 0.00 C ATOM 1637 O TYR A 106 87.792 -9.192 -7.336 1.00 0.00 O ATOM 1638 CB TYR A 106 86.378 -9.419 -5.071 1.00 0.00 C ATOM 1639 CG TYR A 106 85.738 -10.236 -3.969 1.00 0.00 C ATOM 1640 CD1 TYR A 106 85.835 -11.631 -4.002 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.042 -9.606 -2.926 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.241 -12.402 -2.999 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.447 -10.381 -1.919 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.546 -11.776 -1.957 1.00 0.00 C ATOM 1645 OH TYR A 106 83.961 -12.534 -0.967 1.00 0.00 O ATOM 0 H TYR A 106 88.341 -7.463 -4.422 1.00 0.00 H new ATOM 0 HA TYR A 106 88.205 -10.446 -4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.049 -8.382 -5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.057 -9.792 -6.044 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.371 -12.114 -4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 106 84.965 -8.529 -2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.318 -13.479 -3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 106 83.912 -9.900 -1.114 1.00 0.00 H new ATOM 0 HH TYR A 106 83.520 -11.944 -0.321 1.00 0.00 H new ATOM 1655 N ALA A 107 89.790 -9.441 -6.479 1.00 0.00 N ATOM 1656 CA ALA A 107 90.414 -9.347 -7.824 1.00 0.00 C ATOM 1657 C ALA A 107 90.409 -10.731 -8.466 1.00 0.00 C ATOM 1658 O ALA A 107 90.994 -11.663 -7.950 1.00 0.00 O ATOM 1659 CB ALA A 107 91.857 -8.860 -7.692 1.00 0.00 C ATOM 0 H ALA A 107 90.439 -9.575 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 107 89.853 -8.644 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.310 -8.793 -8.681 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.868 -7.877 -7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.423 -9.562 -7.080 1.00 0.00 H new ATOM 1665 N GLN A 108 89.758 -10.885 -9.582 1.00 0.00 N ATOM 1666 CA GLN A 108 89.736 -12.219 -10.227 1.00 0.00 C ATOM 1667 C GLN A 108 90.466 -12.150 -11.571 1.00 0.00 C ATOM 1668 O GLN A 108 90.131 -11.354 -12.428 1.00 0.00 O ATOM 1669 CB GLN A 108 88.290 -12.641 -10.469 1.00 0.00 C ATOM 1670 CG GLN A 108 87.545 -12.771 -9.143 1.00 0.00 C ATOM 1671 CD GLN A 108 86.088 -13.104 -9.446 1.00 0.00 C ATOM 1672 OE1 GLN A 108 85.810 -13.942 -10.277 1.00 0.00 O ATOM 1673 NE2 GLN A 108 85.138 -12.473 -8.815 1.00 0.00 N ATOM 0 H GLN A 108 89.245 -10.151 -10.070 1.00 0.00 H new ATOM 0 HA GLN A 108 90.229 -12.942 -9.577 1.00 0.00 H new ATOM 0 HB2 GLN A 108 87.792 -11.908 -11.103 1.00 0.00 H new ATOM 0 HB3 GLN A 108 88.266 -13.592 -11.002 1.00 0.00 H new ATOM 0 HG2 GLN A 108 87.994 -13.552 -8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 108 87.613 -11.842 -8.576 1.00 0.00 H new ATOM 0 HE21 GLN A 108 85.371 -11.768 -8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 108 84.162 -12.684 -9.020 1.00 0.00 H new ATOM 1682 N GLN A 109 91.450 -12.989 -11.768 1.00 0.00 N ATOM 1683 CA GLN A 109 92.189 -12.990 -13.063 1.00 0.00 C ATOM 1684 C GLN A 109 91.875 -14.288 -13.816 1.00 0.00 C ATOM 1685 O GLN A 109 92.177 -14.430 -14.984 1.00 0.00 O ATOM 1686 CB GLN A 109 93.699 -12.907 -12.806 1.00 0.00 C ATOM 1687 CG GLN A 109 94.059 -11.549 -12.205 1.00 0.00 C ATOM 1688 CD GLN A 109 95.557 -11.537 -11.891 1.00 0.00 C ATOM 1689 OE1 GLN A 109 96.341 -12.124 -12.611 1.00 0.00 O ATOM 1690 NE2 GLN A 109 95.994 -10.899 -10.840 1.00 0.00 N ATOM 0 H GLN A 109 91.773 -13.675 -11.085 