USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 693 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00807 K(o=-0.0081,f=-0.75) USER MOD Single : A 8 SER OG : rot -69:sc= 0.326 USER MOD Single : A 10 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.66) USER MOD Single : A 13 ASN : amide:sc= -6.93! C(o=-6.9!,f=-8.7!) USER MOD Single : A 14 HIS : no HD1:sc= -0.265 X(o=-0.27,f=-0.68) USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.224! USER MOD Single : A 20 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.83) USER MOD Single : A 25 THR OG1 : rot 133:sc= 1.13 USER MOD Single : A 26 ASN : amide:sc= -3.06! C(o=-3.1!,f=-14!) USER MOD Single : A 29 MET CE :methyl 177:sc= 0 (180deg=-0.00992) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.4) USER MOD Single : A 36 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.92) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-4.3!) USER MOD Single : A 59 ASN : amide:sc= -2.47 K(o=-2.5,f=-14!) USER MOD Single : A 62 GLN : amide:sc= -9.21! C(o=-9.2!,f=-14!) USER MOD Single : A 71 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.41) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00753 K(o=-0.0075,f=-1.4!) USER MOD Single : A 78 ASN : amide:sc= -2.14! C(o=-2.1!,f=-5.2!) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 81 MET CE :methyl 149:sc= -2.74 (180deg=-5.68!) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.000694) USER MOD Single : A 84 SER OG : rot -26:sc= 1.79 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.957 7.526 9.620 1.00 0.00 N ATOM 2 CA MET A 1 -21.899 7.648 10.670 1.00 0.00 C ATOM 3 C MET A 1 -20.687 6.848 10.158 1.00 0.00 C ATOM 4 O MET A 1 -19.708 7.425 9.763 1.00 0.00 O ATOM 5 CB MET A 1 -22.377 7.091 12.009 1.00 0.00 C ATOM 6 CG MET A 1 -21.657 7.780 13.185 1.00 0.00 C ATOM 7 SD MET A 1 -22.488 7.267 14.706 1.00 0.00 S ATOM 8 CE MET A 1 -22.966 8.893 15.333 1.00 0.00 C ATOM 0 H1 MET A 1 -23.804 8.052 9.917 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.603 7.917 8.724 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.201 6.524 9.488 1.00 0.00 H new ATOM 0 HA MET A 1 -21.646 8.694 10.841 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.453 7.235 12.103 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.195 6.017 12.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.605 7.497 13.209 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.693 8.864 13.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.497 8.777 16.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.074 9.499 15.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.616 9.385 14.610 1.00 0.00 H new ATOM 20 N ALA A 2 -20.777 5.544 10.174 1.00 0.00 N ATOM 21 CA ALA A 2 -19.646 4.720 9.691 1.00 0.00 C ATOM 22 C ALA A 2 -20.180 3.543 8.854 1.00 0.00 C ATOM 23 O ALA A 2 -20.492 2.529 9.471 1.00 0.00 O ATOM 24 CB ALA A 2 -18.898 4.182 10.916 1.00 0.00 C ATOM 0 H ALA A 2 -21.588 5.020 10.502 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.980 5.318 9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.058 3.570 10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.529 5.016 11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.575 3.577 11.519 1.00 0.00 H new ATOM 30 N PRO A 3 -20.267 3.697 7.565 1.00 0.00 N ATOM 31 CA PRO A 3 -20.771 2.606 6.691 1.00 0.00 C ATOM 32 C PRO A 3 -19.562 1.744 6.300 1.00 0.00 C ATOM 33 O PRO A 3 -18.818 2.117 5.425 1.00 0.00 O ATOM 34 CB PRO A 3 -21.355 3.398 5.533 1.00 0.00 C ATOM 35 CG PRO A 3 -20.565 4.744 5.463 1.00 0.00 C ATOM 36 CD PRO A 3 -19.890 4.930 6.824 1.00 0.00 C ATOM 0 HA PRO A 3 -21.505 1.920 7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -21.259 2.845 4.599 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -22.418 3.581 5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -19.824 4.717 4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -21.236 5.576 5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -18.809 5.026 6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -20.245 5.828 7.330 1.00 0.00 H new ATOM 44 N ALA A 4 -19.352 0.616 6.913 1.00 0.00 N ATOM 45 CA ALA A 4 -18.199 -0.276 6.584 1.00 0.00 C ATOM 46 C ALA A 4 -18.620 -1.429 5.694 1.00 0.00 C ATOM 47 O ALA A 4 -17.900 -1.796 4.781 1.00 0.00 O ATOM 48 CB ALA A 4 -17.627 -0.874 7.879 1.00 0.00 C ATOM 0 H ALA A 4 -19.952 0.260 7.657 1.00 0.00 H new ATOM 0 HA ALA A 4 -17.457 0.329 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -16.786 -1.525 7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -17.289 -0.070 8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -18.400 -1.452 8.385 1.00 0.00 H new ATOM 54 N GLN A 5 -19.757 -2.043 5.892 1.00 0.00 N ATOM 55 CA GLN A 5 -20.175 -3.175 5.014 1.00 0.00 C ATOM 56 C GLN A 5 -21.627 -3.097 4.594 1.00 0.00 C ATOM 57 O GLN A 5 -22.207 -4.147 4.335 1.00 0.00 O ATOM 58 CB GLN A 5 -19.847 -4.488 5.759 1.00 0.00 C ATOM 59 CG GLN A 5 -19.719 -4.156 7.240 1.00 0.00 C ATOM 60 CD GLN A 5 -19.552 -5.464 8.033 1.00 0.00 C ATOM 61 OE1 GLN A 5 -20.201 -6.445 7.751 1.00 0.00 O ATOM 62 NE2 GLN A 5 -18.695 -5.519 9.030 1.00 0.00 N ATOM 0 H GLN A 5 -20.419 -1.806 6.631 1.00 0.00 H new ATOM 0 HA GLN A 5 -19.623 -3.128 4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -20.633 -5.226 5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.921 -4.921 5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.863 -3.502 7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.603 -3.618 7.583 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.144 -4.696 9.275 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.582 -6.384 9.558 1.00 0.00 H new ATOM 71 N PRO A 6 -22.242 -1.964 4.504 1.00 0.00 N ATOM 72 CA PRO A 6 -23.663 -1.858 4.083 1.00 0.00 C ATOM 73 C PRO A 6 -23.658 -2.049 2.549 1.00 0.00 C ATOM 74 O PRO A 6 -23.575 -1.050 1.856 1.00 0.00 O ATOM 75 CB PRO A 6 -24.176 -0.480 4.442 1.00 0.00 C ATOM 76 CG PRO A 6 -22.889 0.378 4.390 1.00 0.00 C ATOM 77 CD PRO A 6 -21.762 -0.608 4.755 1.00 0.00 C ATOM 0 HA PRO A 6 -24.302 -2.595 4.569 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -24.927 -0.129 3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -24.636 -0.463 5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -22.737 0.808 3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -22.935 1.208 5.095 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -20.871 -0.404 4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -21.480 -0.492 5.802 1.00 0.00 H new ATOM 85 N LEU A 7 -23.738 -3.244 2.053 1.00 0.00 N ATOM 86 CA LEU A 7 -23.731 -3.415 0.562 1.00 0.00 C ATOM 87 C LEU A 7 -22.400 -2.874 0.046 1.00 0.00 C ATOM 88 O LEU A 7 -21.410 -3.019 0.750 1.00 0.00 O ATOM 89 CB LEU A 7 -24.935 -2.647 -0.027 1.00 0.00 C ATOM 90 CG LEU A 7 -26.169 -2.836 0.837 1.00 0.00 C ATOM 91 CD1 LEU A 7 -27.272 -1.883 0.345 1.00 0.00 C ATOM 92 CD2 LEU A 7 -26.653 -4.281 0.744 1.00 0.00 C ATOM 0 H LEU A 7 -23.807 -4.105 2.596 1.00 0.00 H new ATOM 0 HA LEU A 7 -23.826 -4.460 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -24.695 -1.586 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -25.137 -2.998 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 7 -25.927 -2.614 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -28.164 -2.011 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -26.923 -0.853 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -27.512 -2.109 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -27.539 -4.409 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -26.900 -4.516 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -25.866 -4.951 1.090 1.00 0.00 H new ATOM 104 N SER A 8 -22.351 -2.276 -1.125 1.00 0.00 N ATOM 105 CA SER A 8 -21.102 -1.718 -1.707 1.00 0.00 C ATOM 106 C SER A 8 -20.177 -2.871 -2.110 1.00 0.00 C ATOM 107 O SER A 8 -20.221 -3.985 -1.643 1.00 0.00 O ATOM 108 CB SER A 8 -20.391 -0.791 -0.709 1.00 0.00 C ATOM 109 OG SER A 8 -19.242 -1.454 -0.184 1.00 0.00 O ATOM 0 H SER A 8 -23.170 -2.151 -1.721 1.00 0.00 H new ATOM 0 HA SER A 8 -21.358 -1.126 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.097 0.135 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.070 -0.520 0.100 1.00 0.00 H new ATOM 0 HG SER A 8 -19.526 -2.198 0.387 1.00 0.00 H new ATOM 115 N GLU A 9 -19.294 -2.577 -3.034 1.00 0.00 N ATOM 116 CA GLU A 9 -18.371 -3.647 -3.468 1.00 0.00 C ATOM 117 C GLU A 9 -17.083 -2.994 -3.963 1.00 0.00 C ATOM 118 O GLU A 9 -16.910 -2.867 -5.167 1.00 0.00 O ATOM 119 CB GLU A 9 -19.034 -4.470 -4.587 1.00 0.00 C ATOM 120 CG GLU A 9 -19.653 -3.560 -5.637 1.00 0.00 C ATOM 121 CD GLU A 9 -21.182 -3.519 -5.507 1.00 0.00 C ATOM 122 OE1 GLU A 9 -21.670 -3.668 -4.411 1.00 0.00 O ATOM 123 OE2 GLU A 9 -21.786 -3.334 -6.561 1.00 0.00 O ATOM 0 H GLU A 9 -19.181 -1.671 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.140 -4.320 