USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot -154:sc= 0.63 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.712 K(o=-0.082,f=-0.94) USER MOD Set 2.1: A 10 TYR OH : rot 0:sc= 0.964 USER MOD Set 2.2: A 60 THR OG1 : rot -78:sc= 0.2 USER MOD Set 3.1: A 40 GLN : amide:sc= -0.023 K(o=-0.023,f=-2.1!) USER MOD Set 3.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 47 MET CE :methyl -170:sc= 0 (180deg=-0.0756) USER MOD Set 4.1: A 36 ASN : amide:sc= -0.0835 K(o=-0.1,f=-1.5) USER MOD Set 4.2: A 50 ASN : amide:sc= -0.0161 X(o=-0.1,f=-0.48) USER MOD Single : A 1 GLY N :NH3+ -96:sc= 0.0787 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= -1.01 K(o=-1,f=-4.6!) USER MOD Single : A 4 MET CE :methyl -136:sc= -0.0204 (180deg=-0.605) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 19 HIS : no HD1:sc= -0.942 K(o=-0.94,f=-2.6) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 161:sc= 0.806 USER MOD Single : A 41 MET CE :methyl -109:sc= -0.0106 (180deg=-0.207) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 45 THR OG1 : rot -35:sc= 1.26 USER MOD Single : A 49 SER OG : rot -27:sc= 0.363 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 59 SER OG : rot 160:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.26) USER MOD Single : A 66 SER OG : rot 64:sc= 1.08 USER MOD Single : A 68 SER OG : rot -122:sc= 1.13 USER MOD Single : A 75 SER OG : rot 74:sc= 0.0766 USER MOD Single : A 76 GLN : amide:sc= 0.0191 X(o=0.019,f=-0.0091) USER MOD Single : A 83 GLN : amide:sc= 1.22 K(o=1.2,f=-0.11) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -14:sc= 0.232 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.1 X(o=0.1,f=-0.0091) USER MOD Single : A 102 HIS : no HD1:sc=-3.29e-06 X(o=-3.3e-06,f=-0.085) USER MOD Single : A 103 TYR OH : rot 90:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 179:sc= 0.406 (180deg=0.375) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 109 MET CE :methyl -135:sc= -0.277 (180deg=-3.95!) USER MOD Single : A 113 ASN : amide:sc= 1.82 K(o=1.8,f=-3.4!) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.814 -2.011 11.795 1.00 0.00 N ATOM 2 CA GLY A 1 -14.697 -2.745 10.879 1.00 0.00 C ATOM 3 C GLY A 1 -13.955 -3.857 10.151 1.00 0.00 C ATOM 4 O GLY A 1 -12.728 -3.939 10.222 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.911 -2.398 12.755 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.828 -2.109 11.480 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.077 -1.005 11.799 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.530 -3.170 11.439 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.122 -2.054 10.151 1.00 0.00 H new ATOM 8 N SER A 2 -14.695 -4.723 9.447 1.00 0.00 N ATOM 9 CA SER A 2 -14.131 -5.702 8.521 1.00 0.00 C ATOM 10 C SER A 2 -13.582 -4.989 7.276 1.00 0.00 C ATOM 11 O SER A 2 -13.758 -3.775 7.136 1.00 0.00 O ATOM 12 CB SER A 2 -15.220 -6.707 8.148 1.00 0.00 C ATOM 13 OG SER A 2 -15.573 -7.500 9.272 1.00 0.00 O ATOM 0 H SER A 2 -15.712 -4.761 9.508 1.00 0.00 H new ATOM 0 HA SER A 2 -13.304 -6.234 8.991 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.099 -6.179 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.869 -7.348 7.339 1.00 0.00 H new ATOM 0 HG SER A 2 -16.273 -8.137 9.016 1.00 0.00 H new ATOM 19 N HIS A 3 -12.905 -5.713 6.375 1.00 0.00 N ATOM 20 CA HIS A 3 -12.282 -5.095 5.205 1.00 0.00 C ATOM 21 C HIS A 3 -12.005 -6.076 4.061 1.00 0.00 C ATOM 22 O HIS A 3 -12.227 -5.685 2.916 1.00 0.00 O ATOM 23 CB HIS A 3 -11.007 -4.332 5.604 1.00 0.00 C ATOM 24 CG HIS A 3 -9.911 -5.196 6.169 1.00 0.00 C ATOM 25 ND1 HIS A 3 -10.033 -6.067 7.230 1.00 0.00 N ATOM 26 CD2 HIS A 3 -8.629 -5.282 5.694 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.866 -6.708 7.350 1.00 0.00 C ATOM 28 NE2 HIS A 3 -7.970 -6.242 6.469 1.00 0.00 N ATOM 0 H HIS A 3 -12.777 -6.723 6.436 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.012 -4.386 4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.624 -3.808 4.728 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.269 -3.572 6.341 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.859 -6.198 7.814 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.207 -4.716 4.876 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.671 -7.496 8.062 1.00 0.00 H new ATOM 36 N MET A 4 -11.592 -7.330 4.314 1.00 0.00 N ATOM 37 CA MET A 4 -11.424 -8.332 3.268 1.00 0.00 C ATOM 38 C MET A 4 -12.655 -8.455 2.391 1.00 0.00 C ATOM 39 O MET A 4 -12.502 -8.605 1.190 1.00 0.00 O ATOM 40 CB MET A 4 -11.116 -9.690 3.900 1.00 0.00 C ATOM 41 CG MET A 4 -9.624 -9.943 3.954 1.00 0.00 C ATOM 42 SD MET A 4 -8.583 -8.583 4.508 1.00 0.00 S ATOM 43 CE MET A 4 -7.015 -9.067 3.762 1.00 0.00 C ATOM 0 H MET A 4 -11.368 -7.669 5.250 1.00 0.00 H new ATOM 0 HA MET A 4 -10.595 -8.010 2.637 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.531 -9.728 4.907 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.601 -10.480 3.326 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.448 -10.794 4.612 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.294 -10.238 2.958 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.211 -8.930 4.485 1.00 0.00 H new ATOM 0 HE2 MET A 4 -7.062 -10.115 3.465 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.823 -8.449 2.885 1.00 0.00 H new ATOM 53 N GLU A 5 -13.850 -8.328 2.961 1.00 0.00 N ATOM 54 CA GLU A 5 -15.109 -8.308 2.225 1.00 0.00 C ATOM 55 C GLU A 5 -15.074 -7.400 0.994 1.00 0.00 C ATOM 56 O GLU A 5 -15.563 -7.780 -0.072 1.00 0.00 O ATOM 57 CB GLU A 5 -16.277 -7.949 3.153 1.00 0.00 C ATOM 58 CG GLU A 5 -15.980 -6.784 4.107 1.00 0.00 C ATOM 59 CD GLU A 5 -17.113 -6.505 5.087 1.00 0.00 C ATOM 60 OE1 GLU A 5 -17.770 -7.468 5.543 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.306 -5.310 5.425 1.00 0.00 O ATOM 0 H GLU A 5 -13.972 -8.234 3.969 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.264 -9.318 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.146 -7.695 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.544 -8.827 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.071 -7.004 4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.785 -5.885 3.522 1.00 0.00 H new ATOM 68 N VAL A 6 -14.522 -6.196 1.131 1.00 0.00 N ATOM 69 CA VAL A 6 -14.407 -5.256 0.025 1.00 0.00 C ATOM 70 C VAL A 6 -13.359 -5.792 -0.947 1.00 0.00 C ATOM 71 O VAL A 6 -13.603 -5.865 -2.152 1.00 0.00 O ATOM 72 CB VAL A 6 -14.058 -3.853 0.573 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.808 -2.809 -0.520 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.205 -3.340 1.456 1.00 0.00 C ATOM 0 H VAL A 6 -14.143 -5.848 2.012 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.349 -5.155 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.133 -3.976 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.569 -1.850 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.974 -3.129 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.702 -2.704 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.954 -2.351 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.119 -3.279 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.357 -4.025 2.290 1.00 0.00 H new ATOM 84 N PHE A 7 -12.179 -6.151 -0.438 1.00 0.00 N ATOM 85 CA PHE A 7 -10.994 -6.387 -1.254 1.00 0.00 C ATOM 86 C PHE A 7 -10.991 -7.772 -1.909 1.00 0.00 C ATOM 87 O PHE A 7 -10.183 -8.051 -2.795 1.00 0.00 O ATOM 88 CB PHE A 7 -9.756 -6.140 -0.385 1.00 0.00 C ATOM 89 CG PHE A 7 -9.680 -4.738 0.212 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.797 -3.606 -0.623 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.459 -4.553 1.592 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.635 -2.310 -0.104 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.273 -3.255 2.107 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.344 -2.138 1.257 1.00 0.00 C ATOM 0 H PHE A 7 -12.021 -6.286 0.561 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.990 -5.690 -2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.744 -6.869 0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.864 -6.316 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.014 -3.737 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.432 -5.406 2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.734 -1.450 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.075 -3.118 3.160 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.174 -1.147 1.652 1.00 0.00 H new ATOM 104 N ALA A 8 -11.914 -8.644 -1.524 1.00 0.00 N ATOM 105 CA ALA A 8 -11.917 -10.057 -1.841 1.00 0.00 C ATOM 106 C ALA A 8 -12.025 -10.291 -3.344 1.00 0.00 C ATOM 107 O ALA A 8 -11.378 -11.184 -3.888 1.00 0.00 O ATOM 108 CB ALA A 8 -13.104 -10.673 -1.111 1.00 0.00 C ATOM 0 H ALA A 8 -12.715 -8.368 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.982 -10.518 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.146 -11.742 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.991 -10.519 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.025 -10.200 -1.450 1.00 0.00 H new ATOM 114 N GLU A 9 -12.828 -9.473 -4.018 1.00 0.00 N ATOM 115 CA GLU A 9 -13.041 -9.539 -5.453 1.00 0.00 C ATOM 116 C GLU A 9 -11.779 -9.211 -6.259 1.00 0.00 C ATOM 117 O GLU A 9 -11.679 -9.586 -7.430 1.00 0.00 O ATOM 118 CB GLU A 9 -14.121 -8.502 -5.804 1.00 0.00 C ATOM 119 CG GLU A 9 -15.554 -8.963 -5.523 1.00 0.00 C ATOM 120 CD GLU A 9 -16.573 -7.931 -6.024 1.00 0.00 C ATOM 121 OE1 GLU A 9 -16.695 -7.740 -7.258 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.246 -7.295 -5.176 1.00 0.00 O ATOM 0 H GLU A 9 -13.360 -8.729 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.333 -10.558 -5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.928 -7.589 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.034 -8.248 -6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.733 -9.922 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.686 -9.119 -4.452 1.00 0.00 H new ATOM 129 N TYR A 10 -10.828 -8.500 -5.660 1.00 0.00 N ATOM 130 CA TYR A 10 -9.519 -8.274 -6.235 1.00 0.00 C ATOM 131 C TYR A 10 -8.648 -9.499 -5.969 1.00 0.00 C ATOM 132 O TYR A 10 -8.163 -10.112 -6.917 1.00 0.00 O ATOM 133 CB TYR A 10 -8.961 -6.992 -5.630 1.00 0.00 C ATOM 134 CG TYR A 10 -7.711 -6.456 -6.272 1.00 0.00 C ATOM 135 CD1 TYR A 10 -7.798 -5.823 -7.525 1.00 0.00 C ATOM 136 CD2 TYR A 10 -6.497 -6.476 -5.559 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.690 -5.136 -8.035 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.391 -5.774 -6.057 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.508 -5.066 -7.272 1.00 0.00 C ATOM 140 OH TYR A 10 -4.504 -4.259 -7.679 1.00 0.00 O ATOM 0 H TYR A 10 -10.954 -8.061 -4.748 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.555 -8.143 -7.317 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.732 -6.223 -5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.757 -7.169 -4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.716 -5.867 -8.092 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.419 -7.029 -4.634 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.741 -4.664 -9.005 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.457 -5.775 -5.515 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.764 -3.807 -8.509 1.00 0.00 H new ATOM 150 N LEU A 11 -8.509 -9.902 -4.697 1.00 0.00 N ATOM 151 CA LEU A 11 -7.686 -11.039 -4.266 1.00 0.00 C ATOM 152 C LEU A 11 -8.015 -12.307 -5.052 1.00 0.00 C ATOM 153 O LEU A 11 -7.099 -13.038 -5.429 1.00 0.00 O ATOM 154 CB LEU A 11 -7.850 -11.297 -2.750 1.00 0.00 C ATOM 155 CG LEU A 11 -6.944 -10.490 -1.797 1.00 0.00 C ATOM 156 CD1 LEU A 11 -5.469 -10.883 -1.890 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.020 -8.984 -2.016 1.00 0.00 C ATOM 0 H LEU A 11 -8.978 -9.434 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.648 -10.777 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.887 -11.095 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.675 -12.357 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.336 -10.740 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.887 -10.278 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.357 -11.937 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.111 -10.714 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.358 -8.480 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.713 -8.749 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.044 -8.645 -1.858 1.00 0.00 H new ATOM 169 N LYS A 12 -9.300 -12.567 -5.312 1.00 0.00 N ATOM 170 CA LYS A 12 -9.746 -13.728 -6.073 1.00 0.00 C ATOM 171 C LYS A 12 -9.114 -13.726 -7.475 1.00 0.00 C ATOM 172 O LYS A 12 -8.564 -14.743 -7.903 1.00 0.00 O ATOM 173 CB LYS A 12 -11.294 -13.809 -6.045 1.00 0.00 C ATOM 174 CG LYS A 12 -12.029 -13.040 -7.142 1.00 0.00 C ATOM 175 CD LYS A 12 -13.547 -13.064 -6.908 1.00 0.00 C ATOM 176 CE LYS A 12 -14.235 -12.058 -7.834 1.00 0.00 C ATOM 177 NZ LYS A 12 -14.193 -12.482 -9.242 1.00 0.00 N ATOM 0 H LYS A 12 -10.063 -11.969 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.397 -14.652 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.584 -14.858 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.639 -13.441 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.677 -12.009 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.800 -13.478 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.936 -14.065 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.767 -12.823 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.273 -11.932 -7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.753 -11.086 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.670 -11.772 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.203 -12.577 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.676 -13.397 -9.343 1.00 0.00 H new ATOM 191 N GLY A 13 -9.144 -12.579 -8.161 1.00 0.00 N ATOM 192 CA GLY A 13 -8.777 -12.435 -9.564 1.00 0.00 C ATOM 193 C GLY A 13 -7.276 -12.264 -9.796 1.00 0.00 C ATOM 194 O GLY A 13 -6.845 -12.247 -10.951 1.00 0.00 O ATOM 0 H GLY A 13 -9.435 -11.699 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.122 -13.312 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.300 -11.574 -9.980 1.00 0.00 H new ATOM 198 N ILE A 14 -6.462 -12.163 -8.742 1.00 0.00 N ATOM 199 CA ILE A 14 -5.017 -12.324 -8.836 1.00 0.00 C ATOM 200 C ILE A 14 -4.778 -13.781 -9.243 1.00 0.00 