1.00 0.00 H new ATOM 0 HA GLN A 109 91.880 -12.129 -13.656 1.00 0.00 H new ATOM 0 HB2 GLN A 109 94.004 -13.705 -12.129 1.00 0.00 H new ATOM 0 HB3 GLN A 109 94.243 -13.055 -13.739 1.00 0.00 H new ATOM 0 HG2 GLN A 109 93.812 -10.749 -12.903 1.00 0.00 H new ATOM 0 HG3 GLN A 109 93.481 -11.371 -11.298 1.00 0.00 H new ATOM 0 HE21 GLN A 109 95.339 -10.405 -10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 109 96.991 -10.894 -10.625 1.00 0.00 H new ATOM 1699 N ARG A 110 91.275 -15.242 -13.148 1.00 0.00 N ATOM 1700 CA ARG A 110 90.947 -16.537 -13.814 1.00 0.00 C ATOM 1701 C ARG A 110 89.444 -16.806 -13.748 1.00 0.00 C ATOM 1702 O ARG A 110 88.774 -16.461 -12.795 1.00 0.00 O ATOM 1703 CB ARG A 110 91.681 -17.668 -13.100 1.00 0.00 C ATOM 1704 CG ARG A 110 93.185 -17.541 -13.344 1.00 0.00 C ATOM 1705 CD ARG A 110 93.924 -18.647 -12.591 1.00 0.00 C ATOM 1706 NE ARG A 110 95.085 -18.060 -11.855 1.00 0.00 N ATOM 1707 CZ ARG A 110 95.847 -17.155 -12.417 1.00 0.00 C ATOM 1708 NH1 ARG A 110 95.659 -16.805 -13.663 1.00 0.00 N ATOM 1709 NH2 ARG A 110 96.812 -16.609 -11.731 1.00 0.00 N ATOM 0 H ARG A 110 90.998 -15.178 -12.168 1.00 0.00 H new ATOM 0 HA ARG A 110 91.255 -16.483 -14.858 1.00 0.00 H new ATOM 0 HB2 ARG A 110 91.472 -17.632 -12.031 1.00 0.00 H new ATOM 0 HB3 ARG A 110 91.324 -18.632 -13.462 1.00 0.00 H new ATOM 0 HG2 ARG A 110 93.397 -17.610 -14.411 1.00 0.00 H new ATOM 0 HG3 ARG A 110 93.536 -16.564 -13.011 1.00 0.00 H new ATOM 0 HD2 ARG A 110 93.248 -19.140 -11.892 1.00 0.00 H new ATOM 0 HD3 ARG A 110 94.270 -19.408 -13.290 1.00 0.00 H new ATOM 0 HE ARG A 110 95.286 -18.368 -10.904 1.00 0.00 H new ATOM 0 HH11 ARG A 110 94.913 -17.238 -14.207 1.00 0.00 H new ATOM 0 HH12 ARG A 110 96.258 -16.099 -14.090 1.00 0.00 H new ATOM 0 HH21 ARG A 110 96.970 -16.887 -10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 110 97.409 -15.904 -12.163 1.00 0.00 H new ATOM 1723 N ARG A 111 88.915 -17.437 -14.758 1.00 0.00 N ATOM 1724 CA ARG A 111 87.462 -17.753 -14.769 1.00 0.00 C ATOM 1725 C ARG A 111 86.656 -16.453 -14.766 1.00 0.00 C ATOM 1726 O ARG A 111 86.654 -15.781 -13.748 1.00 0.00 O ATOM 1727 CB ARG A 111 87.109 -18.572 -13.526 1.00 0.00 C ATOM 1728 CG ARG A 111 85.716 -19.177 -13.697 1.00 0.00 C ATOM 1729 CD ARG A 111 85.302 -19.877 -12.403 1.00 0.00 C ATOM 1730 NE ARG A 111 84.792 -21.248 -12.718 1.00 0.00 N ATOM 1731 CZ ARG A 111 83.979 -21.436 -13.721 1.00 0.00 C ATOM 1732 NH1 ARG A 111 83.550 -20.419 -14.413 1.00 0.00 N ATOM 1733 NH2 ARG A 111 83.579 -22.639 -14.020 1.00 0.00 N ATOM 1734 OXT ARG A 111 86.046 -16.155 -15.779 1.00 0.00 O ATOM 0 H ARG A 111 89.431 -17.749 -15.581 1.00 0.00 H new ATOM 0 HA ARG A 111 87.223 -18.327 -15.664 1.00 0.00 H new ATOM 0 HB2 ARG A 111 87.845 -19.362 -13.376 1.00 0.00 H new ATOM 0 HB3 ARG A 111 87.136 -17.938 -12.639 1.00 0.00 H new ATOM 0 HG2 ARG A 111 84.997 -18.397 -13.947 1.00 0.00 H new ATOM 0 HG3 ARG A 111 85.715 -19.888 -14.524 1.00 0.00 H new ATOM 0 HD2 ARG A 111 86.152 -19.941 -11.724 1.00 0.00 H new ATOM 0 HD3 ARG A 111 84.531 -19.298 -11.895 1.00 0.00 H new ATOM 0 HE ARG A 111 85.082 -22.041 -12.145 1.00 0.00 H new ATOM 0 HH11 ARG A 111 83.850 -19.475 -14.171 1.00 0.00 H new ATOM 0 HH12 ARG A 111 82.914 -20.567 -15.197 1.00 0.00 H new ATOM 0 HH21 ARG A 111 83.901 -23.435 -13.470 1.00 0.00 H new ATOM 0 HH22 ARG A 111 82.943 -22.785 -14.804 1.00 0.00 H new TER 1748 ARG A 111