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.293 -5.119 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -19.802 -5.116 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.250 -2.553 -5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -19.380 -3.911 -6.632 1.00 0.00 H new ATOM 130 N ASN A 10 -16.207 -2.592 -3.065 1.00 0.00 N ATOM 131 CA ASN A 10 -14.946 -1.968 -3.496 1.00 0.00 C ATOM 132 C ASN A 10 -13.726 -2.847 -3.256 1.00 0.00 C ATOM 133 O ASN A 10 -12.629 -2.311 -3.338 1.00 0.00 O ATOM 134 CB ASN A 10 -14.801 -0.641 -2.717 1.00 0.00 C ATOM 135 CG ASN A 10 -13.677 0.221 -3.269 1.00 0.00 C ATOM 136 OD1 ASN A 10 -13.580 0.504 -4.443 1.00 0.00 O ATOM 137 ND2 ASN A 10 -12.775 0.668 -2.423 1.00 0.00 N ATOM 0 H ASN A 10 -16.327 -2.677 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.989 -1.807 -4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.739 -0.088 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.610 -0.856 -1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.004 1.246 -2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -12.846 0.436 -1.432 1.00 0.00 H new ATOM 144 N PRO A 11 -13.850 -4.096 -2.983 1.00 0.00 N ATOM 145 CA PRO A 11 -12.691 -4.944 -2.762 1.00 0.00 C ATOM 146 C PRO A 11 -11.588 -4.780 -3.807 1.00 0.00 C ATOM 147 O PRO A 11 -10.453 -4.662 -3.351 1.00 0.00 O ATOM 148 CB PRO A 11 -13.125 -6.428 -2.793 1.00 0.00 C ATOM 149 CG PRO A 11 -14.559 -6.328 -2.273 1.00 0.00 C ATOM 150 CD PRO A 11 -15.016 -4.946 -2.825 1.00 0.00 C ATOM 0 HA PRO A 11 -12.288 -4.641 -1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.080 -6.849 -3.797 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.499 -7.053 -2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.184 -7.141 -2.644 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.600 -6.365 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.524 -5.071 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.730 -4.484 -2.143 1.00 0.00 H new ATOM 158 N PRO A 12 -11.904 -4.783 -5.076 1.00 0.00 N ATOM 159 CA PRO A 12 -10.800 -4.584 -6.056 1.00 0.00 C ATOM 160 C PRO A 12 -10.294 -3.152 -5.750 1.00 0.00 C ATOM 161 O PRO A 12 -10.702 -2.163 -6.312 1.00 0.00 O ATOM 162 CB PRO A 12 -11.537 -4.688 -7.378 1.00 0.00 C ATOM 163 CG PRO A 12 -13.012 -4.351 -7.103 1.00 0.00 C ATOM 164 CD PRO A 12 -13.224 -4.946 -5.681 1.00 0.00 C ATOM 0 HA PRO A 12 -9.950 -5.266 -6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.115 -3.999 -8.109 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.442 -5.691 -7.794 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.196 -3.277 -7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.677 -4.804 -7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.995 -4.410 -5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.528 -5.992 -5.719 1.00 0.00 H new ATOM 172 N ASN A 13 -9.418 -3.112 -4.804 1.00 0.00 N ATOM 173 CA ASN A 13 -8.883 -1.812 -4.316 1.00 0.00 C ATOM 174 C ASN A 13 -7.664 -1.305 -5.056 1.00 0.00 C ATOM 175 O ASN A 13 -6.803 -2.062 -5.450 1.00 0.00 O ATOM 176 CB ASN A 13 -8.624 -1.989 -2.795 1.00 0.00 C ATOM 177 CG ASN A 13 -8.803 -0.648 -2.099 1.00 0.00 C ATOM 178 OD1 ASN A 13 -8.046 0.254 -2.347 1.00 0.00 O ATOM 179 ND2 ASN A 13 -9.761 -0.453 -1.238 1.00 0.00 N ATOM 0 H ASN A 13 -9.038 -3.934 -4.335 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.617 -1.030 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.314 -2.723 -2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.616 -2.368 -2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.862 0.455 -0.784 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.410 -1.208 -1.018 1.00 0.00 H new ATOM 186 N HIS A 14 -7.572 -0.018 -5.250 1.00 0.00 N ATOM 187 CA HIS A 14 -6.424 0.634 -5.950 1.00 0.00 C ATOM 188 C HIS A 14 -5.711 1.637 -4.995 1.00 0.00 C ATOM 189 O HIS A 14 -5.082 2.606 -5.391 1.00 0.00 O ATOM 190 CB HIS A 14 -7.000 1.483 -7.092 1.00 0.00 C ATOM 191 CG HIS A 14 -8.380 2.005 -6.787 1.00 0.00 C ATOM 192 ND1 HIS A 14 -9.561 1.336 -7.003 1.00 0.00 N ATOM 193 CD2 HIS A 14 -8.744 3.226 -6.245 1.00 0.00 C ATOM 194 CE1 HIS A 14 -10.545 2.152 -6.597 1.00 0.00 C ATOM 195 NE2 HIS A 14 -10.117 3.314 -6.130 1.00 0.00 N ATOM 0 H HIS A 14 -8.283 0.642 -4.935 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.731 -0.135 -6.291 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.333 2.323 -7.288 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.035 0.885 -8.003 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.051 4.001 -5.953 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.590 1.885 -6.647 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.671 4.091 -5.770 1.00 0.00 H new ATOM 204 N ILE A 15 -5.796 1.427 -3.691 1.00 0.00 N ATOM 205 CA ILE A 15 -5.210 2.320 -2.662 1.00 0.00 C ATOM 206 C ILE A 15 -4.752 1.341 -1.553 1.00 0.00 C ATOM 207 O ILE A 15 -5.588 0.654 -1.049 1.00 0.00 O ATOM 208 CB ILE A 15 -6.143 3.384 -2.080 1.00 0.00 C ATOM 209 CG1 ILE A 15 -5.581 4.768 -2.478 1.00 0.00 C ATOM 210 CG2 ILE A 15 -6.113 3.350 -0.554 1.00 0.00 C ATOM 211 CD1 ILE A 15 -4.335 5.112 -1.634 1.00 0.00 C ATOM 0 H ILE A 15 -6.280 0.621 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.419 2.921 -3.111 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.153 3.203 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.322 4.770 -3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.346 5.532 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.783 4.114 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.436 2.369 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.098 3.543 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.954 6.090 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.605 5.131 -0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.565 4.358 -1.798 1.00 0.00 H new ATOM 223 N LEU A 16 -3.485 1.361 -1.285 1.00 0.00 N ATOM 224 CA LEU A 16 -2.885 0.471 -0.227 1.00 0.00 C ATOM 225 C LEU A 16 -2.146 1.354 0.819 1.00 0.00 C ATOM 226 O LEU A 16 -1.141 1.982 0.569 1.00 0.00 O ATOM 227 CB LEU A 16 -1.918 -0.463 -0.923 1.00 0.00 C ATOM 228 CG LEU A 16 -2.726 -1.575 -1.628 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.164 -1.760 -3.035 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.606 -2.897 -0.877 1.00 0.00 C ATOM 0 H LEU A 16 -2.813 1.965 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.648 -0.106 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.318 0.086 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.227 -0.898 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.776 -1.285 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.722 -2.542 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.254 -0.825 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.114 -2.045 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.184 -3.663 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.559 -3.198 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.989 -2.776 0.136 1.00 0.00 H new ATOM 242 N PHE A 17 -2.785 1.358 1.995 1.00 0.00 N ATOM 243 CA PHE A 17 -2.442 2.152 3.166 1.00 0.00 C ATOM 244 C PHE A 17 -2.176 1.140 4.303 1.00 0.00 C ATOM 245 O PHE A 17 -2.971 0.276 4.450 1.00 0.00 O ATOM 246 CB PHE A 17 -3.529 3.112 3.612 1.00 0.00 C ATOM 247 CG PHE A 17 -3.252 3.347 5.090 1.00 0.00 C ATOM 248 CD1 PHE A 17 -2.058 3.938 5.486 1.00 0.00 C ATOM 249 CD2 PHE A 17 -4.192 2.970 6.046 1.00 0.00 C ATOM 250 CE1 PHE A 17 -1.831 4.142 6.848 1.00 0.00 C ATOM 251 CE2 PHE A 17 -3.965 3.169 7.404 1.00 0.00 C ATOM 252 CZ PHE A 17 -2.763 3.768 7.823 1.00 0.00 C ATOM 0 H PHE A 17 -3.603 0.770 2.157 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.584 2.777 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.490 4.044 3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.521 2.687 3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.321 4.234 4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.117 2.513 5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.906 4.604 7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.705 2.866 8.130 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.564 3.935 8.871 1.00 0.00 H new ATOM 262 N LEU A 18 -1.058 1.321 4.895 1.00 0.00 N ATOM 263 CA LEU A 18 -0.679 0.465 5.987 1.00 0.00 C ATOM 264 C LEU A 18 0.760 0.808 6.266 1.00 0.00 C ATOM 265 O LEU A 18 1.304 1.729 5.700 1.00 0.00 O ATOM 266 CB LEU A 18 -1.085 -0.981 6.015 1.00 0.00 C ATOM 267 CG LEU A 18 -1.408 -1.486 7.445 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.844 -1.016 7.775 1.00 0.00 C ATOM 269 CD2 LEU A 18 -1.455 -3.001 7.495 1.00 0.00 C ATOM 0 H LEU A 18 -0.382 2.046 4.655 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.326 0.679 6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.959 -1.121 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.283 -1.587 5.593 