C ATOM 201 O ILE A 14 -4.755 -14.679 -8.402 1.00 0.00 O ATOM 202 CB ILE A 14 -4.327 -11.943 -7.504 1.00 0.00 C ATOM 203 CG1 ILE A 14 -4.625 -10.475 -7.126 1.00 0.00 C ATOM 204 CG2 ILE A 14 -2.807 -12.174 -7.598 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.058 -10.015 -5.779 1.00 0.00 C ATOM 0 H ILE A 14 -6.793 -11.966 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.579 -11.656 -9.577 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.730 -12.584 -6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.227 -9.828 -7.908 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.706 -10.333 -7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.338 -11.901 -6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.611 -13.225 -7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.394 -11.560 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.323 -8.971 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.474 -10.629 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.973 -10.117 -5.787 1.00 0.00 H new ATOM 217 N ASP A 15 -4.608 -14.029 -10.541 1.00 0.00 N ATOM 218 CA ASP A 15 -4.436 -15.368 -11.128 1.00 0.00 C ATOM 219 C ASP A 15 -3.078 -15.993 -10.796 1.00 0.00 C ATOM 220 O ASP A 15 -2.756 -17.091 -11.258 1.00 0.00 O ATOM 221 CB ASP A 15 -4.646 -15.305 -12.650 1.00 0.00 C ATOM 222 CG ASP A 15 -5.780 -16.221 -13.101 1.00 0.00 C ATOM 223 OD1 ASP A 15 -6.822 -16.259 -12.406 1.00 0.00 O ATOM 224 OD2 ASP A 15 -5.720 -16.767 -14.227 1.00 0.00 O ATOM 0 H ASP A 15 -4.585 -13.285 -11.239 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.191 -16.015 -10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.868 -14.279 -12.945 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.724 -15.590 -13.157 1.00 0.00 H new ATOM 229 N HIS A 16 -2.284 -15.289 -9.990 1.00 0.00 N ATOM 230 CA HIS A 16 -1.015 -15.655 -9.409 1.00 0.00 C ATOM 231 C HIS A 16 -1.213 -15.964 -7.910 1.00 0.00 C ATOM 232 O HIS A 16 -0.795 -15.171 -7.067 1.00 0.00 O ATOM 233 CB HIS A 16 -0.082 -14.445 -9.624 1.00 0.00 C ATOM 234 CG HIS A 16 0.683 -14.370 -10.918 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.144 -15.419 -11.689 1.00 0.00 N ATOM 236 CD2 HIS A 16 1.150 -13.207 -11.468 1.00 0.00 C ATOM 237 CE1 HIS A 16 1.896 -14.898 -12.673 1.00 0.00 C ATOM 238 NE2 HIS A 16 1.920 -13.557 -12.581 1.00 0.00 N ATOM 0 H HIS A 16 -2.554 -14.348 -9.704 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.586 -16.547 -9.866 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.682 -13.539 -9.537 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.639 -14.429 -8.807 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.959 -12.206 -11.109 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.408 -15.474 -13.430 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.408 -12.915 -13.206 1.00 0.00 H new ATOM 246 N PRO A 17 -1.773 -17.122 -7.528 1.00 0.00 N ATOM 247 CA PRO A 17 -1.921 -17.505 -6.123 1.00 0.00 C ATOM 248 C PRO A 17 -0.574 -17.702 -5.416 1.00 0.00 C ATOM 249 O PRO A 17 -0.515 -17.613 -4.193 1.00 0.00 O ATOM 250 CB PRO A 17 -2.740 -18.798 -6.141 1.00 0.00 C ATOM 251 CG PRO A 17 -2.419 -19.393 -7.510 1.00 0.00 C ATOM 252 CD PRO A 17 -2.287 -18.166 -8.395 1.00 0.00 C ATOM 0 HA PRO A 17 -2.414 -16.715 -5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.451 -19.469 -5.332 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.806 -18.601 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.499 -19.977 -7.490 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.211 -20.057 -7.857 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.610 -18.353 -9.229 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.249 -17.884 -8.822 1.00 0.00 H new ATOM 260 N ASP A 18 0.516 -17.915 -6.157 1.00 0.00 N ATOM 261 CA ASP A 18 1.885 -18.003 -5.637 1.00 0.00 C ATOM 262 C ASP A 18 2.519 -16.625 -5.409 1.00 0.00 C ATOM 263 O ASP A 18 3.696 -16.542 -5.065 1.00 0.00 O ATOM 264 CB ASP A 18 2.745 -18.802 -6.620 1.00 0.00 C ATOM 265 CG ASP A 18 2.485 -20.290 -6.488 1.00 0.00 C ATOM 266 OD1 ASP A 18 3.057 -20.909 -5.565 1.00 0.00 O ATOM 267 OD2 ASP A 18 1.743 -20.825 -7.340 1.00 0.00 O ATOM 0 H ASP A 18 0.470 -18.035 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 18 1.837 -18.501 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.531 -18.481 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.799 -18.596 -6.436 1.00 0.00 H new ATOM 272 N HIS A 19 1.771 -15.545 -5.651 1.00 0.00 N ATOM 273 CA HIS A 19 2.232 -14.164 -5.551 1.00 0.00 C ATOM 274 C HIS A 19 1.090 -13.258 -5.038 1.00 0.00 C ATOM 275 O HIS A 19 1.122 -12.043 -5.221 1.00 0.00 O ATOM 276 CB HIS A 19 2.779 -13.693 -6.921 1.00 0.00 C ATOM 277 CG HIS A 19 3.446 -14.756 -7.784 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.786 -15.726 -8.506 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.787 -14.978 -7.956 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.691 -16.520 -9.086 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.935 -16.087 -8.813 1.00 0.00 N ATOM 0 H HIS A 19 0.793 -15.615 -5.932 1.00 0.00 H new ATOM 0 HA HIS A 19 3.047 -14.099 -4.830 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.955 -13.260 -7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.499 -12.894 -6.745 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.588 -14.405 -7.513 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.457 -17.386 -9.688 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.810 -16.482 -9.157 1.00 0.00 H new ATOM 289 N ARG A 20 0.025 -13.835 -4.467 1.00 0.00 N ATOM 290 CA ARG A 20 -1.182 -13.143 -4.003 1.00 0.00 C ATOM 291 C ARG A 20 -1.015 -12.751 -2.542 1.00 0.00 C ATOM 292 O ARG A 20 -1.252 -11.602 -2.183 1.00 0.00 O ATOM 293 CB ARG A 20 -2.412 -14.063 -4.153 1.00 0.00 C ATOM 294 CG ARG A 20 -3.731 -13.361 -3.767 1.00 0.00 C ATOM 295 CD ARG A 20 -4.707 -14.241 -2.979 1.00 0.00 C ATOM 296 NE ARG A 20 -5.160 -15.404 -3.743 1.00 0.00 N ATOM 297 CZ ARG A 20 -5.741 -16.489 -3.221 1.00 0.00 C ATOM 298 NH1 ARG A 20 -5.969 -16.591 -1.921 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.133 -17.474 -4.018 1.00 0.00 N ATOM 0 H ARG A 20 -0.020 -14.842 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.332 -12.248 -4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.478 -14.410 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.279 -14.946 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.498 -12.476 -3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.224 -13.015 -4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.226 -14.579 -2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.571 -13.645 -2.685 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.022 -15.385 -4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.700 -15.832 -1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.414 -17.429 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.991 -17.402 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.577 -18.303 -3.623 1.00 0.00 H new ATOM 313 N ASP A 21 -0.624 -13.716 -1.715 1.00 0.00 N ATOM 314 CA ASP A 21 -0.630 -13.667 -0.251 1.00 0.00 C ATOM 315 C ASP A 21 0.113 -12.465 0.319 1.00 0.00 C ATOM 316 O ASP A 21 -0.206 -11.979 1.395 1.00 0.00 O ATOM 317 CB ASP A 21 0.036 -14.924 0.296 1.00 0.00 C ATOM 318 CG ASP A 21 -0.279 -15.224 1.764 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.243 -14.667 2.345 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.333 -16.189 2.271 1.00 0.00 O ATOM 0 H ASP A 21 -0.273 -14.607 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.675 -13.589 0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.273 -15.776 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.116 -14.826 0.182 1.00 0.00 H new ATOM 325 N ARG A 22 1.091 -11.946 -0.426 1.00 0.00 N ATOM 326 CA ARG A 22 1.789 -10.716 -0.064 1.00 0.00 C ATOM 327 C ARG A 22 0.759 -9.616 0.191 1.00 0.00 C ATOM 328 O ARG A 22 0.712 -9.042 1.270 1.00 0.00 O ATOM 329 CB ARG A 22 2.806 -10.302 -1.144 1.00 0.00 C ATOM 330 CG ARG A 22 3.804 -11.379 -1.601 1.00 0.00 C ATOM 331 CD ARG A 22 4.620 -12.019 -0.472 1.00 0.00 C ATOM 332 NE ARG A 22 3.936 -13.187 0.124 1.00 0.00 N ATOM 333 CZ ARG A 22 4.104 -13.638 1.377 1.00 0.00 C ATOM 334 NH1 ARG A 22 4.716 -12.909 2.298 1.00 0.00 N ATOM 335 NH2 ARG A 22 3.655 -14.828 1.741 1.00 0.00 N ATOM 0 H ARG A 22 1.419 -12.367 -1.295 1.00 0.00 H new ATOM 0 HA ARG A 22 2.362 -10.886 0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.253 -9.957 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.373 -9.450 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.257 -12.163 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.492 -10.935 -2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.591 -12.328 -0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.808 -11.276 0.303 1.00 0.00 H new ATOM 0 HE ARG A 22 3.279 -13.694 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.072 -11.983 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.831 -13.274 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.172 -15.420 1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.792 -15.154 2.698 1.00 0.00 H new ATOM 349 N THR A 23 -0.109 -9.345 -0.779 1.00 0.00 N ATOM 350 CA THR A 23 -1.164 -8.342 -0.656 1.00 0.00 C ATOM 351 C THR A 23 -2.107 -8.624 0.518 1.00 0.00 C ATOM 352 O THR A 23 -2.545 -7.678 1.175 1.00 0.00 O ATOM 353 CB THR A 23 -1.867 -8.202 -2.023 1.00 0.00 C ATOM 354 OG1 THR A 23 -1.011 -7.461 -2.867 1.00 0.00 O ATOM 355 CG2 THR A 23 -3.250 -7.540 -2.033 1.00 0.00 C ATOM 0 H THR A 23 -0.100 -9.820 -1.682 1.00 0.00 H new ATOM 0 HA THR A 23 -0.731 -7.374 -0.403 1.00 0.00 H new ATOM 0 HB THR A 23 -2.055 -9.223 -2.355 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.430 -7.356 -3.747 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.629 -7.505 -3.054 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.934 -8.117 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.171 -6.526 -1.641 1.00 0.00 H new ATOM 363 N GLU A 24 -2.387 -9.890 0.820 1.00 0.00 N ATOM 364 CA GLU A 24 -3.135 -10.301 2.005 1.00 0.00 C ATOM 365 C GLU A 24 -2.412 -9.884 3.293 1.00 0.00 C ATOM 366 O GLU A 24 -3.075 -9.398 4.218 1.00 0.00 O ATOM 367 CB GLU A 24 -3.378 -11.819 1.926 1.00 0.00 C ATOM 368 CG GLU A 24 -4.777 -12.169 1.401 1.00 0.00 C ATOM 369 CD GLU A 24 -5.791 -12.527 2.487 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.612 -12.180 3.677 1.00 0.00 O ATOM 371 OE2 GLU A 24 -6.812 -13.149 2.113 1.00 0.00 O ATOM 0 H GLU A 24 -2.094 -10.674 0.236 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.100 -9.795 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.628 -12.269 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.246 -12.256 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.159 -11.323 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.692 -13.008 0.710 1.00 0.00 H new ATOM 378 N GLU A 25 -1.081 -10.019 3.366 1.00 0.00 N ATOM 379 CA GLU A 25 -0.311 -9.489 4.489 1.00 0.00 C ATOM 380 C GLU A 25 -0.488 -7.969 4.559 1.00 0.00 C ATOM 381 O GLU A 25 -0.852 -7.470 5.624 1.00 0.00 O ATOM 382 CB GLU A 25 1.197 -9.812 4.459 1.00 0.00 C ATOM 383 CG GLU A 25 1.610 -11.288 4.493 1.00 0.00 C ATOM 384 CD GLU A 25 3.048 -11.487 5.010 1.00 0.00 C ATOM 385 OE1 GLU A 25 3.879 -10.535 5.014 1.00 0.00 O ATOM 386 OE2 GLU A 25 3.371 -12.589 5.502 1.00 0.00 O ATOM 0 H GLU A 25 -0.519 -10.492 2.658 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.710 -9.989 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.618 -9.367 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.664 -9.313 5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.919 -11.841 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.526 -11.709 3.491 1.00 0.00 H new ATOM 393 N ILE A 26 -0.210 -7.241 3.465 1.00 0.00 N ATOM 394 CA ILE A 26 -0.273 -5.772 3.423 1.00 0.00 C ATOM 395 C ILE A 26 -1.634 -5.293 3.935 1.00 0.00 C ATOM 396 O ILE A 26 -1.688 -4.382 4.758 1.00 0.00 O ATOM 397 CB ILE A 26 0.028 -5.194 2.007 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.516 -5.198 1.589 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.428 -3.725 1.886 1.00 0.00 C ATOM 400 CD1 ILE A 26 2.064 -6.469 0.966 1.00 0.00 C ATOM 0 H ILE A 26 0.067 -7.660 2.577 1.00 0.00 H new ATOM 0 HA ILE A 26 0.512 -5.394 4.078 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.525 -5.869 1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.669 -4.383 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.114 -4.971 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.202 -3.355 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.502 -3.662 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.097 -3.119 2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.117 -6.330 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.960 -7.294 1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.508 -6.697 0.056 1.00 0.00 H new ATOM 412 N LEU A 27 -2.727 -5.841 3.400 1.00 0.00 N ATOM 413 CA LEU A 27 -4.070 -5.344 3.670 1.00 0.00 C ATOM 414 C LEU A 27 -4.396 -5.498 5.151 1.00 0.00 C ATOM 415 O LEU A 27 -4.787 -4.522 5.788 1.00 0.00 O ATOM 416 CB LEU A 27 -5.100 -6.086 2.811 1.00 0.00 C ATOM 417 CG LEU A 27 -5.106 -5.680 1.331 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.772 -6.770 0.500 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.898 -4.393 1.109 1.00 0.00 C ATOM 0 H LEU A 27 -2.702 -6.641 2.768 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.111 -4.286 3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.908 -7.157 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.093 -5.913 3.226 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.068 -5.530 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.774 -6.477 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.221 -7.703 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.798 -6.910 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.882 -4.134 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.929 -4.540 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.449 -3.585 1.687 1.00 0.00 H new ATOM 431 N SER A 28 -4.214 -6.704 5.698 1.00 0.00 N ATOM 432 CA SER A 28 -4.536 -6.965 7.093 1.00 0.00 C ATOM 433 C SER A 28 -3.619 -6.152 8.018 1.00 0.00 C ATOM 434 O SER A 28 -4.068 -5.695 9.069 1.00 0.00 O ATOM 435 CB SER A 28 -4.473 -8.476 7.352 1.00 0.00 C ATOM 436 OG SER A 28 -5.286 -8.837 8.455 1.00 0.00 O ATOM 0 H SER A 28 -3.846 -7.510 5.192 1.00 0.00 H new ATOM 0 HA SER A 28 -5.552 -6.639 7.314 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.800 -9.015 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.442 -8.773 7.543 1.00 0.00 H new ATOM 0 HG SER A 28 -5.231 -9.805 8.599 1.00 0.00 H new ATOM 442 N TRP A 29 -2.363 -5.921 7.614 1.00 0.00 N ATOM 443 CA TRP A 29 -1.409 -5.095 8.341 1.00 0.00 C ATOM 444 C TRP A 29 -1.870 -3.639 8.383 1.00 0.00 C ATOM 445 O TRP A 29 -1.890 -3.039 9.454 1.00 0.00 O ATOM 446 CB TRP A 29 -0.029 -5.220 7.693 1.00 0.00 C ATOM 447 CG TRP A 29 1.028 -4.368 8.305 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.650 -4.628 9.470 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.568 -3.102 7.838 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.561 -3.632 9.745 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.555 -2.661 8.766 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.304 -2.275 6.731 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.273 -1.473 8.577 1.00 0.00 C ATOM 454 CZ3 TRP A 29 2.047 -1.100 6.511 1.00 0.00 C ATOM 455 CH2 TRP A 29 3.045 -0.714 7.421 1.00 0.00 C ATOM 0 H TRP A 29 -1.981 -6.314 6.754 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.346 -5.445 9.371 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.288 -6.262 7.745 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.115 -4.965 6.637 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.463 -5.488 10.095 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.163 -3.615 10.568 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.520 -2.546 6.