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.647 -1.112 8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.115 -1.350 8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.890 0.072 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.541 -1.438 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.684 -3.325 8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.227 -3.364 6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.488 -3.405 7.194 1.00 0.00 H new ATOM 281 N THR A 19 1.271 0.155 7.183 1.00 0.00 N ATOM 282 CA THR A 19 2.595 0.434 7.658 1.00 0.00 C ATOM 283 C THR A 19 3.220 -0.896 8.008 1.00 0.00 C ATOM 284 O THR A 19 2.702 -1.992 7.844 1.00 0.00 O ATOM 285 CB THR A 19 2.409 1.195 9.002 1.00 0.00 C ATOM 286 OG1 THR A 19 3.467 0.955 9.895 1.00 0.00 O ATOM 287 CG2 THR A 19 1.124 0.721 9.720 1.00 0.00 C ATOM 0 H THR A 19 0.804 -0.615 7.663 1.00 0.00 H new ATOM 0 HA THR A 19 3.191 0.989 6.934 1.00 0.00 H new ATOM 0 HB THR A 19 2.363 2.253 8.744 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.191 1.593 9.724 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.010 1.264 10.658 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.260 0.911 9.083 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.195 -0.347 9.925 1.00 0.00 H new ATOM 295 N ASN A 20 4.359 -0.774 8.431 1.00 0.00 N ATOM 296 CA ASN A 20 5.250 -1.890 8.919 1.00 0.00 C ATOM 297 C ASN A 20 6.539 -1.945 8.083 1.00 0.00 C ATOM 298 O ASN A 20 7.119 -3.000 7.963 1.00 0.00 O ATOM 299 CB ASN A 20 4.563 -3.225 9.064 1.00 0.00 C ATOM 300 CG ASN A 20 5.430 -4.061 10.040 1.00 0.00 C ATOM 301 OD1 ASN A 20 5.205 -4.021 11.225 1.00 0.00 O ATOM 302 ND2 ASN A 20 6.400 -4.794 9.605 1.00 0.00 N ATOM 0 H ASN A 20 4.814 0.137 8.488 1.00 0.00 H new ATOM 0 HA ASN A 20 5.526 -1.649 9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.552 -3.101 9.452 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.475 -3.723 8.099 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.967 -5.332 10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.599 -4.836 8.606 1.00 0.00 H new ATOM 309 N LEU A 21 6.972 -0.858 7.540 1.00 0.00 N ATOM 310 CA LEU A 21 8.211 -0.823 6.703 1.00 0.00 C ATOM 311 C LEU A 21 9.408 -0.710 7.663 1.00 0.00 C ATOM 312 O LEU A 21 9.160 -0.287 8.784 1.00 0.00 O ATOM 313 CB LEU A 21 8.250 0.427 5.830 1.00 0.00 C ATOM 314 CG LEU A 21 7.147 0.476 4.790 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.028 -0.520 5.030 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.498 1.875 4.824 1.00 0.00 C ATOM 0 H LEU A 21 6.510 0.046 7.639 1.00 0.00 H new ATOM 0 HA LEU A 21 8.236 -1.715 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.176 1.308 6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.215 0.478 5.326 1.00 0.00 H new ATOM 0 HG LEU A 21 7.621 0.236 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.279 -0.422 4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.433 -1.532 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.566 -0.323 5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.702 1.925 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.082 2.059 5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.251 2.631 4.601 1.00 0.00 H new ATOM 328 N PRO A 22 10.581 -1.065 7.225 1.00 0.00 N ATOM 329 CA PRO A 22 11.802 -0.998 8.057 1.00 0.00 C ATOM 330 C PRO A 22 12.080 0.442 8.531 1.00 0.00 C ATOM 331 O PRO A 22 11.270 1.353 8.415 1.00 0.00 O ATOM 332 CB PRO A 22 12.984 -1.444 7.209 1.00 0.00 C ATOM 333 CG PRO A 22 12.390 -1.910 5.858 1.00 0.00 C ATOM 334 CD PRO A 22 10.896 -1.579 5.872 1.00 0.00 C ATOM 0 HA PRO A 22 11.661 -1.637 8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.690 -0.626 7.063 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.529 -2.253 7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.886 -1.407 5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.544 -2.980 5.721 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.658 -0.835 5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.302 -2.465 5.648 1.00 0.00 H new ATOM 342 N GLU A 23 13.242 0.720 9.089 1.00 0.00 N ATOM 343 CA GLU A 23 13.559 2.102 9.568 1.00 0.00 C ATOM 344 C GLU A 23 14.396 2.871 8.550 1.00 0.00 C ATOM 345 O GLU A 23 14.291 4.071 8.436 1.00 0.00 O ATOM 346 CB GLU A 23 14.324 1.983 10.895 1.00 0.00 C ATOM 347 CG GLU A 23 15.682 2.680 10.816 1.00 0.00 C ATOM 348 CD GLU A 23 16.463 2.315 12.084 1.00 0.00 C ATOM 349 OE1 GLU A 23 15.904 1.732 13.002 1.00 0.00 O ATOM 350 OE2 GLU A 23 17.644 2.662 12.061 1.00 0.00 O ATOM 0 H GLU A 23 13.987 0.039 9.232 1.00 0.00 H new ATOM 0 HA GLU A 23 12.630 2.655 9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.733 2.422 11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.466 0.931 11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.225 2.361 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.555 3.760 10.742 1.00 0.00 H new ATOM 357 N GLU A 24 15.239 2.216 7.801 1.00 0.00 N ATOM 358 CA GLU A 24 16.038 2.993 6.824 1.00 0.00 C ATOM 359 C GLU A 24 15.278 3.223 5.507 1.00 0.00 C ATOM 360 O GLU A 24 15.858 3.725 4.573 1.00 0.00 O ATOM 361 CB GLU A 24 17.351 2.238 6.519 1.00 0.00 C ATOM 362 CG GLU A 24 17.138 1.072 5.571 1.00 0.00 C ATOM 363 CD GLU A 24 18.417 0.219 5.602 1.00 0.00 C ATOM 364 OE1 GLU A 24 19.357 0.586 6.290 1.00 0.00 O ATOM 365 OE2 GLU A 24 18.431 -0.808 4.928 1.00 0.00 O ATOM 0 H GLU A 24 15.404 1.210 7.822 1.00 0.00 H new ATOM 0 HA GLU A 24 16.245 3.966 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.073 2.930 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.782 1.872 7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.274 0.481 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.939 1.429 4.561 1.00 0.00 H new ATOM 372 N THR A 25 14.035 2.850 5.490 1.00 0.00 N ATOM 373 CA THR A 25 13.236 3.044 4.235 1.00 0.00 C ATOM 374 C THR A 25 13.064 4.539 3.957 1.00 0.00 C ATOM 375 O THR A 25 13.256 5.381 4.806 1.00 0.00 O ATOM 376 CB THR A 25 11.848 2.451 4.394 1.00 0.00 C ATOM 377 OG1 THR A 25 11.391 2.596 5.737 1.00 0.00 O ATOM 378 CG2 THR A 25 11.953 0.945 4.102 1.00 0.00 C ATOM 0 H THR A 25 13.535 2.425 6.271 1.00 0.00 H new ATOM 0 HA THR A 25 13.767 2.553 3.419 1.00 0.00 H new ATOM 0 HB THR A 25 11.158 2.958 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.475 2.946 5.735 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.971 0.485 4.207 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.317 0.796 3.085 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.646 0.485 4.806 1.00 0.00 H new ATOM 386 N ASN A 26 12.695 4.901 2.753 1.00 0.00 N ATOM 387 CA ASN A 26 12.513 6.358 2.444 1.00 0.00 C ATOM 388 C ASN A 26 11.444 6.546 1.356 1.00 0.00 C ATOM 389 O ASN A 26 10.971 5.656 0.689 1.00 0.00 O ATOM 390 CB ASN A 26 13.849 7.021 2.098 1.00 0.00 C ATOM 391 CG ASN A 26 14.318 6.687 0.686 1.00 0.00 C ATOM 392 OD1 ASN A 26 13.738 7.146 -0.276 1.00 0.00 O ATOM 393 ND2 ASN A 26 15.348 5.903 0.559 1.00 0.00 N ATOM 0 H ASN A 26 12.513 4.262 1.979 1.00 0.00 H new ATOM 0 HA ASN A 26 12.148 6.867 3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.751 8.102 2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.606 6.701 2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.691 5.657 -0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.813 5.534 1.388 1.00 0.00 H new ATOM 400 N GLU A 27 11.016 7.776 1.136 1.00 0.00 N ATOM 401 CA GLU A 27 9.991 8.139 0.133 1.00 0.00 C ATOM 402 C GLU A 27 10.514 7.918 -1.298 1.00 0.00 C ATOM 403 O GLU A 27 9.731 7.516 -2.107 1.00 0.00 O ATOM 404 CB GLU A 27 9.636 9.639 0.185 1.00 0.00 C ATOM 405 CG GLU A 27 8.845 10.056 -1.074 1.00 0.00 C ATOM 406 CD GLU A 27 9.769 10.693 -2.105 1.00 0.00 C ATOM 407 OE1 GLU A 27 10.224 11.802 -1.885 1.00 0.00 O ATOM 408 OE2 GLU A 27 10.030 10.083 -3.122 1.00 0.00 O ATOM 0 H GLU A 27 11.370 8.580 1.654 1.00 0.00 H new ATOM 0 HA GLU A 27 9.130 7.513 0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.046 9.847 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.548 10.231 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.355 9.184 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.059 10.759 -0.799 1.00 0.00 H new ATOM 415 N LEU A 28 11.744 8.155 -1.638 1.00 0.00 N ATOM 416 CA LEU A 28 12.272 7.949 -3.043 1.00 0.00 C ATOM 417 C LEU A 28 12.411 6.424 -3.254 1.00 0.00 C ATOM 418 O LEU A 28 12.407 5.888 -4.338 1.00 0.00 O ATOM 419 CB LEU A 28 13.615 8.657 -3.183 1.00 0.00 C ATOM 420 CG LEU A 28 14.578 7.865 -4.078 1.00 0.00 C ATOM 421 CD1 LEU A 28 14.098 7.773 -5.516 1.00 0.00 C ATOM 422 CD2 LEU A 28 15.907 8.623 -4.073 1.00 0.00 C ATOM 0 H LEU A 28 12.447 8.498 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 28 11.602 8.365 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.461 9.651 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.061 8.792 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 28 14.658 6.849 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.817 7.202 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.129 7.275 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.003 8.776 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.628 8.097 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.754 9.629 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.287 8.684 -3.053 1.00 0.00 H new ATOM 434 N MET A 29 12.530 5.738 -2.133 1.00 0.00 N ATOM 435 CA MET A 29 12.668 4.239 -2.149 1.00 0.00 C ATOM 436 C MET A 29 11.313 3.668 -2.525 1.00 0.00 C ATOM 437 O MET A 29 11.076 2.952 -3.492 1.00 0.00 O ATOM 438 CB MET A 29 13.036 3.818 -0.716 1.00 0.00 C ATOM 439 CG MET A 29 13.669 2.441 -0.689 1.00 0.00 C ATOM 440 SD MET A 29 12.416 1.136 -0.557 1.00 0.00 S ATOM 441 CE MET A 29 13.518 -0.215 -1.009 1.00 0.00 C ATOM 0 H MET A 29 12.537 6.156 -1.203 1.00 0.00 H new ATOM 0 HA MET A 29 13.423 3.889 -2.853 1.00 0.00 H new ATOM 0 HB2 MET A 29 13.725 4.545 -0.287 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.141 3.821 -0.093 1.00 0.00 H new ATOM 0 HG2 MET A 29 14.257 2.292 -1.595 1.00 0.00 H new ATOM 0 HG3 MET A 29 14.358 2.372 0.153 1.00 0.00 H new ATOM 0 HE1 MET A 29 12.979 -1.160 -0.948 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.876 -0.067 -2.028 1.00 0.00 H new ATOM 0 HE3 MET A 29 14.367 -0.237 -0.325 1.00 0.00 H new ATOM 451 N LEU A 30 10.346 4.005 -1.703 1.00 0.00 N ATOM 452 CA LEU A 30 8.950 3.559 -1.882 1.00 0.00 C ATOM 453 C LEU A 30 8.415 4.219 -3.153 1.00 0.00 C ATOM 454 O LEU A 30 7.518 3.734 -3.819 1.00 0.00 O ATOM 455 CB LEU A 30 8.110 4.037 -0.692 1.00 0.00 C ATOM 456 CG LEU A 30 7.886 2.856 0.257 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.179 2.474 0.986 1.00 0.00 C ATOM 458 CD2 LEU A 30 6.785 3.213 1.252 1.00 0.00 C ATOM 0 H LEU A 30 10.488 4.597 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 30 8.900 2.472 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.619 4.848 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.154 4.430 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 30 7.578 1.988 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.986 1.633 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.939 2.193 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.533 3.324 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.622 2.375 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.083 4.091 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.863 3.428 0.712 1.00 0.00 H new ATOM 470 N SER A 31 8.984 5.333 -3.490 1.00 0.00 N ATOM 471 CA SER A 31 8.642 6.141 -4.685 1.00 0.00 C ATOM 472 C SER A 31 8.954 5.319 -5.935 1.00 0.00 C ATOM 473 O SER A 31 8.089 5.097 -6.735 1.00 0.00 O ATOM 474 CB SER A 31 9.516 7.410 -4.798 1.00 0.00 C ATOM 475 OG SER A 31 9.481 7.858 -6.159 1.00 0.00 O ATOM 0 H SER A 31 9.734 5.747 -2.937 1.00 0.00 H new ATOM 0 HA SER A 31 7.591 6.416 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.144 8.188 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.541 7.194 -4.495 1.00 0.00 H new ATOM 0 HG SER A 31 10.029 8.665 -6.252 1.00 0.00 H new ATOM 481 N MET A 32 10.191 4.909 -6.031 1.00 0.00 N ATOM 482 CA MET A 32 10.586 4.085 -7.221 1.00 0.00 C ATOM 483 C MET A 32 10.038 2.671 -7.149 1.00 0.00 C ATOM 484 O MET A 32 9.746 1.978 -8.120 1.00 0.00 O ATOM 485 CB MET A 32 12.122 4.027 -7.320 1.00 0.00 C ATOM 486 CG MET A 32 12.743 3.233 -6.180 1.00 0.00 C ATOM 487 SD MET A 32 14.282 2.410 -6.713 1.00 0.00 S ATOM 488 CE MET A 32 14.793 1.927 -5.046 1.00 0.00 C ATOM 0 H MET A 32 10.932 5.101 -5.357 1.00 0.00 H new ATOM 0 HA MET A 32 10.162 4.563 -8.104 1.00 0.00 H new ATOM 0 HB2 MET A 32 12.406 3.576 -8.271 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.523 5.041 -7.315 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.954 3.898 -5.343 1.00 0.00 H new ATOM 0 HG3 MET A 32 12.033 2.487 -5.823 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.740 1.389 -5.097 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.915 2.818 -4.430 1.00 0.00 H new ATOM 0 HE3 MET A 32 14.033 1.282 -4.605 1.00 0.00 H new ATOM 498 N LEU A 33 9.831 2.158 -5.947 1.00 0.00 N ATOM 499 CA LEU A 33 9.293 0.754 -5.770 1.00 0.00 C ATOM 500 C LEU A 33 7.828 0.817 -6.217 1.00 0.00 C ATOM 501 O LEU A 33 7.287 -0.081 -6.799 1.00 0.00 O ATOM 502 CB LEU A 33 9.292 0.395 -4.274 1.00 0.00 C ATOM 503 CG LEU A 33 10.331 -0.651 -3.898 1.00 0.00 C ATOM 504 CD1 LEU A 33 10.245 -0.882 -2.374 1.00 0.00 C ATOM 505 CD2 LEU A 33 9.986 -1.934 -4.633 1.00 0.00 C ATOM 0 H LEU A 33 10.013 2.655 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 33 9.886 0.028 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.471 1.299 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.303 0.029 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 33 11.338 -0.331 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.981 -1.629 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.447 0.053 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.246 -1.234 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.715 -2.704 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.991 -2.267 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.004 -1.754 -5.708 1.00 0.00 H new ATOM 517 N PHE A 34 7.268 1.960 -5.903 1.00 0.00 N ATOM 518 CA PHE A 34 5.844 2.190 -6.338 1.00 0.00 C ATOM 519 C PHE A 34 5.839 2.607 -7.820 1.00 0.00 C ATOM 520 O PHE A 34 4.863 2.358 -8.476 1.00 0.00 O ATOM 521 CB PHE A 34 5.125 3.171 -5.440 1.00 0.00 C ATOM 522 CG PHE A 34 4.758 2.433 -4.158 1.00 0.00 C ATOM 523 CD1 PHE A 34 4.175 1.149 -4.235 1.00 0.00 C ATOM 524 CD2 PHE A 34 4.971 2.971 -2.898 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.812 0.420 -3.096 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.599 2.229 -1.752 1.00 0.00 C ATOM 527 CZ PHE A 34 4.026 0.966 -1.834 1.00 0.00 C ATOM 0 H PHE A 34 7.709 2.720 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 34 5.280 1.262 -6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.762 4.028 -5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.231 3.556 -5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.003 0.713 -5.208 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.417 3.949 -2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.369 -0.560 -3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.767 2.661 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.754 0.422 -0.942 1.00 0.00 H new ATOM 537 N ASN A 35 6.914 3.190 -8.226 1.00 0.00 N ATOM 538 CA ASN A 35 7.139 3.673 -9.612 1.00 0.00 C ATOM 539 C ASN A 35 7.130 2.435 -10.533 1.00 0.00 C ATOM 540 O ASN A 35 6.612 2.539 -11.610 1.00 0.00 O ATOM 541 CB ASN A 35 8.432 4.476 -9.751 1.00 0.00 C ATOM 542 CG ASN A 35 8.524 5.194 -11.114 1.00 0.00 C ATOM 543 OD1 ASN A 35 8.530 4.519 -12.132 1.00 0.00 O ATOM 544 ND2 ASN A 35 8.595 6.490 -11.141 1.00 0.00 N ATOM 0 H ASN A 35 7.707 3.366 -7.609 1.00 0.00 H new ATOM 0 HA ASN A 35 6.347 4.366 -9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.489 5.212 -8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.287 3.810 -9.634 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.659 6.979 -12.034 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.587 7.019 -10.269 1.00 0.00 H new ATOM 551 N GLN A 36 7.683 1.392 -10.014 1.00 0.00 N ATOM 552 CA GLN A 36 7.723 0.082 -10.707 1.00 0.00 C ATOM 553 C GLN A 36 6.482 -0.119 -11.607 1.00 0.00 C ATOM 554 O GLN A 36 6.543 -0.690 -12.659 1.00 0.00 O ATOM 555 CB GLN A 36 7.597 -0.989 -9.602 1.00 0.00 C ATOM 556 CG GLN A 36 8.906 -1.242 -8.890 1.00 0.00 C ATOM 557 CD GLN A 36 8.789 -2.478 -7.980 1.00 0.00 C ATOM 558 OE1 GLN A 36 7.760 -2.723 -7.392 1.00 0.00 O ATOM 559 NE2 GLN A 36 9.856 -3.242 -7.882 1.00 0.00 N ATOM 0 H GLN A 36 8.130 1.390 -9.097 1.00 0.00 H new ATOM 0 HA GLN A 36 8.632 0.022 -11.306 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.848 -0.672 -8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.240 -1.920 -10.042 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.701 -1.393 -9.620 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.180 -0.370 -8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.705 -3.001 -8.394 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.834 -4.075 -7.294 1.00 0.00 H new ATOM 568 N PHE A 37 5.349 0.386 -11.140 1.00 0.00 N ATOM 569 CA PHE A 37 4.023 0.292 -11.879 1.00 0.00 C ATOM 570 C PHE A 37 3.650 1.533 -12.689 1.00 0.00 C ATOM 571 O PHE A 37 3.638 2.663 -12.226 1.00 0.00 O ATOM 572 CB PHE A 37 2.944 -0.117 -10.830 1.00 0.00 C ATOM 573 CG PHE A 37 3.415 -1.471 -10.296 1.00 0.00 C ATOM 574 CD1 PHE A 37 2.990 -2.606 -10.972 1.00 0.00 C ATOM 575 CD2 PHE A 37 4.244 -1.608 -9.187 1.00 0.00 C ATOM 576 CE1 PHE A 37 3.381 -3.891 -10.554 1.00 0.00 C ATOM 577 CE2 PHE A 