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.993 -1.146 9.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.849 -0.493 5.640 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.637 0.169 7.230 1.00 0.00 H new ATOM 466 N VAL A 30 -2.269 -3.056 7.246 1.00 0.00 N ATOM 467 CA VAL A 30 -2.883 -1.732 7.226 1.00 0.00 C ATOM 468 C VAL A 30 -4.060 -1.691 8.204 1.00 0.00 C ATOM 469 O VAL A 30 -4.128 -0.787 9.032 1.00 0.00 O ATOM 470 CB VAL A 30 -3.254 -1.327 5.781 1.00 0.00 C ATOM 471 CG1 VAL A 30 -4.238 -0.150 5.767 1.00 0.00 C ATOM 472 CG2 VAL A 30 -1.994 -0.910 4.996 1.00 0.00 C ATOM 0 H VAL A 30 -2.175 -3.487 6.326 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.170 -0.982 7.568 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.719 -2.195 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.479 0.111 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.150 -0.432 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.785 0.709 6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.274 -0.628 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.521 -0.062 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.294 -1.745 4.961 1.00 0.00 H new ATOM 482 N ALA A 31 -4.943 -2.682 8.167 1.00 0.00 N ATOM 483 CA ALA A 31 -6.133 -2.767 9.004 1.00 0.00 C ATOM 484 C ALA A 31 -5.863 -3.114 10.480 1.00 0.00 C ATOM 485 O ALA A 31 -6.786 -3.506 11.203 1.00 0.00 O ATOM 486 CB ALA A 31 -7.035 -3.796 8.353 1.00 0.00 C ATOM 0 H ALA A 31 -4.847 -3.475 7.532 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.595 -1.781 9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.948 -3.903 8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.288 -3.471 7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.519 -4.755 8.307 1.00 0.00 H new ATOM 492 N ALA A 32 -4.613 -3.034 10.928 1.00 0.00 N ATOM 493 CA ALA A 32 -4.212 -3.239 12.317 1.00 0.00 C ATOM 494 C ALA A 32 -3.126 -2.267 12.806 1.00 0.00 C ATOM 495 O ALA A 32 -3.151 -1.865 13.970 1.00 0.00 O ATOM 496 CB ALA A 32 -3.752 -4.682 12.465 1.00 0.00 C ATOM 0 H ALA A 32 -3.827 -2.818 10.315 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.076 -3.032 12.948 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.446 -4.863 13.496 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.571 -5.353 12.207 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.909 -4.865 11.799 1.00 0.00 H new ATOM 502 N THR A 33 -2.179 -1.861 11.959 1.00 0.00 N ATOM 503 CA THR A 33 -1.275 -0.755 12.269 1.00 0.00 C ATOM 504 C THR A 33 -2.028 0.556 12.107 1.00 0.00 C ATOM 505 O THR A 33 -1.844 1.454 12.928 1.00 0.00 O ATOM 506 CB THR A 33 -0.060 -0.761 11.342 1.00 0.00 C ATOM 507 OG1 THR A 33 0.580 -2.021 11.350 1.00 0.00 O ATOM 508 CG2 THR A 33 1.038 0.208 11.795 1.00 0.00 C ATOM 0 H THR A 33 -2.018 -2.286 11.046 1.00 0.00 H new ATOM 0 HA THR A 33 -0.922 -0.868 13.294 1.00 0.00 H new ATOM 0 HB THR A 33 -0.462 -0.486 10.367 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.149 -2.104 10.556 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.875 0.160 11.099 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.641 1.223 11.817 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.379 -0.069 12.792 1.00 0.00 H new ATOM 516 N PHE A 34 -2.882 0.671 11.082 1.00 0.00 N ATOM 517 CA PHE A 34 -3.646 1.876 10.822 1.00 0.00 C ATOM 518 C PHE A 34 -5.153 1.576 10.800 1.00 0.00 C ATOM 519 O PHE A 34 -5.828 1.667 9.768 1.00 0.00 O ATOM 520 CB PHE A 34 -3.172 2.633 9.589 1.00 0.00 C ATOM 521 CG PHE A 34 -1.734 2.425 9.171 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.677 2.920 9.952 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.456 1.704 8.001 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.645 2.578 9.620 1.00 0.00 C ATOM 525 CE2 PHE A 34 -0.138 1.371 7.661 1.00 0.00 C ATOM 526 CZ PHE A 34 0.909 1.787 8.490 1.00 0.00 C ATOM 0 H PHE A 34 -3.056 -0.078 10.412 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.462 2.557 11.653 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.812 2.354 8.752 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.324 3.698 9.765 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.878 3.558 10.800 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.267 1.402 7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.461 2.925 10.236 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.067 0.799 6.768 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.924 1.499 8.260 1.00 0.00 H new ATOM 536 N PRO A 35 -5.741 1.274 11.964 1.00 0.00 N ATOM 537 CA PRO A 35 -7.160 0.961 12.080 1.00 0.00 C ATOM 538 C PRO A 35 -8.063 2.175 11.822 1.00 0.00 C ATOM 539 O PRO A 35 -9.283 2.040 11.841 1.00 0.00 O ATOM 540 CB PRO A 35 -7.316 0.414 13.498 1.00 0.00 C ATOM 541 CG PRO A 35 -6.218 1.150 14.268 1.00 0.00 C ATOM 542 CD PRO A 35 -5.091 1.247 13.263 1.00 0.00 C ATOM 0 HA PRO A 35 -7.474 0.241 11.324 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.305 0.623 13.905 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.179 -0.667 13.532 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.549 2.135 14.597 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.915 0.601 15.160 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.496 2.146 13.424 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.414 0.397 13.347 1.00 0.00 H new ATOM 550 N ASN A 36 -7.479 3.360 11.626 1.00 0.00 N ATOM 551 CA ASN A 36 -8.153 4.612 11.275 1.00 0.00 C ATOM 552 C ASN A 36 -8.511 4.708 9.776 1.00 0.00 C ATOM 553 O ASN A 36 -9.331 5.526 9.356 1.00 0.00 O ATOM 554 CB ASN A 36 -7.207 5.762 11.654 1.00 0.00 C ATOM 555 CG ASN A 36 -7.930 7.060 11.991 1.00 0.00 C ATOM 556 OD1 ASN A 36 -9.142 7.178 11.924 1.00 0.00 O ATOM 557 ND2 ASN A 36 -7.175 8.039 12.448 1.00 0.00 N ATOM 0 H ASN A 36 -6.470 3.478 11.713 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.097 4.662 11.817 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.604 5.459 12.510 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.519 5.943 10.828 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.603 8.913 12.753 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.163 7.922 12.497 1.00 0.00 H new ATOM 564 N LEU A 37 -7.881 3.882 8.933 1.00 0.00 N ATOM 565 CA LEU A 37 -8.190 3.803 7.507 1.00 0.00 C ATOM 566 C LEU A 37 -9.429 2.924 7.292 1.00 0.00 C ATOM 567 O LEU A 37 -9.581 1.906 7.969 1.00 0.00 O ATOM 568 CB LEU A 37 -6.988 3.195 6.758 1.00 0.00 C ATOM 569 CG LEU A 37 -5.773 4.110 6.511 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.662 3.282 5.865 1.00 0.00 C ATOM 571 CD2 LEU A 37 -6.105 5.259 5.573 1.00 0.00 C ATOM 0 H LEU A 37 -7.138 3.247 9.226 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.391 4.803 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.646 2.325 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.340 2.834 5.792 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.467 4.524 7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.794 3.916 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.382 2.466 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.016 2.873 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.219 5.878 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.432 4.861 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.903 5.863 6.006 1.00 0.00 H new ATOM 583 N GLU A 38 -10.264 3.262 6.305 1.00 0.00 N ATOM 584 CA GLU A 38 -11.496 2.552 5.934 1.00 0.00 C ATOM 585 C GLU A 38 -11.405 2.057 4.478 1.00 0.00 C ATOM 586 O GLU A 38 -10.892 2.803 3.641 1.00 0.00 O ATOM 587 CB GLU A 38 -12.654 3.561 6.020 1.00 0.00 C ATOM 588 CG GLU A 38 -13.105 3.860 7.454 1.00 0.00 C ATOM 589 CD GLU A 38 -14.245 2.925 7.846 1.00 0.00 C ATOM 590 OE1 GLU A 38 -15.376 3.145 7.365 1.00 0.00 O ATOM 591 OE2 GLU A 38 -14.015 1.909 8.544 1.00 0.00 O ATOM 0 H GLU A 38 -10.093 4.076 5.714 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.647 1.700 6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.349 4.492 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.503 3.176 5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.268 3.735 8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.430 4.897 7.533 1.00 0.00 H new ATOM 598 N PRO A 39 -11.948 0.880 4.116 1.00 0.00 N ATOM 599 CA PRO A 39 -11.776 0.279 2.788 1.00 0.00 C ATOM 600 C PRO A 39 -12.602 0.964 1.686 1.00 0.00 C ATOM 601 O PRO A 39 -13.724 1.429 1.939 1.00 0.00 O ATOM 602 CB PRO A 39 -12.210 -1.183 2.951 1.00 0.00 C ATOM 603 CG PRO A 39 -13.179 -1.155 4.132 1.00 0.00 C ATOM 604 CD PRO A 39 -12.612 -0.050 5.016 1.00 0.00 C ATOM 0 HA PRO A 39 -10.741 0.388 2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.692 -1.559 2.049 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.357 -1.832 3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.198 -0.934 3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.209 -2.112 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.404 0.447 5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.911 -0.455 5.746 1.00 0.00 H new ATOM 612 N GLN A 40 -12.080 0.977 0.449 1.00 0.00 N ATOM 613 CA GLN A 40 -12.712 1.578 -0.718 1.00 0.00 C ATOM 614 C GLN A 40 -12.231 0.888 -2.014 1.00 0.00 C ATOM 615 O GLN A 40 -11.038 0.900 -2.319 1.00 0.00 O ATOM 616 CB GLN A 40 -12.393 3.087 -0.677 1.00 0.00 C ATOM 617 CG GLN A 40 -13.036 3.878 -1.822 1.00 0.00 C ATOM 618 CD GLN A 40 -13.145 5.378 -1.528 1.00 0.00 C ATOM 619 OE1 GLN A 40 -12.539 6.213 -2.199 1.00 0.00 O ATOM 620 NE2 GLN A 40 -13.942 5.769 -0.548 1.00 0.00 N ATOM 0 H GLN A 40 -11.177 0.554 0.235 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.794 1.443 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.734 3.497 0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.312 3.223 -0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.450 3.733 -2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.031 3.479 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.444 5.077 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.055 6.763 -0.348 1.00 0.00 H new ATOM 629 N MET A 41 -13.143 0.284 -2.787 1.00 0.00 N ATOM 630 CA MET A 41 -12.877 -0.228 -4.138 1.00 0.00 C ATOM 631 C MET A 41 -12.911 0.944 -5.127 1.00 0.00 C ATOM 632 O MET A 41 -13.996 1.382 -5.527 1.00 0.00 O ATOM 633 CB MET A 41 -13.939 -1.287 -4.506 1.00 0.00 C ATOM 634 CG MET A 41 -13.922 -1.768 -5.972 1.00 0.00 C ATOM 635 SD MET A 41 -13.348 -3.455 -6.305 1.00 0.00 S ATOM 636 CE MET A 41 -11.562 -3.161 -6.430 1.00 0.00 C ATOM 0 H MET A 41 -14.106 0.135 -2.485 1.00 0.00 H new ATOM 0 HA MET A 41 -11.895 -0.699 -4.178 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.803 -2.152 -3.857 1.00 0.00 H new ATOM 0 HB3 MET A 41 -14.925 -0.877 -4.288 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.934 -1.675 -6.366 1.00 0.00 H new ATOM 0 HG3 MET A 41 -13.294 -1.083 -6.541 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.247 -3.271 -7.468 1.00 0.00 H new ATOM 0 HE2 MET A 41 -11.334 -2.152 -6.086 1.00 0.00 H new ATOM 0 HE3 MET A 41 -11.030 -3.884 -5.811 1.00 0.00 H new ATOM 646 N LYS A 42 -11.758 1.431 -5.592 1.00 0.00 N ATOM 647 CA LYS A 42 -11.690 2.545 -6.550 1.00 0.00 C ATOM 648 C LYS A 42 -10.683 2.213 -7.632 1.00 0.00 C ATOM 649 O LYS A 42 -9.719 1.512 -7.349 1.00 0.00 O ATOM 650 CB LYS A 42 -11.273 3.821 -5.805 1.00 0.00 C ATOM 651 CG LYS A 42 -11.970 5.065 -6.361 1.00 0.00 C ATOM 652 CD LYS A 42 -11.500 6.312 -5.611 1.00 0.00 C ATOM 653 CE LYS A 42 -12.321 7.531 -6.035 1.00 0.00 C ATOM 654 NZ LYS A 42 -12.980 8.185 -4.888 1.00 0.00 N ATOM 0 H LYS A 42 -10.845 1.067 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.664 2.704 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.510 3.716 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.193 3.947 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.753 5.168 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.051 4.959 -6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.597 6.156 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.444 6.489 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.671 8.248 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.076 7.225 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.525 9.005 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.621 7.510 -4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.260 8.502 -4.208 1.00 0.00 H new ATOM 668 N TRP A 43 -10.878 2.706 -8.854 1.00 0.00 N ATOM 669 CA TRP A 43 -9.993 2.450 -9.993 1.00 0.00 C ATOM 670 C TRP A 43 -9.765 0.965 -10.316 1.00 0.00 C ATOM 671 O TRP A 43 -8.844 0.635 -11.060 1.00 0.00 O ATOM 672 CB TRP A 43 -8.686 3.245 -9.824 1.00 0.00 C ATOM 673 CG TRP A 43 -8.738 4.587 -10.466 1.00 0.00 C ATOM 674 CD1 TRP A 43 -9.305 5.691 -9.941 1.00 0.00 C ATOM 675 CD2 TRP A 43 -8.245 4.965 -11.781 1.00 0.00 C ATOM 676 NE1 TRP A 43 -9.169 6.740 -10.827 1.00 0.00 N ATOM 677 CE2 TRP A 43 -8.531 6.345 -11.983 1.00 0.00 C ATOM 678 CE3 TRP A 43 -7.588 4.276 -12.823 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -8.161 7.012 -13.158 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -7.212 4.936 -14.007 1.00 0.00 C ATOM 681 CH2 TRP A 43 -7.492 6.303 -14.170 1.00 0.00 C ATOM 0 H TRP A 43 -11.670 3.306 -9.086 1.00 0.00 H new ATOM 0 HA TRP A 43 -10.510 2.811 -10.882 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.474 3.364 -8.762 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.862 2.675 -10.252 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.790 5.746 -8.978 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.499 7.689 -10.649 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.370 3.224 -12.