37 4.644 -2.876 -8.764 1.00 0.00 C ATOM 578 CZ PHE A 37 4.211 -4.018 -9.449 1.00 0.00 C ATOM 0 H PHE A 37 5.285 0.876 -10.248 1.00 0.00 H new ATOM 0 HA PHE A 37 4.103 -0.466 -12.658 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.870 0.620 -10.030 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.957 -0.193 -11.286 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.348 -2.501 -11.834 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.579 -0.731 -8.653 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.040 -4.767 -11.086 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.290 -2.977 -7.905 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.523 -4.997 -9.117 1.00 0.00 H new ATOM 588 N PRO A 38 3.334 1.306 -13.950 1.00 0.00 N ATOM 589 CA PRO A 38 2.960 2.336 -14.934 1.00 0.00 C ATOM 590 C PRO A 38 1.919 3.359 -14.466 1.00 0.00 C ATOM 591 O PRO A 38 1.963 4.512 -14.806 1.00 0.00 O ATOM 592 CB PRO A 38 2.316 1.609 -16.135 1.00 0.00 C ATOM 593 CG PRO A 38 2.154 0.151 -15.701 1.00 0.00 C ATOM 594 CD PRO A 38 3.288 0.011 -14.654 1.00 0.00 C ATOM 0 HA PRO A 38 3.878 2.884 -15.148 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.352 2.051 -16.389 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.945 1.686 -17.022 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.172 -0.042 -15.270 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.278 -0.541 -16.534 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.084 -0.806 -13.961 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.241 -0.209 -15.135 1.00 0.00 H new ATOM 602 N GLY A 39 0.995 2.873 -13.680 1.00 0.00 N ATOM 603 CA GLY A 39 -0.080 3.751 -13.166 1.00 0.00 C ATOM 604 C GLY A 39 0.329 4.585 -11.939 1.00 0.00 C ATOM 605 O GLY A 39 -0.387 5.518 -11.667 1.00 0.00 O ATOM 0 H GLY A 39 0.944 1.901 -13.374 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.397 4.425 -13.962 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.943 3.138 -12.905 1.00 0.00 H new ATOM 609 N PHE A 40 1.391 4.212 -11.318 1.00 0.00 N ATOM 610 CA PHE A 40 1.954 4.875 -10.107 1.00 0.00 C ATOM 611 C PHE A 40 1.291 6.213 -9.856 1.00 0.00 C ATOM 612 O PHE A 40 1.614 7.154 -10.551 1.00 0.00 O ATOM 613 CB PHE A 40 3.461 5.026 -10.340 1.00 0.00 C ATOM 614 CG PHE A 40 3.983 6.175 -9.542 1.00 0.00 C ATOM 615 CD1 PHE A 40 3.909 6.087 -8.137 1.00 0.00 C ATOM 616 CD2 PHE A 40 4.525 7.303 -10.176 1.00 0.00 C ATOM 617 CE1 PHE A 40 4.396 7.176 -7.398 1.00 0.00 C ATOM 618 CE2 PHE A 40 5.012 8.390 -9.445 1.00 0.00 C ATOM 619 CZ PHE A 40 4.937 8.308 -8.045 1.00 0.00 C ATOM 0 H PHE A 40 1.942 3.409 -11.620 1.00 0.00 H new ATOM 0 HA PHE A 40 1.767 4.275 -9.216 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.976 4.109 -10.054 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.660 5.187 -11.400 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.494 5.217 -7.649 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.567 7.332 -11.255 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.356 7.148 -6.319 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.429 9.257 -9.936 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.302 9.131 -7.449 1.00 0.00 H new ATOM 629 N LYS A 41 0.385 6.277 -8.920 1.00 0.00 N ATOM 630 CA LYS A 41 -0.290 7.605 -8.735 1.00 0.00 C ATOM 631 C LYS A 41 0.224 8.394 -7.554 1.00 0.00 C ATOM 632 O LYS A 41 0.575 9.558 -7.701 1.00 0.00 O ATOM 633 CB LYS A 41 -1.808 7.358 -8.622 1.00 0.00 C ATOM 634 CG LYS A 41 -2.615 8.227 -9.556 1.00 0.00 C ATOM 635 CD LYS A 41 -3.183 9.395 -8.728 1.00 0.00 C ATOM 636 CE LYS A 41 -3.220 10.610 -9.638 1.00 0.00 C ATOM 637 NZ LYS A 41 -1.980 11.405 -9.384 1.00 0.00 N ATOM 0 H LYS A 41 0.090 5.519 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.060 8.224 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.018 6.310 -8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.126 7.543 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.990 8.601 -10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.421 7.653 -10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.182 9.158 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.560 9.587 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.271 10.304 -10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.107 11.211 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.976 12.247 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.955 11.700 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.145 10.822 -9.593 1.00 0.00 H new ATOM 651 N GLU A 42 0.277 7.794 -6.386 1.00 0.00 N ATOM 652 CA GLU A 42 0.763 8.550 -5.228 1.00 0.00 C ATOM 653 C GLU A 42 1.419 7.561 -4.249 1.00 0.00 C ATOM 654 O GLU A 42 1.061 6.416 -4.154 1.00 0.00 O ATOM 655 CB GLU A 42 -0.343 9.381 -4.559 1.00 0.00 C ATOM 656 CG GLU A 42 0.301 10.658 -4.023 1.00 0.00 C ATOM 657 CD GLU A 42 0.020 10.783 -2.517 1.00 0.00 C ATOM 658 OE1 GLU A 42 0.625 10.049 -1.765 1.00 0.00 O ATOM 659 OE2 GLU A 42 -0.808 11.631 -2.183 1.00 0.00 O ATOM 0 H GLU A 42 0.005 6.828 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 42 1.501 9.280 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.129 9.620 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.809 8.818 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.376 10.638 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.094 11.526 -4.550 1.00 0.00 H new ATOM 666 N VAL A 43 2.380 8.104 -3.544 1.00 0.00 N ATOM 667 CA VAL A 43 3.177 7.413 -2.534 1.00 0.00 C ATOM 668 C VAL A 43 3.397 8.398 -1.373 1.00 0.00 C ATOM 669 O VAL A 43 3.913 9.478 -1.484 1.00 0.00 O ATOM 670 CB VAL A 43 4.508 6.884 -3.063 1.00 0.00 C ATOM 671 CG1 VAL A 43 4.326 5.984 -4.286 1.00 0.00 C ATOM 672 CG2 VAL A 43 5.443 8.063 -3.349 1.00 0.00 C ATOM 0 H VAL A 43 2.648 9.082 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 43 2.635 6.526 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 43 4.962 6.254 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.300 5.632 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.704 5.130 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.845 6.548 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.395 7.689 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.988 8.716 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.613 8.624 -2.430 1.00 0.00 H new ATOM 682 N ARG A 44 2.910 7.951 -0.272 1.00 0.00 N ATOM 683 CA ARG A 44 2.879 8.740 1.000 1.00 0.00 C ATOM 684 C ARG A 44 3.720 7.977 2.040 1.00 0.00 C ATOM 685 O ARG A 44 3.205 7.133 2.717 1.00 0.00 O ATOM 686 CB ARG A 44 1.474 9.036 1.473 1.00 0.00 C ATOM 687 CG ARG A 44 1.374 10.530 1.810 1.00 0.00 C ATOM 688 CD ARG A 44 0.236 10.797 2.802 1.00 0.00 C ATOM 689 NE ARG A 44 0.460 9.939 3.994 1.00 0.00 N ATOM 690 CZ ARG A 44 -0.356 10.039 5.002 1.00 0.00 C ATOM 691 NH1 ARG A 44 -0.561 11.214 5.542 1.00 0.00 N ATOM 692 NH2 ARG A 44 -0.936 8.967 5.439 1.00 0.00 N ATOM 0 H ARG A 44 2.506 7.019 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 44 3.312 9.727 0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.752 8.774 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.235 8.434 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.318 10.875 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.206 11.101 0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.217 11.849 3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.728 10.573 2.346 1.00 0.00 H new ATOM 0 HE ARG A 44 1.240 9.283 4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.084 12.036 5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.198 11.308 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.749 8.068 4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.580 9.021 6.228 1.00 0.00 H new ATOM 706 N LEU A 45 4.952 8.361 2.061 1.00 0.00 N ATOM 707 CA LEU A 45 5.980 7.856 3.000 1.00 0.00 C ATOM 708 C LEU A 45 6.799 9.083 3.459 1.00 0.00 C ATOM 709 O LEU A 45 7.764 9.443 2.827 1.00 0.00 O ATOM 710 CB LEU A 45 6.968 6.894 2.309 1.00 0.00 C ATOM 711 CG LEU A 45 7.754 6.118 3.392 1.00 0.00 C ATOM 712 CD1 LEU A 45 6.844 5.088 4.067 1.00 0.00 C ATOM 713 CD2 LEU A 45 8.932 5.430 2.704 1.00 0.00 C ATOM 0 H LEU A 45 5.316 9.060 1.413 1.00 0.00 H new ATOM 0 HA LEU A 45 5.486 7.326 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.429 6.200 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.655 7.452 1.673 1.00 0.00 H new ATOM 0 HG LEU A 45 8.115 6.795 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.408 4.548 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.001 5.598 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.475 4.384 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.509 4.872 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.559 4.746 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.570 6.181 2.237 1.00 0.00 H new ATOM 725 N VAL A 46 6.428 9.746 4.509 1.00 