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.388 8.060 -13.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.708 4.391 -14.791 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.192 6.810 -15.075 1.00 0.00 H new ATOM 692 N ASN A 44 -10.604 0.063 -9.795 1.00 0.00 N ATOM 693 CA ASN A 44 -10.451 -1.393 -9.813 1.00 0.00 C ATOM 694 C ASN A 44 -9.266 -1.862 -8.963 1.00 0.00 C ATOM 695 O ASN A 44 -8.647 -2.891 -9.237 1.00 0.00 O ATOM 696 CB ASN A 44 -10.334 -1.897 -11.246 1.00 0.00 C ATOM 697 CG ASN A 44 -11.078 -3.206 -11.476 1.00 0.00 C ATOM 698 OD1 ASN A 44 -11.213 -4.048 -10.593 1.00 0.00 O ATOM 699 ND2 ASN A 44 -11.632 -3.359 -12.662 1.00 0.00 N ATOM 0 H ASN A 44 -11.460 0.350 -9.321 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.347 -1.822 -9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.724 -1.139 -11.925 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.281 -2.035 -11.493 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.187 -4.191 -12.862 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.506 -2.645 -13.380 1.00 0.00 H new ATOM 706 N THR A 45 -8.926 -1.078 -7.944 1.00 0.00 N ATOM 707 CA THR A 45 -7.774 -1.255 -7.083 1.00 0.00 C ATOM 708 C THR A 45 -8.248 -1.158 -5.621 1.00 0.00 C ATOM 709 O THR A 45 -9.274 -0.530 -5.324 1.00 0.00 O ATOM 710 CB THR A 45 -6.686 -0.217 -7.444 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.083 1.124 -7.212 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.288 -0.321 -8.921 1.00 0.00 C ATOM 0 H THR A 45 -9.480 -0.261 -7.688 1.00 0.00 H new ATOM 0 HA THR A 45 -7.317 -2.235 -7.222 1.00 0.00 H new ATOM 0 HB THR A 45 -5.848 -0.456 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.039 1.220 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.522 0.421 -9.144 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.897 -1.318 -9.123 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.162 -0.140 -9.547 1.00 0.00 H new ATOM 720 N PRO A 46 -7.542 -1.810 -4.695 1.00 0.00 N ATOM 721 CA PRO A 46 -7.726 -1.661 -3.262 1.00 0.00 C ATOM 722 C PRO A 46 -7.126 -0.336 -2.787 1.00 0.00 C ATOM 723 O PRO A 46 -5.902 -0.170 -2.785 1.00 0.00 O ATOM 724 CB PRO A 46 -7.011 -2.874 -2.657 1.00 0.00 C ATOM 725 CG PRO A 46 -5.928 -3.204 -3.677 1.00 0.00 C ATOM 726 CD PRO A 46 -6.592 -2.862 -4.991 1.00 0.00 C ATOM 0 HA PRO A 46 -8.774 -1.631 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.584 -2.641 -1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.694 -3.711 -2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.026 -2.615 -3.514 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.636 -4.253 -3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.858 -2.530 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.093 -3.733 -5.414 1.00 0.00 H new ATOM 734 N MET A 47 -7.961 0.601 -2.342 1.00 0.00 N ATOM 735 CA MET A 47 -7.501 1.775 -1.611 1.00 0.00 C ATOM 736 C MET A 47 -8.193 1.841 -0.252 1.00 0.00 C ATOM 737 O MET A 47 -9.129 1.080 0.019 1.00 0.00 O ATOM 738 CB MET A 47 -7.646 3.046 -2.461 1.00 0.00 C ATOM 739 CG MET A 47 -9.084 3.376 -2.849 1.00 0.00 C ATOM 740 SD MET A 47 -9.366 5.133 -3.177 1.00 0.00 S ATOM 741 CE MET A 47 -9.360 5.797 -1.491 1.00 0.00 C ATOM 0 H MET A 47 -8.971 0.566 -2.478 1.00 0.00 H new ATOM 0 HA MET A 47 -6.433 1.694 -1.407 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.227 3.888 -1.910 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.053 2.933 -3.369 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.352 2.803 -3.736 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.750 3.054 -2.048 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.696 6.834 -1.507 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.031 5.208 -0.865 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.350 5.750 -1.085 1.00 0.00 H new ATOM 751 N PHE A 48 -7.734 2.750 0.609 1.00 0.00 N ATOM 752 CA PHE A 48 -8.340 2.971 1.911 1.00 0.00 C ATOM 753 C PHE A 48 -8.392 4.469 2.194 1.00 0.00 C ATOM 754 O PHE A 48 -7.728 5.274 1.539 1.00 0.00 O ATOM 755 CB PHE A 48 -7.617 2.256 3.068 1.00 0.00 C ATOM 756 CG PHE A 48 -6.819 0.992 2.818 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.582 1.093 2.162 1.00 0.00 C ATOM 758 CD2 PHE A 48 -7.187 -0.231 3.415 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.692 0.016 2.146 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.311 -1.330 3.365 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.053 -1.193 2.749 1.00 0.00 C ATOM 0 H PHE A 48 -6.932 3.351 0.418 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.341 2.542 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.938 2.980 3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.371 2.016 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.315 2.014 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.142 -0.324 3.911 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.728 0.117 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.603 -2.276 3.798 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.364 -2.025 2.742 1.00 0.00 H new ATOM 771 N SER A 49 -9.139 4.850 3.222 1.00 0.00 N ATOM 772 CA SER A 49 -9.538 6.217 3.443 1.00 0.00 C ATOM 773 C SER A 49 -9.494 6.577 4.919 1.00 0.00 C ATOM 774 O SER A 49 -10.251 6.028 5.712 1.00 0.00 O ATOM 775 CB SER A 49 -10.895 6.461 2.790 1.00 0.00 C ATOM 776 OG SER A 49 -11.829 5.417 3.027 1.00 0.00 O ATOM 0 H SER A 49 -9.485 4.203 3.930 1.00 0.00 H new ATOM 0 HA SER A 49 -8.825 6.891 2.967 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.307 7.399 3.163 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.757 6.579 1.715 1.00 0.00 H new ATOM 0 HG SER A 49 -11.349 4.576 3.175 1.00 0.00 H new ATOM 782 N ASN A 50 -8.574 7.460 5.308 1.00 0.00 N ATOM 783 CA ASN A 50 -8.399 7.858 6.706 1.00 0.00 C ATOM 784 C ASN A 50 -9.580 8.736 7.036 1.00 0.00 C ATOM 785 O ASN A 50 -9.623 9.875 6.565 1.00 0.00 O ATOM 786 CB ASN A 50 -7.077 8.595 6.958 1.00 0.00 C ATOM 787 CG ASN A 50 -6.888 8.892 8.445 1.00 0.00 C ATOM 788 OD1 ASN A 50 -6.378 8.051 9.182 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.243 10.080 8.909 1.00 0.00 N ATOM 0 H ASN A 50 -7.930 7.919 4.664 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.353 6.976 7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.245 7.991 6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.063 9.527 6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.094 10.309 9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.665 10.766 8.284 1.00 0.00 H new ATOM 796 N GLN A 51 -10.564 8.181 7.740 1.00 0.00 N ATOM 797 CA GLN A 51 -11.846 8.823 8.000 1.00 0.00 C ATOM 798 C GLN A 51 -12.449 9.427 6.715 1.00 0.00 C ATOM 799 O GLN A 51 -12.977 10.540 6.727 1.00 0.00 O ATOM 800 CB GLN A 51 -11.662 9.844 9.136 1.00 0.00 C ATOM 801 CG GLN A 51 -11.155 9.223 10.448 1.00 0.00 C ATOM 802 CD GLN A 51 -10.861 10.320 11.464 1.00 0.00 C ATOM 803 OE1 GLN A 51 -11.731 10.739 12.229 1.00 0.00 O ATOM 804 NE2 GLN A 51 -9.660 10.868 11.418 1.00 0.00 N ATOM 0 H GLN A 51 -10.488 7.252 8.154 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.577 8.084 8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.959 10.612 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.614 10.341 9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.902 8.537 10.847 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.254 8.639 10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.957 10.503 10.776 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.436 11.657 12.025 1.00 0.00 H new ATOM 813 N GLY A 52 -12.336 8.714 5.587 1.00 0.00 N ATOM 814 CA GLY A 52 -12.932 9.119 4.316 1.00 0.00 C ATOM 815 C GLY A 52 -11.994 9.892 3.385 1.00 0.00 C ATOM 816 O GLY A 52 -12.387 10.200 2.266 1.00 0.00 O ATOM 0 H GLY A 52 -11.824 7.834 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.285 8.228 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.807 9.736 4.521 1.00 0.00 H new ATOM 820 N THR A 53 -10.751 10.189 3.776 1.00 0.00 N ATOM 821 CA THR A 53 -9.796 10.966 2.982 1.00 0.00 C ATOM 822 C THR A 53 -9.100 10.044 1.954 1.00 0.00 C ATOM 823 O THR A 53 -9.353 8.843 1.933 1.00 0.00 O ATOM 824 CB THR A 53 -8.829 11.690 3.949 1.00 0.00 C ATOM 825 OG1 THR A 53 -9.489 12.102 5.139 1.00 0.00 O ATOM 826 CG2 THR A 53 -8.243 12.964 3.335 1.00 0.00 C ATOM 0 H THR A 53 -10.373 9.889 4.674 1.00 0.00 H new ATOM 0 HA THR A 53 -10.292 11.738 2.394 1.00 0.00 H new ATOM 0 HB THR A 53 -8.044 10.963 4.159 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.326 11.445 5.848 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.571 13.437 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.690 12.711 2.430 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.050 13.653 3.086 1.00 0.00 H new ATOM 834 N PHE A 54 -8.220 10.563 1.094 1.00 0.00 N ATOM 835 CA PHE A 54 -7.631 9.842 -0.056 1.00 0.00 C ATOM 836 C PHE A 54 -6.176 9.357 0.170 1.00 0.00 C ATOM 837 O PHE A 54 -5.517 8.883 -0.749 1.00 0.00 O ATOM 838 CB PHE A 54 -7.761 10.734 -1.309 1.00 0.00 C ATOM 839 CG PHE A 54 -7.297 10.086 -2.607 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.996 8.984 -3.137 1.00 0.00 C ATOM 841 CD2 PHE A 54 -6.109 10.521 -3.232 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.504 8.305 -4.268 1.00 0.00 C ATOM 843 CE2 PHE A 54 -5.618 9.843 -4.363 1.00 0.00 C ATOM 844 CZ PHE A 54 -6.309 8.730 -4.876 1.00 0.00 C ATOM 0 H PHE A 54 -7.883 11.522 1.174 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.192 8.917 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.804 11.030 -1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -7.186 11.646 -1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.915 8.658 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.576 11.375 -2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.043 7.459 -4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.708 10.178 -4.839 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.922 8.203 -5.736 1.00 0.00 H new ATOM 854 N ILE A 55 -5.658 9.453 1.393 1.00 0.00 N ATOM 855 CA ILE A 55 -4.239 9.390 1.774 1.00 0.00 C ATOM 856 C ILE A 55 -3.584 7.992 1.566 1.00 0.00 C ATOM 857 O ILE A 55 -2.466 7.778 2.023 1.00 0.00 O ATOM 858 CB ILE A 55 -4.070 9.965 3.223 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.900 11.264 3.460 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.599 10.307 3.539 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.966 11.750 4.915 1.00 0.00 C ATOM 0 H ILE A 55 -6.259 9.587 2.206 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.675 10.021 1.087 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.431 9.172 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.478 12.061 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.917 11.094 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.527 10.702 4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.990 9.407 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.239 11.054 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.566 12.658 4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.420 10.978 5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.959 11.959 5.275 1.00 0.00 H new ATOM 873 N ILE A 56 -4.203 6.986 0.929 1.00 0.00 N ATOM 874 CA ILE A 56 -3.514 5.792 0.452 1.00 0.00 C ATOM 875 C ILE A 56 -4.253 5.152 -0.729 1.00 0.00 C ATOM 876 O ILE A 56 -5.481 5.212 -0.805 1.00 0.00 O ATOM 877 CB ILE A 56 -3.327 4.821 1.634 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.642 3.515 1.200 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.632 4.527 2.383 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.743 3.044 2.324 1.00 0.00 C ATOM 0 H ILE A 56 -5.204 6.985 0.732 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.530 6.063 0.070 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.669 5.335 2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.388 2.755 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.060 3.677 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.433 3.837 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.040 5.456 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.351 4.078 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.249 2.117 2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.991 3.805 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.340 2.870 3.219 1.00 0.00 H new ATOM 892 N GLY A 57 -3.511 4.486 -1.619 1.00 0.00 N ATOM 893 CA GLY A 57 -4.010 3.515 -2.582 1.00 0.00 C ATOM 894 C GLY A 57 -2.851 2.623 -3.028 1.00 0.00 C ATOM 895 O GLY A 57 -1.693 3.057 -3.003 1.00 0.00 O ATOM 0 H GLY A 57 -2.502 4.619 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.800 2.912 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.446 4.025 -3.441 1.00 0.00 H new ATOM 899 N PHE A 58 -3.110 1.384 -3.452 1.00 0.00 N ATOM 900 CA PHE A 58 -2.110 0.535 -4.091 1.00 0.00 C ATOM 901 C PHE A 58 -2.769 -0.376 -5.108 1.00 0.00 C ATOM 902 O PHE A 58 -3.966 -0.643 -5.029 1.00 0.00 O ATOM 903 CB PHE A 58 -1.255 -0.266 -3.082 1.00 0.00 C ATOM 904 CG PHE A 58 -1.934 -1.079 -1.999 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.736 -2.189 -2.319 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.674 -0.788 -0.648 1.00 0.00 C ATOM 907 CE1 PHE A 58 -3.330 -2.956 -1.301 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.252 -1.565 0.367 1.00 0.00 C ATOM 909 CZ PHE A 58 -3.093 -2.643 0.047 1.00 0.00 C ATOM 0 H PHE A 58 -4.025 0.942 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.413 1.195 -4.607 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.628 -0.948 -3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.588 0.440 -2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.897 -2.454 -3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.027 0.037 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.970 -3.788 -1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.049 -1.332 1.402 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.553 -3.226 0.831 1.00 0.00 H new ATOM 919 N SER A 59 -1.962 -0.914 -6.018 1.00 0.00 N ATOM 920 CA SER A 59 -2.425 -1.933 -6.941 1.00 0.00 C ATOM 921 C SER A 59 -1.286 -2.877 -7.291 1.00 0.00 C ATOM 922 O SER A 59 -0.103 -2.528 -7.192 1.00 0.00 O ATOM 923 CB SER A 59 -3.066 -1.323 -8.202 1.00 0.00 C ATOM 924 OG SER A 59 -3.141 0.093 -8.192 1.00 0.00 O ATOM 0 H SER A 59 -0.982 -0.657 -6.132 1.00 0.00 H new ATOM 0 HA SER A 59 -3.208 -2.506 -6.445 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.494 -1.639 -9.075 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.072 -1.728 -8.316 1.00 0.00 H new ATOM 0 HG SER A 59 -3.248 0.421 -9.109 1.00 0.00 H new ATOM 930 N THR A 60 -1.647 -4.089 -7.693 1.00 0.00 N ATOM 931 CA THR A 60 -0.748 -5.093 -8.207 1.00 0.00 C ATOM 932 C THR A 60 -0.182 -4.627 -9.547 1.00 0.00 C ATOM 933 O THR A 60 -0.818 -3.894 -10.313 1.00 0.00 O ATOM 934 CB THR A 60 -1.523 -6.417 -8.390 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.709 -6.211 -9.140 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.944 -7.039 -7.057 1.00 0.00 C ATOM 0 H THR A 60 -2.617 -4.404 -7.665 1.00 0.00 H new ATOM 0 HA THR A 60 0.075 -5.250 -7.510 1.00 0.00 H new ATOM 0 HB THR A 60 -0.837 -7.087 -8.908 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.399 -5.824 -8.561 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.485 -7.967 -7.243 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.058 -7.249 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.589 -6.345 -6.519 1.00 0.00 H new ATOM 944 N SER A 61 0.990 -5.138 -9.867 1.00 0.00 N ATOM 945 CA SER A 61 1.547 -5.268 -11.191 1.00 0.00 C ATOM 946 C SER A 61 2.097 -6.696 -11.248 1.00 0.00 C ATOM 947 O SER A 61 2.293 -7.349 -10.217 1.00 0.00 O ATOM 948 CB SER A 61 2.614 -4.184 -11.354 1.00 0.00 C ATOM 949 OG SER A 61 3.351 -4.277 -12.557 1.00 0.00 O ATOM 0 H SER A 61 1.622 -5.499 -9.152 1.00 0.00 H new ATOM 0 HA SER A 61 0.839 -5.127 -12.008 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.134 -3.207 -11.309 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.304 -4.239 -10.512 1.00 0.00 H new ATOM 0 HG SER A 61 4.231 -3.864 -12.434 1.00 0.00 H new ATOM 955 N LYS A 62 2.369 -7.181 -12.458 1.00 0.00 N ATOM 956 CA LYS A 62 2.668 -8.584 -12.735 1.00 0.00 C ATOM 957 C LYS A 62 3.705 -9.183 -11.791 1.00 0.00 C ATOM 958 O LYS A 62 3.530 -10.314 -11.349 1.00 0.00 O ATOM 959 CB LYS A 62 3.089 -8.714 -14.203 1.00 0.00 C ATOM 960 CG LYS A 62 1.863 -8.774 -15.106 1.00 0.00 C ATOM 961 CD LYS A 62 2.188 -8.459 -16.569 1.00 0.00 C ATOM 962 CE LYS A 62 0.902 -7.866 -17.126 1.00 0.00 C ATOM 963 NZ LYS A 62 1.034 -7.347 -18.499 1.00 0.00 N ATOM 0 H LYS A 62 2.388 -6.595 -13.293 1.00 0.00 H new ATOM 0 HA LYS A 62 1.764 -9.166 -12.555 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.714 -7.867 -14.485 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.691 -9.613 -14.337 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.419 -9.768 -15.043 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.116 -8.068 -14.744 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.017 -7.755 -16.649 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.479 -9.357 -17.113 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.124 -8.629 -17.109 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.572 -7.059 -16.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.121 -6.959 -18.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.754 -6.597 -18.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.320 -8.118 -19.136 1.00 0.00 H new ATOM 977 N HIS A 63 4.759 -8.436 -11.449 1.00 0.00 N ATOM 978 CA HIS A 63 5.862 -8.938 -10.627 1.00 0.00 C ATOM 979 C HIS A 63 6.118 -8.078 -9.391 1.00 0.00 C ATOM 980 O HIS A 63 7.138 -8.278 -8.726 1.00 0.00 O ATOM 981 CB HIS A 63 7.108 -9.134 -11.498 1.00 0.00 C ATOM 982 CG HIS A 63 6.825 -10.123 -12.592 1.00 0.00 C ATOM 983 ND1 HIS A 63 6.640 -11.474 -12.417 1.00 0.00 N ATOM 984 CD2 HIS A 63 6.455 -9.808 -13.865 1.00 0.00 C ATOM 985 CE1 HIS A 63 6.139 -11.966 -13.560 1.00 0.00 C ATOM 986 NE2 HIS A 63 6.023 -10.987 -14.482 1.00 0.00 N ATOM 0 H HIS A 63 4.871 -7.464 -11.736 1.00 0.00 H new ATOM 0 HA HIS A 63 5.578 -9.911 -10.226 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.413 -8.181 -11.929 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.938 -9.486 -10.885 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.489 -8.827 -14.316 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.867 -12.999 -13.720 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.687 -11.087 -15.440 1.00 0.00 H new ATOM 994 N HIS A 64 5.253 -7.107 -9.084 1.00 0.00 N ATOM 995 CA HIS A 64 5.441 -6.239 -7.920 1.00 0.00 C ATOM 996 C HIS A 64 4.134 -5.586 -7.465 1.00 0.00 C ATOM 997 O HIS A 64 3.212 -5.418 -8.259 1.00 0.00 O ATOM 998 CB HIS A 64 6.499 -5.160 -8.242 1.00 0.00 C ATOM 999 CG HIS A 64 6.381 -4.484 -9.582 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.109 -4.811 -10.705 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.584 -3.415 -9.887 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.737 -3.963 -11.681 1.00 0.00 C ATOM 1003 NE2 HIS A 64 5.802 -3.103 -11.233 1.00 0.00 N ATOM 0 H HIS A 64 4.414 -6.903 -9.627 1.00 0.00 H new ATOM 0 HA HIS A 64 5.789 -6.861 -7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.452 -4.394 -7.468 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.486 -5.619 -8.177 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.911 -2.906 -9.213 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.134 -3.971 -12.686 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.343 -2.368 -11.770 1.00 0.00 H new ATOM 1011 N LEU A 65 4.056 -5.163 -6.200 1.00 0.00 N ATOM 1012 CA LEU A 65 2.992 -4.280 -5.706 1.00 0.00 C ATOM 1013 C LEU A 65 3.399 -2.830 -5.983 1.00 0.00 C ATOM 1014 O LEU A 65 4.590 -2.567 -6.074 1.00 0.00 O ATOM 1015 CB LEU A 65 2.823 -4.491 -4.190 1.00 0.00 C ATOM 1016 CG LEU A 65 1.613 -3.760 -3.576 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.263 -4.297 -4.057 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.687 -3.853 -2.050 1.00 0.00 C ATOM 0 H LEU A 65 4.733 -5.425 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 65 2.049 -4.503 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.725 -5.559 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.729 -4.155 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 65 1.670 -2.724 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.542 -3.735 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.193 -4.189 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.175 -5.350 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.833 -3.337 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.672 -4.900 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.609 -3.388 -1.701 1.00 0.00 H new ATOM 1030 N SER A 66 2.461 -1.883 -6.066 1.00 0.00 N ATOM 1031 CA SER A 66 2.718 -0.459 -6.296 1.00 0.00 C ATOM 1032 C SER A 66 2.061 0.381 -5.179 1.00 0.00 C ATOM 1033 O SER A 66 0.834 0.405 -5.112 1.00 0.00 O ATOM 1034 CB SER A 66 2.204 -0.061 -7.698 1.00 0.00 C ATOM 1035 OG SER A 66 1.900 -1.154 -8.563 1.00 0.00 O ATOM 0 H SER A 66 1.468 -2.094 -5.972 1.00 0.00 H new ATOM 0 HA SER A 66 3.790 -0.263 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.308 0.549 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.955 0.565 -8.179 1.00 0.00 H new ATOM 0 HG SER A 66 1.164 -1.677 -8.183 1.00 0.00 H new ATOM 1041 N VAL A 67 2.824 1.047 -4.301 1.00 0.00 N ATOM 1042 CA VAL A 67 2.394 1.661 -3.030 1.00 0.00 C ATOM 1043 C VAL A 67 2.816 3.135 -2.969 1.00 0.00 C ATOM 1044 O VAL A 67 3.918 3.485 -3.395 1.00 0.00 O ATOM 1045 CB VAL A 67 2.996 0.839 -1.859 1.00 0.00 C ATOM 1046 CG1 VAL A 67 2.968 1.482 -0.460 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.244 -0.492 -1.770 1.00 0.00 C ATOM 0 H VAL A 67 3.821 1.182 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 67 1.307 1.644 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 67 4.053 0.747 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.419 0.802 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.529 2.416 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.936 1.684 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.652 -1.086 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.186 -0.301 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.358 -1.038 -2.707 1.00 0.00 H new ATOM 1057 N SER A 68 1.946 3.989 -2.420 1.00 0.00 N ATOM 1058 CA SER A 68 2.212 5.350 -1.968 1.00 0.00 C ATOM 1059 C SER A 68 1.045 5.799 -1.066 1.00 0.00 C ATOM 1060 O SER A 68 -0.019 5.166 -1.130 1.00 0.00 O ATOM 1061 CB SER A 68 2.384 6.263 -3.199 1.00 0.00 C ATOM 1062 OG SER A 68 2.896 7.546 -2.878 1.00 0.00 O ATOM 0 H SER A 68 0.972 3.725 -2.272 1.00 0.00 H new ATOM 0 HA SER A 68 3.132 5.405 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.054 5.780 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.420 6.378 -3.695 1.00 0.00 H new ATOM 0 HG SER A 68 2.266 8.234 -3.177 1.00 0.00 H new ATOM 1068 N PRO A 69 1.204 6.819 -0.196 1.00 0.00 N ATOM 1069 CA PRO A 69 0.055 7.442 0.444 1.00 0.00 C ATOM 1070 C PRO A 69 -0.579 8.508 -0.469 1.00 0.00 C ATOM 1071 O PRO A 69 -1.668 8.292 -1.002 1.00 0.00 O ATOM 1072 CB PRO A 69 0.623 8.055 1.730 1.00 0.00 C ATOM 1073 CG PRO A 69 2.096 8.335 1.424 1.00 0.00 C ATOM 1074 CD PRO A 69 2.457 7.271 0.389 1.00 0.00 C ATOM 0 HA PRO A 69 -0.745 6.732 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.095 8.971 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.519 7.371 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.239 9.341 1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.714 8.251 2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.116 7.682 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.989 6.441 0.855 1.00 0.00 H new ATOM 1082 N GLU A 70 0.200 9.518 -0.866 1.00 0.00 N ATOM 1083 CA GLU A 70 -0.132 10.486 -1.904 1.00 0.00 C ATOM 1084 C GLU A 70 1.147 10.578 -2.737 1.00 0.00 C ATOM 1085 O GLU A 70 1.386 9.747 -3.616 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.528 11.866 -1.309 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.787 11.933 -0.437 1.00 0.00 C ATOM 1088 CD GLU A 70 -2.089 13.384 -0.019 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.288 13.966 0.759 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -3.100 13.954 -0.484 1.00 0.00 O ATOM 0 H GLU A 70 1.117 9.687 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.998 10.182 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.311 12.228 -0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.656 12.563 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.636 11.524 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.653 11.315 0.451 1.00 0.00 H new ATOM 1097 N GLU A 71 2.067 11.445 -2.313 1.00 0.00 N ATOM 1098 CA GLU A 71 3.286 11.811 -3.018 1.00 0.00 C ATOM 1099 C GLU A 71 4.486 11.878 -2.074 1.00 0.00 C ATOM 1100 O GLU A 71 5.594 11.578 -2.507 1.00 0.00 O ATOM 1101 CB GLU A 71 3.115 13.145 -3.763 1.00 0.00 C ATOM 1102 CG GLU A 71 2.557 14.260 -2.863 1.00 0.00 C ATOM 1103 CD GLU A 71 2.737 15.676 -3.418 1.00 0.00 C ATOM 1104 OE1 GLU A 71 3.761 15.948 -4.098 1.00 0.00 O ATOM 1105 OE2 GLU A 71 1.936 16.566 -3.073 1.00 0.00 O ATOM 0 H GLU A 71 1.973 11.933 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 71 3.480 11.028 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.078 13.457 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.446 13.000 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.494 14.080 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.043 14.201 -1.889 1.00 0.00 H new ATOM 1112 N ILE A 72 4.296 12.232 -0.794 1.00 0.00 N ATOM 1113 CA ILE A 72 5.400 12.611 0.091 1.00 0.00 C ATOM 1114 C ILE A 72 6.388 11.457 0.294 1.00 0.00 C ATOM 1115 O ILE A 72 7.603 11.665 0.388 1.00 0.00 O ATOM 1116 CB ILE A 72 4.834 13.188 1.408 1.00 0.00 C ATOM 1117 CG1 ILE A 72 5.936 13.973 2.139 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.196 12.132 2.334 1.00 0.00 C ATOM 1119 CD1 ILE A 72 5.405 14.876 3.249 1.00 0.00 C ATOM 0 H ILE A 72 3.379 12.263 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 72 5.987 13.400 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 72 4.017 13.856 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.651 13.269 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.479 14.581 1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.823 12.617 3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.370 11.645 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.944 11.387 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.236 15.399 3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.712 15.603 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.887 14.271 3.993 1.00 0.00 H new ATOM 1131 N GLY A 73 5.867 10.227 0.272 1.00 0.00 N ATOM 1132 CA GLY A 73 6.625 8.984 0.296 1.00 0.00 C ATOM 1133 C GLY A 73 7.646 8.869 -0.839 1.00 0.00 C ATOM 1134 O GLY A 73 8.694 8.248 -0.680 1.00 0.00 O ATOM 0 H GLY A 73 4.860 10.069 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.144 8.903 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.933 8.144 0.238 1.00 0.00 H new ATOM 1138 N ILE A 74 7.370 9.493 -1.981 1.00 0.00 N ATOM 1139 CA ILE A 74 8.208 9.499 -3.177 1.00 0.00 C ATOM 1140 C ILE A 74 9.043 10.783 -3.229 1.00 0.00 C ATOM 1141 O ILE A 74 9.917 10.925 -4.091 1.00 0.00 O ATOM 1142 CB ILE A 74 7.324 9.303 -4.433 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.269 8.192 -4.235 1.00 0.00 C ATOM 1144 CG2 ILE A 74 8.171 8.980 -5.675 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.862 6.826 -3.864 1.00 0.00 C ATOM 0 H ILE A 74 6.514 10.035 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 74 8.913 8.668 -3.146 1.00 0.00 H new ATOM 0 HB ILE A 74 6.806 10.250 