0.00 N ATOM 726 CA VAL A 46 7.105 11.005 4.972 1.00 0.00 C ATOM 727 C VAL A 46 7.948 10.756 6.214 1.00 0.00 C ATOM 728 O VAL A 46 7.397 10.381 7.220 1.00 0.00 O ATOM 729 CB VAL A 46 6.020 12.103 5.212 1.00 0.00 C ATOM 730 CG1 VAL A 46 4.711 11.562 5.780 1.00 0.00 C ATOM 731 CG2 VAL A 46 6.582 13.133 6.176 1.00 0.00 C ATOM 0 H VAL A 46 5.647 9.461 5.100 1.00 0.00 H new ATOM 0 HA VAL A 46 7.793 11.353 4.202 1.00 0.00 H new ATOM 0 HB VAL A 46 5.784 12.535 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.008 12.383 5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.287 10.835 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.902 11.081 6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.837 13.908 6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.836 12.649 7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.477 13.583 5.747 1.00 0.00 H new ATOM 741 N PRO A 47 9.211 10.971 6.048 1.00 0.00 N ATOM 742 CA PRO A 47 10.285 10.817 7.037 1.00 0.00 C ATOM 743 C PRO A 47 9.877 11.103 8.467 1.00 0.00 C ATOM 744 O PRO A 47 8.914 11.713 8.843 1.00 0.00 O ATOM 745 CB PRO A 47 11.490 11.654 6.548 1.00 0.00 C ATOM 746 CG PRO A 47 11.424 11.290 5.027 1.00 0.00 C ATOM 747 CD PRO A 47 9.896 11.406 4.818 1.00 0.00 C ATOM 0 HA PRO A 47 10.564 9.765 7.094 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.367 12.721 6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.429 11.356 7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.988 11.983 4.403 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.803 10.290 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.625 12.435 4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.583 10.790 3.975 1.00 0.00 H new ATOM 755 N GLY A 48 10.691 10.567 9.358 1.00 0.00 N ATOM 756 CA GLY A 48 10.327 10.684 10.805 1.00 0.00 C ATOM 757 C GLY A 48 9.478 9.425 11.120 1.00 0.00 C ATOM 758 O GLY A 48 9.267 9.025 12.240 1.00 0.00 O ATOM 0 H GLY A 48 11.559 10.072 9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.218 10.724 11.432 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.762 11.596 10.995 1.00 0.00 H new ATOM 762 N ARG A 49 9.014 8.820 10.066 1.00 0.00 N ATOM 763 CA ARG A 49 8.205 7.587 10.072 1.00 0.00 C ATOM 764 C ARG A 49 8.997 6.588 9.180 1.00 0.00 C ATOM 765 O ARG A 49 9.641 5.732 9.739 1.00 0.00 O ATOM 766 CB ARG A 49 6.788 7.832 9.495 1.00 0.00 C ATOM 767 CG ARG A 49 6.144 9.014 10.229 1.00 0.00 C ATOM 768 CD ARG A 49 5.321 9.797 9.198 1.00 0.00 C ATOM 769 NE ARG A 49 5.563 11.260 9.369 1.00 0.00 N ATOM 770 CZ ARG A 49 4.725 12.043 10.010 1.00 0.00 C ATOM 771 NH1 ARG A 49 4.348 11.748 11.237 1.00 0.00 N ATOM 772 NH2 ARG A 49 4.274 13.119 9.418 1.00 0.00 N ATOM 0 H ARG A 49 9.185 9.171 9.124 1.00 0.00 H new ATOM 0 HA ARG A 49 8.053 7.212 11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.848 8.040 8.427 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.175 6.938 9.611 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.508 8.662 11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.907 9.651 10.675 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.595 9.489 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.261 9.577 9.322 1.00 0.00 H new ATOM 0 HE ARG A 49 6.411 11.667 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.707 10.909 11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.697 12.358 11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.573 13.342 8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.623 13.734 9.906 1.00 0.00 H new ATOM 786 N HIS A 50 8.864 6.761 7.893 1.00 0.00 N ATOM 787 CA HIS A 50 9.550 5.757 6.962 1.00 0.00 C ATOM 788 C HIS A 50 8.843 4.412 7.310 1.00 0.00 C ATOM 789 O HIS A 50 9.342 3.346 7.066 1.00 0.00 O ATOM 790 CB HIS A 50 11.028 5.538 7.237 1.00 0.00 C ATOM 791 CG HIS A 50 11.760 6.809 7.645 1.00 0.00 C ATOM 792 ND1 HIS A 50 12.309 7.714 6.760 1.00 0.00 N ATOM 793 CD2 HIS A 50 12.044 7.343 8.893 1.00 0.00 C ATOM 794 CE1 HIS A 50 12.886 8.724 7.426 1.00 0.00 C ATOM 795 NE2 HIS A 50 12.742 8.532 8.745 1.00 0.00 N ATOM 0 H HIS A 50 8.340 7.510 7.441 1.00 0.00 H new ATOM 0 HA HIS A 50 9.478 6.114 5.935 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.137 4.795 8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.499 5.126 6.345 1.00 0.00 H new ATOM 0 HD1 HIS A 50 12.280 7.627 5.744 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.764 6.900 9.837 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.390 9.564 6.970 1.00 0.00 H new ATOM 804 N ASP A 51 7.672 4.563 7.906 1.00 0.00 N ATOM 805 CA ASP A 51 6.928 3.343 8.333 1.00 0.00 C ATOM 806 C ASP A 51 5.432 3.360 8.101 1.00 0.00 C ATOM 807 O ASP A 51 4.762 2.408 8.387 1.00 0.00 O ATOM 808 CB ASP A 51 7.155 3.050 9.833 1.00 0.00 C ATOM 809 CG ASP A 51 6.716 4.251 10.645 1.00 0.00 C ATOM 810 OD1 ASP A 51 5.551 4.597 10.608 1.00 0.00 O ATOM 811 OD2 ASP A 51 7.582 4.809 11.303 1.00 0.00 O ATOM 0 H ASP A 51 7.219 5.454 8.106 1.00 0.00 H new ATOM 0 HA ASP A 51 7.343 2.568 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.591 2.167 10.133 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.207 2.835 10.019 1.00 0.00 H new ATOM 816 N ILE A 52 4.833 4.399 7.548 1.00 0.00 N ATOM 817 CA ILE A 52 3.397 4.480 7.240 1.00 0.00 C ATOM 818 C ILE A 52 3.339 4.815 5.729 1.00 0.00 C ATOM 819 O ILE A 52 3.747 5.856 5.289 1.00 0.00 O ATOM 820 CB ILE A 52 2.596 5.433 8.096 1.00 0.00 C ATOM 821 CG1 ILE A 52 3.050 6.888 7.966 1.00 0.00 C ATOM 822 CG2 ILE A 52 2.663 4.988 9.575 1.00 0.00 C ATOM 823 CD1 ILE A 52 1.902 7.682 7.356 1.00 0.00 C ATOM 0 H ILE A 52 5.341 5.244 7.288 1.00 0.00 H new ATOM 0 HA ILE A 52 2.909 3.535 7.478 1.00 0.00 H new ATOM 0 HB ILE A 52 1.568 5.395 7.736 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.318 7.293 8.942 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.938 6.956 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.084 5.678 10.189 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.252 3.983 9.672 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.701 4.989 9.909 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.197 8.726 7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.658 7.273 6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.029 7.615 8.005 1.00 0.00 H new ATOM 835 N ALA A 53 2.851 3.850 4.963 1.00 0.00 N ATOM 836 CA ALA A 53 2.819 3.952 3.504 1.00 0.00 C ATOM 837 C ALA A 53 1.356 4.016 3.010 1.00 0.00 C ATOM 838 O ALA A 53 0.602 3.104 3.286 1.00 0.00 O ATOM 839 CB ALA A 53 3.435 2.725 2.818 1.00 0.00 C ATOM 0 H ALA A 53 2.468 2.978 5.328 1.00 0.00 H new ATOM 0 HA ALA A 53 3.386 4.849 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.387 2.850 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.476 2.621 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.881 1.831 3.105 1.00 0.00 H new ATOM 845 N PHE A 54 1.118 5.099 2.346 1.00 0.00 N ATOM 846 CA PHE A 54 -0.181 5.412 1.644 1.00 0.00 C ATOM 847 C PHE A 54 0.105 5.508 0.122 1.00 0.00 C ATOM 848 O PHE A 54 0.671 6.431 -0.404 1.00 0.00 O ATOM 849 CB PHE A 54 -0.744 6.764 2.046 1.00 0.00 C ATOM 850 CG PHE A 54 -2.263 6.748 2.211 1.00 0.00 C ATOM 851 CD1 PHE A 54 -2.835 6.311 3.409 1.00 0.00 C ATOM 852 CD2 PHE A 54 -3.072 7.176 1.157 1.00 0.00 C ATOM 853 CE1 PHE A 54 -4.213 6.293 3.568 1.00 0.00 C ATOM 854 CE2 PHE A 54 -4.475 7.153 1.331 1.00 0.00 C ATOM 855 CZ PHE A 54 -5.060 6.713 2.531 1.00 0.00 C ATOM 0 H PHE A 54 1.811 5.841 2.246 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.891 4.628 1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.285 7.080 2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.473 7.504 1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.199 5.984 4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.636 7.517 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.639 5.952 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.112 7.481 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.133 6.699 2.652 1.00 0.00 H new ATOM 865 N VAL A 55 -0.303 4.445 -0.579 1.00 0.00 N ATOM 866 CA VAL A 55 -0.053 4.248 -2.007 1.00 0.00 C ATOM 867 C VAL A 55 -1.347 4.152 -2.818 1.00 0.00 C ATOM 868 O VAL A 55 -2.171 3.265 -2.802 1.00 0.00 O ATOM 869 CB VAL A 55 0.808 2.962 -2.153 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.216 1.975 -3.124 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.163 3.403 -2.739 1.00 0.00 C ATOM 0 H VAL A 55 -0.829 3.680 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 55 0.476 5.112 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 55 0.879 2.482 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.858 1.096 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.775 1.677 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.135 2.436 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.807 2.532 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.004 3.876 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.638 4.113 -2.063 1.00 0.00 H new ATOM 881 N GLU A 56 -1.472 5.171 -3.606 1.00 0.00 N ATOM 882 CA GLU A 56 -2.584 5.440 -4.565 1.00 0.00 C ATOM 883 C GLU A 56 -2.145 5.021 -5.990 1.00 0.00 C ATOM 884 O GLU A 56 -1.355 5.648 -6.634 1.00 0.00 O ATOM 885 CB GLU A 56 -2.982 6.910 -4.531 1.00 0.00 C ATOM 886 CG GLU A 56 -4.475 7.049 -4.847 1.00 0.00 C ATOM 887 CD GLU A 56 -4.838 8.530 -4.993 1.00 0.00 C ATOM 888 OE1 GLU A 56 -4.108 9.242 -5.662 1.00 0.00 O ATOM 889 OE2 GLU A 56 -5.857 8.925 -4.429 1.00 0.00 O ATOM 0 H GLU A 56 -0.769 5.910 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.457 4.855 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.768 7.332 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.393 7.473 -5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.713 6.514 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.068 6.596 -4.052 1.00 0.00 H new ATOM 896 N PHE A 57 -2.658 3.890 -6.382 1.00 0.00 N ATOM 897 CA PHE A 57 -2.341 3.196 -7.651 1.00 0.00 C ATOM 898 C PHE A 57 -3.522 3.275 -8.650 1.00 0.00 C ATOM 899 O PHE A 57 -4.475 2.587 -8.433 1.00 0.00 O ATOM 900 CB PHE A 57 -2.211 1.669 -7.399 1.00 0.00 C ATOM 901 CG PHE A 57 -0.833 1.197 -7.067 1.00 0.00 C ATOM 902 CD1 PHE A 57 0.190 1.328 -7.998 1.00 0.00 C ATOM 903 CD2 PHE A 57 -0.647 0.621 -5.795 1.00 0.00 C ATOM 904 CE1 PHE A 57 1.463 0.855 -7.645 1.00 0.00 C ATOM 905 CE2 PHE A 57 0.612 0.155 -5.448 1.00 0.00 C ATOM 906 CZ PHE A 57 1.640 0.283 -6.393 1.00 0.00 C ATOM 0 H PHE A 57 -3.341 3.383 -5.819 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.434 3.667 -8.031 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.879 1.393 -6.583 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.556 1.139 -8.287 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.011 1.780 -8.963 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.471 0.544 -5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.290 0.935 -8.335 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.795 -0.292 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.622 -0.083 -6.133 1.00 0.00 H new ATOM 916 N ASP A 58 -3.321 4.112 -9.595 1.00 0.00 N ATOM 917 CA ASP A 58 -4.299 4.390 -10.706 1.00 0.00 C ATOM 918 C ASP A 58 -5.356 3.313 -10.814 1.00 0.00 C ATOM 919 O ASP A 58 -6.528 3.580 -10.933 1.00 0.00 O ATOM 920 CB ASP A 58 -3.523 4.435 -12.025 1.00 0.00 C ATOM 921 CG ASP A 58 -4.134 5.477 -12.974 1.00 0.00 C ATOM 922 OD1 ASP A 58 -3.905 6.656 -12.763 1.00 0.00 O ATOM 923 OD2 ASP A 58 -4.813 5.095 -13.900 1.00 0.00 O ATOM 0 H ASP A 58 -2.466 4.664 -9.667 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.798 5.335 -10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.479 4.679 -11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.538 3.452 -12.496 1.00 0.00 H new ATOM 928 N ASN A 59 -4.955 2.080 -10.759 1.00 0.00 N ATOM 929 CA ASN A 59 -5.977 0.992 -10.825 1.00 0.00 C ATOM 930 C ASN A 59 -5.505 -0.243 -10.021 1.00 0.00 C ATOM 931 O ASN A 59 -4.365 -0.506 -9.816 1.00 0.00 O ATOM 932 CB ASN A 59 -6.359 0.626 -12.252 1.00 0.00 C ATOM 933 CG ASN A 59 -5.197 -0.021 -13.016 1.00 0.00 C ATOM 934 OD1 ASN A 59 -4.624 -0.988 -12.546 1.00 0.00 O ATOM 935 ND2 ASN A 59 -4.840 0.472 -14.159 1.00 0.00 N ATOM 0 H ASN A 59 -3.985 1.775 -10.673 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.887 1.375 -10.364 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.206 -0.059 -12.235 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.684 1.522 -12.780 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.070 0.050 -14.678 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.329 1.282 -14.540 1.00 0.00 H new ATOM 942 N GLU A 60 -6.471 -0.977 -9.579 1.00 0.00 N ATOM 943 CA GLU A 60 -6.275 -2.247 -8.775 1.00 0.00 C ATOM 944 C GLU A 60 -5.483 -3.326 -9.515 1.00 0.00 C ATOM 945 O GLU A 60 -4.950 -4.217 -8.924 1.00 0.00 O ATOM 946 CB GLU A 60 -7.603 -2.750 -8.218 1.00 0.00 C ATOM 947 CG GLU A 60 -8.560 -3.112 -9.340 1.00 0.00 C ATOM 948 CD GLU A 60 -9.498 -1.944 -9.711 1.00 0.00 C ATOM 949 OE1 GLU A 60 -9.125 -0.784 -9.538 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.613 -2.193 -10.169 1.00 0.00 O ATOM 0 H GLU A 60 -7.452 -0.752 -9.742 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.644 -1.988 -7.925 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.430 -3.622 -7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.051 -1.983 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.989 -3.410 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.157 -3.974 -9.041 1.00 0.00 H new ATOM 957 N VAL A 61 -5.366 -3.307 -10.820 1.00 0.00 N ATOM 958 CA VAL A 61 -4.559 -4.339 -11.561 1.00 0.00 C ATOM 959 C VAL A 61 -3.079 -4.055 -11.169 1.00 0.00 C ATOM 960 O VAL A 61 -2.315 -4.908 -10.783 1.00 0.00 O ATOM 961 CB VAL A 61 -4.678 -4.153 -13.069 1.00 0.00 C ATOM 962 CG1 VAL A 61 -3.484 -4.795 -13.802 1.00 0.00 C ATOM 963 CG2 VAL A 61 -5.956 -4.835 -13.591 1.00 0.00 C ATOM 0 H VAL A 61 -5.803 -2.607 -11.419 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.900 -5.344 -11.312 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.703 -3.080 -13.260 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.595 -4.647 -14.876 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.558 -4.330 -13.465 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.454 -5.862 -13.584 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.029 -4.695 -14.669 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.918 -5.901 -13.366 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.827 -4.393 -13.108 1.00 0.00 H new ATOM 973 N GLN A 62 -2.777 -2.776 -11.295 1.00 0.00 N ATOM 974 CA GLN A 62 -1.394 -2.361 -10.900 1.00 0.00 C ATOM 975 C GLN A 62 -1.319 -2.221 -9.380 1.00 0.00 C ATOM 976 O GLN A 62 -0.230 -2.380 -8.848 1.00 0.00 O ATOM 977 CB GLN A 62 -0.850 -1.126 -11.639 1.00 0.00 C ATOM 978 CG GLN A 62 -1.880 -0.037 -11.926 1.00 0.00 C ATOM 979 CD GLN A 62 -1.373 1.296 -11.322 1.00 0.00 C ATOM 980 OE1 GLN A 62 -2.141 2.101 -10.820 1.00 0.00 O ATOM 981 NE2 GLN A 62 -0.104 1.594 -11.339 1.00 0.00 N ATOM 0 H GLN A 62 -3.395 -2.040 -11.636 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.722 -3.156 -11.223 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.043 -0.694 -11.047 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.414 -1.450 -12.584 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.030 0.068 -13.001 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.844 -0.305 -11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.567 0.945 -11.750 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.218 2.476 -10.941 1.00 0.00 H new ATOM 990 N ALA A 63 -2.363 -1.952 -8.692 1.00 0.00 N ATOM 991 CA ALA A 63 -2.226 -1.825 -7.206 1.00 0.00 C ATOM 992 C ALA A 63 -2.015 -3.263 -6.689 1.00 0.00 C ATOM 993 O ALA A 63 -1.235 -3.567 -5.828 1.00 0.00 O ATOM 994 CB ALA A 63 -3.488 -1.186 -6.646 1.00 0.00 C ATOM 0 H ALA A 63 -3.301 -1.813 -9.067 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.394 -1.191 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.398 -1.089 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.623 -0.199 -7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.349 -1.811 -6.884 1.00 0.00 H new ATOM 1000 N GLY A 64 -2.784 -4.119 -7.310 1.00 0.00 N ATOM 1001 CA GLY A 64 -2.789 -5.590 -7.025 1.00 0.00 C ATOM 1002 C GLY A 64 -1.444 -6.150 -7.489 1.00 0.00 C ATOM 1003 O GLY A 64 -0.823 -7.054 -6.935 1.00 0.00 O ATOM 0 H GLY A 64 -3.442 -3.845 -8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.935 -5.774 -5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.610 -6.080 -7.549 1.00 0.00 H new ATOM 1007 N ALA A 65 -0.918 -5.616 -8.563 1.00 0.00 N ATOM 1008 CA ALA A 65 0.395 -6.084 -9.108 1.00 0.00 C ATOM 1009 C ALA A 65 1.456 -5.721 -8.083 1.00 0.00 C ATOM 1010 O ALA A 65 2.195 -6.533 -7.561 1.00 0.00 O ATOM 1011 CB ALA A 65 0.750 -5.420 -10.426 1.00 0.00 C ATOM 0 H ALA A 65 -1.351 -4.861 -9.095 1.00 0.00 H new ATOM 0 HA ALA A 65 0.335 -7.157 -9.293 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.711 -5.796 -10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.018 -5.645 -11.166 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.812 -4.341 -10.285 1.00 0.00 H new ATOM 1017 N ALA A 66 1.584 -4.447 -7.731 1.00 0.00 N ATOM 1018 CA ALA A 66 2.569 -3.959 -6.734 1.00 0.00 C ATOM 1019 C ALA A 66 2.351 -4.663 -5.404 1.00 0.00 C ATOM 1020 O ALA A 66 3.249 -5.137 -4.760 1.00 0.00 O ATOM 1021 CB ALA A 66 2.338 -2.463 -6.487 1.00 0.00 C ATOM 0 H ALA A 66 1.007 -3.704 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 66 3.572 -4.151 -7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.059 -2.099 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.463 -1.916 