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.575 8.500 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.690 8.088 -5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.517 8.849 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.864 9.800 -5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.733 8.062 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.057 6.101 -3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.534 6.494 -4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.417 6.912 -2.930 1.00 0.00 H new ATOM 1157 N SER A 75 8.809 11.707 -2.301 1.00 0.00 N ATOM 1158 CA SER A 75 9.525 12.951 -2.179 1.00 0.00 C ATOM 1159 C SER A 75 10.617 12.792 -1.118 1.00 0.00 C ATOM 1160 O SER A 75 11.763 12.537 -1.486 1.00 0.00 O ATOM 1161 CB SER A 75 8.520 14.064 -1.903 1.00 0.00 C ATOM 1162 OG SER A 75 7.551 14.112 -2.932 1.00 0.00 O ATOM 0 H SER A 75 8.085 11.595 -1.591 1.00 0.00 H new ATOM 0 HA SER A 75 10.041 13.228 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.033 13.895 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.036 15.022 -1.834 1.00 0.00 H new ATOM 0 HG SER A 75 6.936 13.355 -2.838 1.00 0.00 H new ATOM 1168 N GLN A 76 10.299 12.880 0.181 1.00 0.00 N ATOM 1169 CA GLN A 76 11.315 12.905 1.226 1.00 0.00 C ATOM 1170 C GLN A 76 11.743 11.484 1.577 1.00 0.00 C ATOM 1171 O GLN A 76 12.929 11.248 1.816 1.00 0.00 O ATOM 1172 CB GLN A 76 10.850 13.717 2.456 1.00 0.00 C ATOM 1173 CG GLN A 76 9.662 13.100 3.206 1.00 0.00 C ATOM 1174 CD GLN A 76 9.196 13.899 4.422 1.00 0.00 C ATOM 1175 OE1 GLN A 76 8.833 15.064 4.342 1.00 0.00 O ATOM 1176 NE2 GLN A 76 9.185 13.284 5.592 1.00 0.00 N ATOM 0 H GLN A 76 9.341 12.935 0.527 1.00 0.00 H new ATOM 0 HA GLN A 76 12.195 13.425 0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.687 13.820 3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.578 14.722 2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.826 12.995 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.935 12.096 3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.487 12.312 5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.874 13.781 6.427 1.00 0.00 H new ATOM 1185 N PHE A 77 10.809 10.523 1.585 1.00 0.00 N ATOM 1186 CA PHE A 77 11.122 9.168 2.029 1.00 0.00 C ATOM 1187 C PHE A 77 11.810 8.349 0.924 1.00 0.00 C ATOM 1188 O PHE A 77 12.348 7.275 1.196 1.00 0.00 O ATOM 1189 CB PHE A 77 9.887 8.438 2.574 1.00 0.00 C ATOM 1190 CG PHE A 77 9.138 9.127 3.704 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.193 10.126 3.410 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.347 8.750 5.046 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.467 10.748 4.435 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.610 9.370 6.075 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.673 10.373 5.769 1.00 0.00 C ATOM 0 H PHE A 77 9.842 10.661 1.291 1.00 0.00 H new ATOM 0 HA PHE A 77 11.828 9.267 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.192 8.281 1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.198 7.453 2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.025 10.417 2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 77 10.072 7.986 5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.748 11.517 4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.765 9.074 7.102 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.114 10.852 6.559 1.00 0.00 H new ATOM 1205 N ALA A 78 11.823 8.852 -0.317 1.00 0.00 N ATOM 1206 CA ALA A 78 12.374 8.150 -1.469 1.00 0.00 C ATOM 1207 C ALA A 78 13.866 7.866 -1.341 1.00 0.00 C ATOM 1208 O ALA A 78 14.356 6.920 -1.964 1.00 0.00 O ATOM 1209 CB ALA A 78 12.124 8.965 -2.733 1.00 0.00 C ATOM 0 H ALA A 78 11.444 9.771 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 78 11.867 7.187 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.537 8.438 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.052 9.102 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.605 9.939 -2.639 1.00 0.00 H new ATOM 1215 N ASP A 79 14.594 8.667 -0.563 1.00 0.00 N ATOM 1216 CA ASP A 79 16.013 8.430 -0.339 1.00 0.00 C ATOM 1217 C ASP A 79 16.200 7.148 0.463 1.00 0.00 C ATOM 1218 O ASP A 79 16.904 6.242 0.022 1.00 0.00 O ATOM 1219 CB ASP A 79 16.663 9.609 0.377 1.00 0.00 C ATOM 1220 CG ASP A 79 18.177 9.453 0.304 1.00 0.00 C ATOM 1221 OD1 ASP A 79 18.707 9.569 -0.829 1.00 0.00 O ATOM 1222 OD2 ASP A 79 18.796 9.192 1.354 1.00 0.00 O ATOM 0 H ASP A 79 14.221 9.484 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 79 16.502 8.321 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.357 10.547 -0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.337 9.646 1.416 1.00 0.00 H new ATOM 1227 N ALA A 80 15.505 7.035 1.599 1.00 0.00 N ATOM 1228 CA ALA A 80 15.511 5.847 2.435 1.00 0.00 C ATOM 1229 C ALA A 80 15.012 4.612 1.667 1.00 0.00 C ATOM 1230 O ALA A 80 15.570 3.528 1.859 1.00 0.00 O ATOM 1231 CB ALA A 80 14.688 6.126 3.699 1.00 0.00 C ATOM 0 H ALA A 80 14.915 7.783 1.963 1.00 0.00 H new ATOM 0 HA ALA A 80 16.534 5.615 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.686 5.240 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 80 15.128 6.962 4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.664 6.375 3.419 1.00 0.00 H new ATOM 1237 N ILE A 81 13.996 4.751 0.801 1.00 0.00 N ATOM 1238 CA ILE A 81 13.529 3.672 -0.084 1.00 0.00 C ATOM 1239 C ILE A 81 14.689 3.213 -0.977 1.00 0.00 C ATOM 1240 O ILE A 81 14.962 2.009 -1.059 1.00 0.00 O ATOM 1241 CB ILE A 81 12.298 4.117 -0.924 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.061 4.325 -0.019 1.00 0.00 C ATOM 1243 CG2 ILE A 81 11.935 3.109 -2.038 1.00 0.00 C ATOM 1244 CD1 ILE A 81 9.851 4.924 -0.752 1.00 0.00 C ATOM 0 H ILE A 81 13.472 5.620 0.694 1.00 0.00 H new ATOM 0 HA ILE A 81 13.199 2.830 0.525 1.00 0.00 H new ATOM 0 HB ILE A 81 12.582 5.057 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.774 3.367 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.334 4.980 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.069 3.473 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.779 2.999 -2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.701 2.142 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.023 5.040 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.119 5.898 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.551 4.260 -1.562 1.00 0.00 H new ATOM 1256 N ALA A 82 15.341 4.155 -1.665 1.00 0.00 N ATOM 1257 CA ALA A 82 16.398 3.862 -2.621 1.00 0.00 C ATOM 1258 C ALA A 82 17.562 3.171 -1.925 1.00 0.00 C ATOM 1259 O ALA A 82 18.005 2.128 -2.402 1.00 0.00 O ATOM 1260 CB ALA A 82 16.873 5.150 -3.288 1.00 0.00 C ATOM 0 H ALA A 82 15.143 5.151 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 82 16.003 3.194 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.664 4.920 -4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.039 5.619 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.256 5.833 -2.529 1.00 0.00 H new ATOM 1266 N GLN A 83 18.008 3.731 -0.796 1.00 0.00 N ATOM 1267 CA GLN A 83 19.057 3.195 0.057 1.00 0.00 C ATOM 1268 C GLN A 83 18.773 1.747 0.442 1.00 0.00 C ATOM 1269 O GLN A 83 19.689 0.924 0.419 1.00 0.00 O ATOM 1270 CB GLN A 83 19.159 4.023 1.338 1.00 0.00 C ATOM 1271 CG GLN A 83 20.036 5.277 1.257 1.00 0.00 C ATOM 1272 CD GLN A 83 20.146 5.883 2.655 1.00 0.00 C ATOM 1273 OE1 GLN A 83 20.601 5.235 3.593 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.706 7.106 2.868 1.00 0.00 N ATOM 0 H GLN A 83 17.627 4.608 -0.442 1.00 0.00 H new ATOM 0 HA GLN A 83 19.991 3.239 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.154 4.325 1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 83 19.546 3.383 2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.025 5.023 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.602 5.998 0.565 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.326 7.653 2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.745 7.506 3.805 1.00 0.00 H new ATOM 1283 N ALA A 84 17.528 1.432 0.816 1.00 0.00 N ATOM 1284 CA ALA A 84 17.125 0.087 1.208 1.00 0.00 C ATOM 1285 C ALA A 84 17.101 -0.889 0.017 1.00 0.00 C ATOM 1286 O ALA A 84 16.938 -2.096 0.219 1.00 0.00 O ATOM 1287 CB ALA A 84 15.771 0.150 1.916 1.00 0.00 C ATOM 0 H ALA A 84 16.769 2.113 0.854 1.00 0.00 H new ATOM 0 HA ALA A 84 17.870 -0.307 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.467 -0.855 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.853 0.779 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.026 0.571 1.240 1.00 0.00 H new ATOM 1293 N GLY A 85 17.316 -0.411 -1.210 1.00 0.00 N ATOM 1294 CA GLY A 85 17.463 -1.220 -2.410 1.00 0.00 C ATOM 1295 C GLY A 85 16.174 -1.318 -3.218 1.00 0.00 C ATOM 1296 O GLY A 85 16.117 -2.126 -4.145 1.00 0.00 O ATOM 0 H GLY A 85 17.395 0.589 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.247 -0.794 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.788 -2.222 -2.130 1.00 0.00 H new ATOM 1300 N TYR A 86 15.139 -0.539 -2.889 1.00 0.00 N ATOM 1301 CA TYR A 86 13.838 -0.633 -3.539 1.00 0.00 C ATOM 1302 C TYR A 86 13.672 0.447 -4.596 1.00 0.00 C ATOM 1303 O TYR A 86 14.414 1.433 -4.644 1.00 0.00 O ATOM 1304 CB TYR A 86 12.726 -0.608 -2.490 1.00 0.00 C ATOM 1305 CG TYR A 86 12.831 -1.788 -1.553 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.635 -3.093 -2.050 1.00 0.00 C ATOM 1307 CD2 TYR A 86 13.248 -1.591 -0.225 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.877 -4.202 -1.224 1.00 0.00 C ATOM 1309 CE2 TYR A 86 13.524 -2.697 0.590 1.00 0.00 C ATOM 1310 CZ TYR A 86 13.352 -4.004 0.088 1.00 0.00 C ATOM 1311 OH TYR A 86 13.778 -5.066 0.815 1.00 0.00 O ATOM 0 H TYR A 86 15.185 0.175 -2.162 1.00 0.00 H new ATOM 0 HA TYR A 86 13.770 -1.585 -4.065 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.782 0.319 -1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 86 11.755 -0.619 -2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.299 -3.239 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.355 -0.590 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.700 -5.202 -1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.869 -2.549 1.603 1.00 0.00 H new ATOM 0 HH TYR A 86 14.075 -4.760 1.698 1.00 0.00 H new ATOM 1321 N SER A 87 12.687 0.237 -5.464 1.00 0.00 N ATOM 1322 CA SER A 87 12.707 0.745 -6.821 1.00 0.00 C ATOM 1323 C SER A 87 11.445 1.578 -7.059 1.00 0.00 C ATOM 1324 O SER A 87 10.380 1.051 -7.382 1.00 0.00 O ATOM 1325 CB SER A 87 12.869 -0.455 -7.771 1.00 0.00 C ATOM 1326 OG SER A 87 13.903 -1.333 -7.339 1.00 0.00 O ATOM 0 H SER A 87 11.847 -0.296 -5.238 1.00 0.00 H new ATOM 0 HA SER A 87 13.546 1.416 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.928 -1.002 -7.830 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.092 -0.096 -8.776 1.00 0.00 H new ATOM 0 HG SER A 87 13.977 -2.084 -7.964 1.00 0.00 H new ATOM 1332 N ALA A 88 11.532 2.890 -6.842 1.00 0.00 N ATOM 1333 CA ALA A 88 10.411 3.805 -6.995 1.00 0.00 C ATOM 1334 C ALA A 88 10.169 4.178 -8.465 1.00 0.00 C ATOM 1335 O ALA A 88 11.043 3.973 -9.321 1.00 0.00 O ATOM 1336 CB ALA A 88 10.648 5.045 -6.124 1.00 0.00 C ATOM 0 H ALA A 88 12.395 3.349 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 88 9.503 3.305 -6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.810 5.733 -6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.735 4.745 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.568 5.539 -6.437 1.00 0.00 H new ATOM 1342 N THR A 89 9.004 4.757 -8.748 1.00 0.00 N ATOM 1343 CA THR A 89 8.747 5.681 -9.850 1.00 0.00 C ATOM 1344 C THR A 89 8.693 7.087 -9.229 1.00 0.00 C ATOM 1345 O THR A 89 9.212 7.296 -8.132 1.00 0.00 O ATOM 1346 CB THR A 89 7.471 5.286 -10.626 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.340 5.227 -9.790 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.622 3.934 -11.324 1.00 0.00 C ATOM 0 H THR A 89 8.171 4.585 -8.185 1.00 0.00 H new ATOM 0 HA THR A 89 9.534 5.651 -10.603 1.00 0.00 H new ATOM 0 HB THR A 89 7.330 6.068 -11.372 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.625 5.235 -8.853 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.702 3.695 -11.858 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.450 3.980 -12.031 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.822 3.161 -10.581 1.00 0.00 H new ATOM 1356 N LYS A 90 8.166 8.090 -9.936 1.00 0.00 N ATOM 1357 CA LYS A 90 8.080 9.461 -9.430 1.00 0.00 C ATOM 1358 C LYS A 90 6.719 9.758 -8.783 1.00 0.00 C ATOM 1359 O LYS A 90 6.542 10.847 -8.241 1.00 0.00 O ATOM 1360 CB LYS A 90 8.455 10.455 -10.546 1.00 0.00 C ATOM 1361 CG LYS A 90 9.982 10.603 -10.728 1.00 0.00 C ATOM 1362 CD LYS A 90 10.753 9.433 -11.380 1.00 0.00 C ATOM 1363 CE LYS A 90 11.169 9.682 -12.834 1.00 0.00 C ATOM 1364 NZ LYS A 90 10.004 9.796 -13.729 1.00 0.00 N ATOM 0 H LYS A 90 7.787 7.974 -10.876 1.00 0.00 H new ATOM 0 HA LYS A 90 8.805 9.583 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.012 10.124 -11.485 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.025 11.430 -10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.162 11.496 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.419 10.785 -9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.646 9.228 -10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.132 8.538 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.761 10.596 -12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.808 8.867 -13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.329 9.964 -14.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.453 8.915 -13.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.407 10.590 -13.422 1.00 0.00 H new ATOM 1378 N GLY A 91 5.779 8.807 -8.784 1.00 0.00 N ATOM 1379 CA GLY A 91 4.441 8.964 -8.211 1.00 0.00 C ATOM 1380 C GLY A 91 3.959 7.741 -7.426 1.00 0.00 C ATOM 1381 O GLY A 91 2.871 7.783 -6.854 1.00 0.00 O ATOM 0 H GLY A 91 5.933 7.885 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.438 9.832 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.734 9.171 -9.014 1.00 0.00 H new ATOM 1385 N LEU A 92 4.736 6.653 -7.367 1.00 0.00 N ATOM 1386 CA LEU A 92 4.577 5.581 -6.385 1.00 0.00 C ATOM 1387 C LEU A 92 5.915 4.862 -6.208 1.00 0.00 C ATOM 1388 O LEU A 92 6.889 5.194 -6.886 1.00 0.00 O ATOM 1389 CB LEU A 92 3.409 4.629 -6.735 1.00 0.00 C ATOM 1390 CG LEU A 92 3.433 3.917 -8.103 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.480 2.798 -8.190 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.040 3.327 -8.356 1.00 0.00 C ATOM 0 H LEU A 92 5.507 6.493 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 92 4.296 6.014 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.361 3.862 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.483 5.201 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 92 3.707 4.656 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.442 2.340 -9.179 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.473 3.215 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.270 2.043 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.030 2.817 -9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.797 2.616 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.301 4.128 -8.362 1.00 0.00 H new ATOM 1404 N PHE A 93 5.990 3.875 -5.313 1.00 0.00 N ATOM 1405 CA PHE A 93 7.113 2.939 -5.273 1.00 0.00 C ATOM 1406 C PHE A 93 6.623 1.504 -5.379 1.00 0.00 C ATOM 1407 O PHE A 93 5.436 1.244 -5.197 1.00 0.00 O ATOM 1408 CB PHE A 93 8.026 3.166 -4.052 1.00 0.00 C ATOM 1409 CG PHE A 93 7.481 2.644 -2.733 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.607 1.278 -2.406 1.00 0.00 C ATOM 1411 CD2 PHE A 93 6.857 3.515 -1.819 1.00 0.00 C ATOM 1412 CE1 PHE A 93 7.053 0.783 -1.217 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.325 3.021 -0.617 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.410 1.652 -0.320 1.00 0.00 C ATOM 0 H PHE A 93 5.280 3.703 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 93 7.737 3.136 -6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.988 2.690 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.214 4.235 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.132 0.611 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.787 4.569 -2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.121 -0.271 -0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.850 3.695 0.080 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.983 1.268 0.595 1.00 0.00 H new ATOM 1424 N ARG A 94 7.516 0.555 -5.679 1.00 0.00 N ATOM 1425 CA ARG A 94 7.131 -0.846 -5.792 1.00 0.00 C ATOM 1426 C ARG A 94 8.159 -1.767 -5.157 1.00 0.00 C ATOM 1427 O ARG A 94 9.343 -1.425 -5.129 1.00 0.00 O ATOM 1428 CB ARG A 94 6.803 -1.177 -7.261 1.00 0.00 C ATOM 1429 CG ARG A 94 7.819 -0.858 -8.356 1.00 0.00 C ATOM 1430 CD ARG A 94 9.001 -1.833 -8.393 1.00 0.00 C ATOM 1431 NE ARG A 94 9.508 -1.908 -9.766 1.00 0.00 N ATOM 1432 CZ ARG A 94 9.937 -2.999 -10.405 1.00 0.00 C ATOM 1433 NH1 ARG A 94 10.319 -4.084 -9.742 1.00 0.00 N ATOM 1434 NH2 ARG A 94 9.951 -2.964 -11.730 1.00 0.00 N ATOM 0 H ARG A 94 8.506 0.736 -5.846 1.00 0.00 H new ATOM 0 HA ARG A 94 6.220 -1.022 -5.219 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.592 -2.245 -7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 94 5.879 -0.657 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.316 -0.872 -9.323 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.197 0.154 -8.207 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.788 -1.498 -7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.687 -2.820 -8.052 1.00 0.00 H new ATOM 0 HE ARG A 94 9.536 -1.033 -10.289 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.288 -4.096 -8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.643 -4.906 -10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.642 -2.125 -12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.271 -3.776 -12.258 1.00 0.00 H new ATOM 1448 N ILE A 95 7.708 -2.933 -4.691 1.00 0.00 N ATOM 1449 CA ILE A 95 8.545 -4.014 -4.174 1.00 0.00 C ATOM 1450 C ILE A 95 8.193 -5.251 -5.015 1.00 0.00 C ATOM 1451 O ILE A 95 7.009 -5.447 -5.304 1.00 0.00 O ATOM 1452 CB ILE A 95 8.200 -4.273 -2.682 1.00 0.00 C ATOM 1453 CG1 ILE A 95 8.167 -3.013 -1.784 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.130 -5.334 -2.072 1.00 0.00 C ATOM 1455 CD1 ILE A 95 9.506 -2.315 -1.561 1.00 0.00 C ATOM 0 H ILE A 95 6.713 -3.157 -4.663 1.00 0.00 H new ATOM 0 HA ILE A 95 9.606 -3.773 -4.236 1.00 0.00 H new ATOM 0 HB ILE A 95 7.175 -4.643 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.475 -2.295 -2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.760 -3.294 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.864 -5.494 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.023 -6.270 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.163 -4.992 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.361 -1.447 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.202 -3.006 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.912 -1.992 -2.520 1.00 0.00 H new ATOM 1467 N PRO A 96 9.153 -6.125 -5.359 1.00 0.00 N ATOM 1468 CA PRO A 96 8.877 -7.330 -6.136 1.00 0.00 C ATOM 1469 C PRO A 96 8.271 -8.431 -5.267 1.00 0.00 C ATOM 1470 O PRO A 96 8.586 -8.528 -4.084 1.00 0.00 O ATOM 1471 CB PRO A 96 10.226 -7.746 -6.719 1.00 0.00 C ATOM 1472 CG PRO A 96 11.209 -7.261 -5.660 1.00 0.00 C ATOM 1473 CD PRO A 96 10.588 -5.952 -5.187 1.00 0.00 C ATOM 0 HA PRO A 96 8.141 -7.147 -6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.289 -8.824 -6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.410 -7.280 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.309 -7.977 -4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.205 -7.108 -6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.838 -5.752 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.956 -5.108 -5.771 1.00 0.00 H new ATOM 1481 N TRP A 97 7.449 -9.309 -5.852 1.00 0.00 N ATOM 1482 CA TRP A 97 6.737 -10.357 -5.104 1.00 0.00 C ATOM 1483 C TRP A 97 7.650 -11.373 -4.394 1.00 0.00 C ATOM 1484 O TRP A 97 7.217 -12.056 -3.468 1.00 0.00 O ATOM 1485 CB TRP A 97 5.780 -11.104 -6.031 1.00 0.00 C ATOM 1486 CG TRP A 97 4.669 -10.296 -6.637 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.297 -10.367 -7.931 1.00 0.00 C ATOM 1488 CD2 TRP A 97 3.703 -9.400 -6.002 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.217 -9.540 -8.164 1.00 0.00 N ATOM 1490 CE2 TRP A 97 2.819 -8.910 -7.009 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.456 -8.972 -4.681 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 1.778 -8.015 -6.730 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.375 -8.124 -4.378 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.545 -7.635 -5.399 1.00 0.00 C ATOM 0 H TRP A 97 7.257 -9.315 -6.854 1.00 0.00 H new ATOM 0 HA TRP A 97 6.195 -9.832 -4.317 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.363 -11.544 -6.840 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.337 -11.928 -5.472 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.776 -10.983 -8.678 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.773 -9.413 -9.073 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.109 -9.302 -3.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.164 -7.623 -7.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.182 -7.847 -3.352 1.00 0.00 H new ATOM 0 HH2 TRP A 97 0.729 -6.968 -5.161 1.00 0.00 H new ATOM 1505 N ASN A 98 8.906 -11.502 -4.831 1.00 0.00 N ATOM 1506 CA ASN A 98 9.895 -12.358 -4.170 1.00 0.00 C ATOM 1507 C ASN A 98 10.335 -11.784 -2.826 1.00 0.00 C ATOM 1508 O ASN A 98 10.705 -12.534 -1.926 1.00 0.00 O ATOM 1509 CB ASN A 98 11.160 -12.488 -5.036 1.00 0.00 C ATOM 1510 CG ASN A 98 12.205 -13.396 -4.380 1.00 0.00 C ATOM 1511 OD1 ASN A 98 12.208 -14.601 -4.605 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.157 -12.872 -3.622 1.00 0.00 N ATOM 0 H ASN A 98 9.266 -11.016 -5.653 1.00 0.00 H new ATOM 0 HA ASN A 98 9.414 -13.325 -4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.892 -12.889 -6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.590 -11.500 -5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.885 -13.470 -3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.162 -11.870 -3.430 1.00 0.00 H new ATOM 1519 N ASP A 99 10.419 -10.458 -2.721 1.00 0.00 N ATOM 1520 CA ASP A 99 11.346 -9.794 -1.813 1.00 0.00 C ATOM 1521 C ASP A 99 10.567 -8.933 -0.815 1.00 0.00 C ATOM 1522 O ASP A 99 9.385 -8.654 -1.042 1.00 0.00 O ATOM 1523 CB ASP A 99 12.410 -9.047 -2.638 1.00 0.00 C ATOM 1524 CG ASP A 99 13.821 -9.350 -2.139 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.164 -10.553 -2.024 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.608 -8.406 -1.922 1.00 0.00 O ATOM 0 H ASP A 99 9.844 -9.815 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 99 11.894 -10.510 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.325 -9.332 -3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.227 -7.974 -2.584 1.00 0.00 H new ATOM 1531 N PRO A 100 11.153 -8.565 0.333 1.00 0.00 N ATOM 1532 CA PRO A 100 10.351 -8.184 1.473 1.00 0.00 C ATOM 1533 C PRO A 100 9.849 -6.752 1.362 1.00 0.00 C ATOM 1534 O PRO A 100 10.547 -5.816 0.976 1.00 0.00 O ATOM 1535 CB PRO A 100 11.239 -8.387 2.683 1.00 0.00 C ATOM 1536 CG PRO A 100 12.632 -8.130 2.142 1.00 0.00 C ATOM 1537 CD PRO A 100 12.549 -8.675 0.717 1.00 0.00 C ATOM 0 HA PRO A 100 9.447 -8.789 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.986 -7.696 3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 100 11.144 -9.395 3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.881 -7.069 2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.394 -8.644 2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.187 -8.104 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.886 -9.711 0.674 1.00 0.00 H new ATOM 1545 N VAL A 101 8.600 -6.601 1.762 1.00 0.00 N ATOM 1546 CA VAL A 101 7.861 -5.359 1.722 1.00 0.00 C ATOM 1547 C VAL A 101 8.203 -4.617 3.006 1.00 0.00 C ATOM 1548 O VAL A 101 7.876 -5.083 4.100 1.00 0.00 O ATOM 1549 CB VAL A 101 6.362 -5.658 1.532 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.581 -4.363 1.295 1.00 0.00 C ATOM 1551 CG2 VAL A 101 6.150 -6.569 0.314 1.00 0.00 C ATOM 0 H VAL A 101 8.053 -7.375 2.139 1.00 0.00 H new ATOM 0 HA VAL A 101 8.128 -4.722 0.879 1.00 0.00 H new ATOM 0 HB VAL A 101 6.005 -6.149 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.524 -4.595 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.703 -3.702 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.959 -3.869 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.086 -6.772 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.530 -6.075 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.683 -7.508 0.464 1.00 0.00 H new ATOM 1561 N HIS A 102 8.936 -3.511 2.889 1.00 0.00 N ATOM 1562 CA HIS A 102 9.430 -2.732 3.999 1.00 0.00 C ATOM 1563 C HIS A 102 8.318 -1.976 4.725 1.00 0.00 C ATOM 1564 O HIS A 102 8.021 -0.817 4.424 1.00 0.00 O ATOM 1565 CB HIS A 102 10.488 -1.808 3.407 1.00 0.00 C ATOM 1566 CG HIS A 102 11.645 -1.490 4.285 1.00 0.00 C ATOM 1567 ND1 HIS A 102 11.826 -1.691 5.634 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.814 -1.071 3.748 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.102 -1.358 5.896 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.747 -0.975 4.778 1.00 0.00 N ATOM 0 H HIS A 102 9.206 -3.128 1.983 1.00 0.00 H new ATOM 0 HA HIS A 102 9.857 -3.369 4.774 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.867 -2.263 2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.006 -0.873 3.123 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.992 -0.850 2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.552 -1.393 6.877 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.719 -0.676 4.701 1.00 0.00 H new ATOM 1578 N TYR A 103 7.677 -2.660 5.667 1.00 0.00 N ATOM 1579 CA TYR A 103 6.567 -2.154 6.457 1.00 0.00 C ATOM 1580 C TYR A 103 6.992 -0.974 7.314 1.00 0.00 C ATOM 1581 O TYR A 103 6.240 -0.016 7.432 1.00 0.00 O ATOM 1582 CB TYR A 103 6.010 -3.297 7.317 1.00 0.00 C ATOM 1583 CG TYR A 103 5.122 -4.287 6.584 1.00 0.00 C ATOM 1584 CD1 TYR A 103 5.043 -4.319 5.175 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.323 -5.166 7.336 1.00 0.00 C ATOM 1586 CE1 TYR A 103 4.154 -5.191 4.540 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.447 -6.060 6.709 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.359 -6.065 5.306 1.00 0.00 C ATOM 1589 OH TYR A 103 2.563 -6.956 4.676 1.00 0.00 O ATOM 0 H TYR A 103 7.928 -3.619 5.908 1.00 0.00 H new ATOM 0 HA TYR A 103 5.785 -1.791 5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.847 -3.840 7.756 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.442 -2.866 8.141 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.671 -3.668 4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.386 -5.151 8.414 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.077 -5.194 3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.846 -6.738 7.296 1.00 0.00 H new ATOM 0 HH TYR A 103 3.057 -7.790 4.530 1.00 0.00 H new ATOM 1599 N GLU A 104 8.196 -1.003 7.879 1.00 0.00 N ATOM 1600 CA GLU A 104 8.712 0.064 8.722 1.00 0.00 C ATOM 1601 C GLU A 104 8.725 1.384 7.953 1.00 0.00 C ATOM 1602 O GLU A 104 8.088 2.357 8.344 1.00 0.00 O ATOM 1603 CB GLU A 104 10.124 -0.335 9.182 1.00 0.00 C ATOM 1604 CG GLU A 104 10.711 0.613 10.233 1.00 0.00 C ATOM 1605 CD GLU A 104 10.614 -0.029 11.618 1.00 0.00 C ATOM 1606 OE1 GLU A 104 9.508 -0.027 12.215 1.00 0.00 O ATOM 1607 OE2 GLU A 104 11.612 -0.654 12.044 1.00 0.00 O ATOM 0 H GLU A 104 8.847 -1.780 7.761 1.00 0.00 H new ATOM 0 HA GLU A 104 8.075 0.208 9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.093 -1.345 9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.786 -0.361 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.752 0.834 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.173 1.561 10.223 1.00 0.00 H new ATOM 1614 N LEU A 105 9.433 1.398 6.828 1.00 0.00 N ATOM 1615 CA LEU A 105 9.676 2.609 6.065 1.00 0.00 C ATOM 1616 C LEU A 105 8.351 3.194 5.571 1.00 0.00 C ATOM 1617 O LEU A 105 8.127 4.403 5.634 1.00 0.00 O ATOM 1618 CB LEU A 105 10.630 2.231 4.923 1.00 0.00 C ATOM 1619 CG LEU A 105 11.644 3.336 4.597 1.00 0.00 C ATOM 1620 CD1 LEU A 105 12.822 2.676 3.880 1.00 0.00 C ATOM 1621 CD2 LEU A 105 11.015 4.440 3.743 1.00 0.00 C ATOM 0 H LEU A 105 9.855 0.563 6.421 1.00 0.00 H new ATOM 0 HA LEU A 105 10.137 3.390 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.167 1.321 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.047 2.006 4.030 1.00 0.00 H new ATOM 0 HG LEU A 105 11.983 3.820 5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.566 3.432 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.270 1.926 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.470 2.199 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.761 5.206 3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.655 4.015 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.180 4.887 4.283 1.00 0.00 H new ATOM 1633 N LEU A 106 7.448 2.325 5.108 1.00 0.00 N ATOM 1634 CA LEU A 106 6.155 2.749 4.597 1.00 0.00 C ATOM 1635 C LEU A 106 5.179 3.141 5.721 1.00 0.00 C ATOM 1636 O LEU A 106 4.338 4.004 5.467 1.00 0.00 O ATOM 1637 CB LEU A 106 5.662 1.765 3.526 1.00 0.00 C ATOM 1638 CG LEU A 106 4.570 0.780 3.955 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.193 1.325 3.600 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.769 -0.562 3.269 1.00 0.00 C ATOM 0 H LEU A 106 7.597 1.316 5.080 1.00 0.00 H new ATOM 0 HA LEU A 106 6.246 3.694 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.289 2.341 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.518 1.192 3.169 1.00 0.00 H new ATOM 0 HG LEU A 106 4.638 0.648 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.429 0.613 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.035 2.275 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.129 1.478 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.985 -1.251 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.722 -0.429 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.742 -0.970 3.542 1.00 0.00 H new ATOM 1652 N LYS A 107 5.297 2.620 6.958 1.00 0.00 N ATOM 1653 CA LYS A 107 4.449 3.072 8.057 1.00 0.00 C ATOM 1654 C LYS A 107 4.782 4.507 8.447 1.00 0.00 C ATOM 1655 O LYS A 107 3.856 5.252 8.750 1.00 0.00 O ATOM 1656 CB LYS A 107 4.472 2.101 9.254 1.00 0.00 C ATOM 1657 CG LYS A 107 5.419 2.346 10.434 1.00 0.00 C ATOM 1658 CD LYS A 107 5.178 1.315 11.546 1.00 0.00 C ATOM 1659 CE LYS A 107 5.648 -0.094 11.169 1.00 0.00 C ATOM 1660 NZ LYS A 107 6.861 -0.526 11.892 1.00 0.00 N ATOM 0 H LYS A 107 5.967 1.894 7.211 1.00 0.00 H new ATOM 0 HA LYS A 107 3.418 3.069 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.460 2.062 9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.697 1.110 8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.453 2.288 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.268 3.352 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.697 1.635 12.449 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.114 1.286 11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.844 -0.802 11.370 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.843 -0.128 10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.113 -1.492 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.646 0.118 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.680 -0.509 12.916 1.00 0.00 H new ATOM 1674 N GLN A 108 6.057 4.913 8.384 1.00 0.00 N ATOM 1675 CA GLN A 108 6.430 6.295 8.668 1.00 0.00 C ATOM 1676 C GLN A 108 5.652 7.233 7.749 1.00 0.00 C ATOM 1677 O GLN A 108 4.927 8.100 8.230 1.00 0.00 O ATOM 1678 CB GLN A 108 7.929 6.550 8.466 1.00 0.00 C ATOM 1679 CG GLN A 108 8.904 5.791 9.367 1.00 0.00 C ATOM 1680 CD GLN A 108 10.329 6.176 8.970 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.684 7.353 8.941 1.00 0.00 O ATOM 1682 NE2 GLN A 108 11.151 5.215 8.590 1.00 0.00 N ATOM 0 H GLN A 108 6.839 4.305 8.140 1.00 0.00 H new ATOM 0 HA GLN A 108 6.191 6.482 9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.174 6.312 7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.109 7.617 8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.723 6.036 10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.759 4.716 9.262 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.846 4.242 8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.091 5.446 8.268 1.00 0.00 H new ATOM 1691 N MET A 109 5.816 7.066 6.432 1.00 0.00 N ATOM 1692 CA MET A 109 5.237 7.989 5.468 1.00 0.00 C ATOM 1693 C MET A 109 3.721 8.004 5.548 1.00 0.00 C ATOM 1694 O MET A 109 3.144 9.083 5.493 1.00 0.00 O ATOM 1695 CB MET A 109 5.741 7.716 4.043 1.00 0.00 C ATOM 1696 CG MET A 109 5.397 6.325 3.510 1.00 0.00 C ATOM 1697 SD MET A 109 6.218 5.877 1.961 1.00 0.00 S ATOM 1698 CE MET A 109 7.910 5.584 2.554 1.00 0.00 C ATOM 0 H MET A 109 6.345 6.299 6.016 1.00 0.00 H new ATOM 0 HA MET A 109 5.577 8.990 5.733 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.320 8.464 3.372 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.823 7.843 4.022 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.657 5.587 4.269 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.319 6.265 3.363 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.620 6.063 1.880 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.022 6.001 3.555 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.105 4.512 2.584 1.00 0.00 H new ATOM 1708 N ILE A 110 3.071 6.845 5.664 1.00 0.00 N ATOM 1709 CA ILE A 110 1.618 6.791 5.629 1.00 0.00 C ATOM 1710 C ILE A 110 1.055 7.449 6.905 1.00 0.00 C ATOM 1711 O ILE A 110 0.170 8.295 6.799 1.00 0.00 O ATOM 1712 CB ILE A 110 1.176 5.341 5.306 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.218 5.205 4.677 1.00 0.00 C ATOM 1714 CG2 ILE A 110 1.302 4.358 6.473 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.310 5.862 5.499 1.00 0.00 C ATOM 0 H ILE A 110 3.528 5.941 5.782 1.00 0.00 H new ATOM 0 HA ILE A 110 1.181 7.382 4.824 1.00 0.00 H new ATOM 0 HB ILE A 110 1.907 5.064 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.205 5.648 3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.452 4.148 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.970 3.370 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.342 4.306 6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.683 4.698 7.303 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.270 5.730 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.348 5.403 6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.098 6.926 5.602 1.00 0.00 H new ATOM 1727 N GLU A 111 1.580 7.140 8.099 1.00 0.00 N ATOM 1728 CA GLU A 111 1.080 7.761 9.327 1.00 0.00 C ATOM 1729 C GLU A 111 1.379 9.262 9.336 1.00 0.00 C ATOM 1730 O GLU A 111 0.522 10.048 9.736 1.00 0.00 O ATOM 1731 CB GLU A 111 1.642 7.094 10.588 1.00 0.00 C ATOM 1732 CG GLU A 111 1.038 5.693 10.721 1.00 0.00 C ATOM 1733 CD GLU A 111 0.705 5.305 12.163 1.00 0.00 C ATOM 1734 OE1 GLU A 111 1.610 4.883 12.915 1.00 0.00 O ATOM 1735 OE2 GLU A 111 -0.489 5.407 12.539 1.00 0.00 O ATOM 0 H GLU A 111 2.340 6.473 8.237 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.000 7.616 9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.729 7.032 10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.405 7.692 11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.130 5.639 10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.737 4.964 10.309 1.00 0.00 H new ATOM 1742 N PHE A 112 2.567 9.676 8.882 1.00 0.00 N ATOM 1743 CA PHE A 112 2.922 11.086 8.815 1.00 0.00 C ATOM 1744 C PHE A 112 1.984 11.834 7.872 1.00 0.00 C ATOM 1745 O PHE A 112 1.447 12.868 8.259 1.00 0.00 O ATOM 1746 CB PHE A 112 4.386 11.286 8.401 1.00 0.00 C ATOM 1747 CG PHE A 112 4.730 12.758 8.271 1.00 0.00 C ATOM 1748 CD1 PHE A 112 5.029 13.518 9.417 1.00 0.00 C ATOM 1749 CD2 PHE A 112 4.611 13.402 7.023 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.196 14.910 9.315 1.00 0.00 C ATOM 1751 CE2 PHE A 112 4.759 14.794 6.930 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.052 15.553 8.075 1.00 0.00 C ATOM 0 H PHE A 112 3.299 9.045 8.555 1.00 0.00 H new ATOM 0 HA PHE A 112 2.808 11.500 9.817 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.041 10.822 9.139 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.569 10.783 7.451 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.130 13.031 10.376 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.405 12.822 6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.436 15.488 10.195 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.647 15.284 5.974 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.166 16.625 8.002 1.00 0.00 H new ATOM 1762 N ASN A 113 1.736 11.297 6.674 1.00 0.00 N ATOM 1763 CA ASN A 113 0.855 11.907 5.676 1.00 0.00 C ATOM 1764 C ASN A 113 -0.570 12.064 6.226 1.00 0.00 C ATOM 1765 O ASN A 113 -1.361 12.772 5.621 1.00 0.00 O ATOM 1766 CB ASN A 113 0.860 11.065 4.379 1.00 0.00 C ATOM 1767 CG ASN A 113 0.507 11.791 3.078 1.00 0.00 C ATOM 1768 OD1 ASN A 113 0.999 11.403 2.021 1.00 0.00 O ATOM 1769 ND2 ASN A 113 -0.352 12.790 3.087 1.00 0.00 N ATOM 0 H ASN A 113 2.147 10.415 6.367 1.00 0.00 H new ATOM 0 HA ASN A 113 1.230 12.904 5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.851 10.626 4.264 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.159 10.240 4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.613 13.246 2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.757 13.107 3.968 1.00 0.00 H new ATOM 1776 N ILE A 114 -0.928 11.432 7.347 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.203 11.630 8.025 1.00 0.00 C ATOM 1778 C ILE A 114 -2.054 12.657 9.148 1.00 0.00 C ATOM 1779 O ILE A 114 -2.867 13.571 9.216 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.718 10.283 8.553 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -3.120 9.352 7.385 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.918 10.502 9.490 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.183 7.874 7.773 1.00 0.00 C ATOM 0 H ILE A 114 -0.324 10.756 7.815 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.936 12.023 7.320 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.913 9.806 9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -4.094 9.661 7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.406 9.475 6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.273 9.539 9.857 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.613 11.122 10.333 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.719 11.000 8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.471 7.282 6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.204 7.548 8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.919 7.737 8.566 1.00 0.00 H new ATOM 1795 N GLN A 115 -1.062 12.538 10.042 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.893 13.519 11.122 1.00 0.00 C ATOM 1797 C GLN A 115 -0.366 14.869 10.615 1.00 0.00 C ATOM 1798 O GLN A 115 -0.113 15.756 11.423 1.00 0.00 O ATOM 1799 CB GLN A 115 -0.089 12.951 12.307 1.00 0.00 C ATOM 1800 CG GLN A 115 1.382 12.626 12.051 1.00 0.00 C ATOM 1801 CD GLN A 115 2.158 12.441 13.361 1.00 0.00 C ATOM 1802 OE1 GLN A 115 2.439 13.399 14.081 1.00 0.00 O ATOM 1803 NE2 GLN A 115 2.533 11.223 13.725 1.00 0.00 N ATOM 0 H GLN A 115 -0.375 11.784 10.040 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.888 13.728 11.515 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.141 13.668 13.127 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.583 12.041 12.647 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.455 11.718 11.453 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.836 13.428 11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.305 10.422 13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.049 11.087 14.594 1.00 0.00 H new ATOM 1812 N ASP A 116 -0.192 15.036 9.304 1.00 0.00 N ATOM 1813 CA ASP A 116 -0.015 16.328 8.623 1.00 0.00 C ATOM 1814 C ASP A 116 -1.348 16.968 8.224 1.00 0.00 C ATOM 1815 O ASP A 116 -1.424 18.157 7.915 1.00 0.00 O ATOM 1816 CB ASP A 116 0.848 16.090 7.377 1.00 0.00 C ATOM 1817 CG ASP A 116 1.159 17.354 6.566 1.00 0.00 C ATOM 1818 OD1 ASP A 116 1.499 18.410 7.150 1.00 0.00 O ATOM 1819 OD2 ASP A 116 1.137 17.263 5.311 1.00 0.00 O ATOM 0 H ASP A 116 -0.169 14.247 8.658 1.00 0.00 H new ATOM 0 HA ASP A 116 0.468 17.022 9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.788 15.631 7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.340 15.375 6.730 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.420 16.183 8.230 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.724 16.524 7.670 1.00 0.00 C ATOM 1826 C LYS A 117 -4.752 16.650 8.779 1.00 0.00 C ATOM 1827 O LYS A 117 -5.939 16.350 8.594 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.129 15.483 6.622 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.063 15.253 5.547 1.00 0.00 C ATOM 1830 CD LYS A 117 -2.772 16.444 4.636 1.00 0.00 C ATOM 1831 CE LYS A 117 -1.596 16.036 3.745 1.00 0.00 C ATOM 1832 NZ LYS A 117 -1.265 17.052 2.736 1.00 0.00 N ATOM 0 H LYS A 117 -2.404 15.251 8.643 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.668 17.490 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.339 14.538 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.054 15.802 6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.135 14.960 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.374 14.412 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.646 16.694 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.525 17.329 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.721 15.851 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -1.834 15.098 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.463 16.723 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.088 17.211 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.010 17.942 3.210 1.00 0.00 H new ATOM 1846 N GLU A 118 -4.304 17.102 9.942 1.00 0.00 N ATOM 1847 CA GLU A 118 -5.190 17.719 10.911 1.00 0.00 C ATOM 1848 C GLU A 118 -5.920 18.881 10.257 1.00 0.00 C ATOM 1849 O GLU A 118 -7.078 19.147 10.640 1.00 0.00 O ATOM 1850 CB GLU A 118 -4.384 18.175 12.131 1.00 0.00 C ATOM 1851 CG GLU A 118 -4.705 17.309 13.351 1.00 0.00 C ATOM 1852 CD GLU A 118 -6.141 17.467 13.870 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -6.490 18.514 14.458 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -6.914 16.478 13.772 1.00 0.00 O ATOM 0 H GLU A 118 -3.328 17.051 10.235 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.933 16.998 11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.318 18.118 11.910 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.609 19.219 12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.535 16.263 13.096 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.010 17.558 14.153 1.00 0.00 H new TER 1861 GLU A 118