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.328 -2.309 -6.108 1.00 0.00 H new ATOM 1027 N ARG A 67 1.124 -4.757 -4.955 1.00 0.00 N ATOM 1028 CA ARG A 67 0.771 -5.414 -3.694 1.00 0.00 C ATOM 1029 C ARG A 67 1.215 -6.878 -3.736 1.00 0.00 C ATOM 1030 O ARG A 67 1.869 -7.326 -2.829 1.00 0.00 O ATOM 1031 CB ARG A 67 -0.748 -5.327 -3.430 1.00 0.00 C ATOM 1032 CG ARG A 67 -1.089 -5.579 -1.960 1.00 0.00 C ATOM 1033 CD ARG A 67 -0.928 -7.072 -1.584 1.00 0.00 C ATOM 1034 NE ARG A 67 -2.202 -7.673 -1.107 1.00 0.00 N ATOM 1035 CZ ARG A 67 -2.378 -7.939 0.152 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -2.841 -7.000 0.922 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -2.081 -9.139 0.597 1.00 0.00 N ATOM 0 H ARG A 67 0.320 -4.377 -5.454 1.00 0.00 H new ATOM 0 HA ARG A 67 1.284 -4.901 -2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.111 -4.342 -3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.267 -6.056 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.442 -4.972 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.114 -5.263 -1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.569 -7.626 -2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.169 -7.169 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.945 -7.878 -1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.056 -6.082 0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.989 -7.181 1.915 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.718 -9.845 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.213 -9.364 1.583 1.00 0.00 H new ATOM 1051 N ASP A 68 0.845 -7.560 -4.781 1.00 0.00 N ATOM 1052 CA ASP A 68 1.227 -8.993 -4.917 1.00 0.00 C ATOM 1053 C ASP A 68 2.725 -9.183 -5.189 1.00 0.00 C ATOM 1054 O ASP A 68 3.305 -10.230 -4.932 1.00 0.00 O ATOM 1055 CB ASP A 68 0.434 -9.614 -6.098 1.00 0.00 C ATOM 1056 CG ASP A 68 0.809 -11.094 -6.221 1.00 0.00 C ATOM 1057 OD1 ASP A 68 0.888 -11.752 -5.188 1.00 0.00 O ATOM 1058 OD2 ASP A 68 1.007 -11.541 -7.326 1.00 0.00 O ATOM 0 H ASP A 68 0.291 -7.186 -5.552 1.00 0.00 H new ATOM 0 HA ASP A 68 0.994 -9.482 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.638 -9.509 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.664 -9.088 -7.025 1.00 0.00 H new ATOM 1063 N ALA A 69 3.415 -8.196 -5.718 1.00 0.00 N ATOM 1064 CA ALA A 69 4.879 -8.322 -6.005 1.00 0.00 C ATOM 1065 C ALA A 69 5.638 -8.162 -4.699 1.00 0.00 C ATOM 1066 O ALA A 69 6.509 -8.929 -4.377 1.00 0.00 O ATOM 1067 CB ALA A 69 5.244 -7.151 -6.929 1.00 0.00 C ATOM 0 H ALA A 69 3.014 -7.292 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 69 5.122 -9.283 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.306 -7.195 -7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.660 -7.216 -7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.025 -6.209 -6.426 1.00 0.00 H new ATOM 1073 N LEU A 70 5.265 -7.132 -3.961 1.00 0.00 N ATOM 1074 CA LEU A 70 5.951 -6.882 -2.653 1.00 0.00 C ATOM 1075 C LEU A 70 4.922 -7.224 -1.553 1.00 0.00 C ATOM 1076 O LEU A 70 4.819 -6.549 -0.550 1.00 0.00 O ATOM 1077 CB LEU A 70 6.494 -5.457 -2.510 1.00 0.00 C ATOM 1078 CG LEU A 70 5.404 -4.452 -2.855 1.00 0.00 C ATOM 1079 CD1 LEU A 70 5.465 -3.244 -1.911 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.701 -3.962 -4.277 1.00 0.00 C ATOM 0 H LEU A 70 4.530 -6.469 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 70 6.840 -7.508 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.844 -5.292 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.352 -5.317 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 70 4.421 -4.914 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.678 -2.537 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.324 -3.578 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.436 -2.758 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.946 -3.235 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.685 -3.494 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.683 -4.808 -4.964 1.00 0.00 H new ATOM 1092 N GLN A 71 4.151 -8.255 -1.713 1.00 0.00 N ATOM 1093 CA GLN A 71 3.110 -8.680 -0.714 1.00 0.00 C ATOM 1094 C GLN A 71 3.734 -9.308 0.548 1.00 0.00 C ATOM 1095 O GLN A 71 3.083 -10.053 1.256 1.00 0.00 O ATOM 1096 CB GLN A 71 2.225 -9.748 -1.341 1.00 0.00 C ATOM 1097 CG GLN A 71 0.883 -9.751 -0.623 1.00 0.00 C ATOM 1098 CD GLN A 71 0.325 -11.175 -0.529 1.00 0.00 C ATOM 1099 OE1 GLN A 71 0.222 -11.710 0.567 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -0.046 -11.832 -1.588 1.00 0.00 N ATOM 0 H GLN A 71 4.195 -8.858 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 71 2.552 -7.786 -0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.085 -9.547 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.699 -10.726 -1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.999 -9.333 0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.178 -9.113 -1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.033 -11.401 -2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.416 -12.778 -1.498 1.00 0.00 H new ATOM 1109 N GLY A 72 4.958 -9.054 0.870 1.00 0.00 N ATOM 1110 CA GLY A 72 5.532 -9.686 2.105 1.00 0.00 C ATOM 1111 C GLY A 72 6.976 -9.225 2.258 1.00 0.00 C ATOM 1112 O GLY A 72 7.905 -10.003 2.262 1.00 0.00 O ATOM 0 H GLY A 72 5.591 -8.447 0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.949 -9.403 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.487 -10.773 2.030 1.00 0.00 H new ATOM 1116 N PHE A 73 7.154 -7.951 2.384 1.00 0.00 N ATOM 1117 CA PHE A 73 8.563 -7.449 2.540 1.00 0.00 C ATOM 1118 C PHE A 73 8.964 -7.783 3.994 1.00 0.00 C ATOM 1119 O PHE A 73 8.974 -6.916 4.831 1.00 0.00 O ATOM 1120 CB PHE A 73 8.554 -5.959 2.268 1.00 0.00 C ATOM 1121 CG PHE A 73 9.945 -5.354 2.405 1.00 0.00 C ATOM 1122 CD1 PHE A 73 11.085 -6.080 2.024 1.00 0.00 C ATOM 1123 CD2 PHE A 73 10.146 -4.065 2.909 1.00 0.00 C ATOM 1124 CE1 PHE A 73 12.387 -5.542 2.140 1.00 0.00 C ATOM 1125 CE2 PHE A 73 11.440 -3.521 3.027 1.00 0.00 C ATOM 1126 CZ PHE A 73 12.575 -4.261 2.639 1.00 0.00 C ATOM 0 H PHE A 73 6.420 -7.242 2.388 1.00 0.00 H new ATOM 0 HA PHE A 73 9.277 -7.902 1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.174 -5.775 1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.873 -5.466 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.963 -7.079 1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.294 -3.476 3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.240 -6.131 1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.564 -2.523 3.420 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.566 -3.842 2.728 1.00 0.00 H new ATOM 1136 N LYS A 74 9.268 -9.036 4.210 1.00 0.00 N ATOM 1137 CA LYS A 74 9.675 -9.553 5.533 1.00 0.00 C ATOM 1138 C LYS A 74 10.949 -8.804 5.958 1.00 0.00 C ATOM 1139 O LYS A 74 12.010 -9.336 5.755 1.00 0.00 O ATOM 1140 CB LYS A 74 9.957 -11.058 5.514 1.00 0.00 C ATOM 1141 CG LYS A 74 10.650 -11.411 4.188 1.00 0.00 C ATOM 1142 CD LYS A 74 11.858 -12.300 4.452 1.00 0.00 C ATOM 1143 CE LYS A 74 11.312 -13.724 4.687 1.00 0.00 C ATOM 1144 NZ LYS A 74 11.980 -14.659 3.743 1.00 0.00 N ATOM 0 H LYS A 74 9.246 -9.749 3.481 1.00 0.00 H new ATOM 0 HA LYS A 74 8.856 -9.391 6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.590 -11.335 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.028 -11.618 5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.950 -11.922 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.963 -10.500 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.545 -12.283 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.415 -11.950 5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.495 -14.033 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.233 -13.743 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.618 -15.622 3.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.783 -14.365 2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.007 -14.645 3.909 1.00 0.00 H new ATOM 1158 N ILE A 75 10.763 -7.645 6.507 1.00 0.00 N ATOM 1159 CA ILE A 75 11.899 -6.791 6.978 1.00 0.00 C ATOM 1160 C ILE A 75 12.775 -7.668 7.862 1.00 0.00 C ATOM 1161 O ILE A 75 13.961 -7.462 7.955 1.00 0.00 O ATOM 1162 CB ILE A 75 11.292 -5.633 7.779 1.00 0.00 C ATOM 1163 CG1 ILE A 75 10.778 -4.597 6.766 1.00 0.00 C ATOM 1164 CG2 ILE A 75 12.304 -4.970 8.706 1.00 0.00 C ATOM 1165 CD1 ILE A 75 9.253 -4.458 6.874 1.00 0.00 C ATOM 0 H ILE A 75 9.842 -7.233 6.658 1.00 0.00 H new ATOM 0 HA ILE A 75 12.498 -6.386 6.162 1.00 0.00 H new ATOM 0 HB ILE A 75 10.493 -6.022 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.252 -3.633 6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.052 -4.900 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.822 -4.157 9.249 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.684 -5.705 9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 75 13.131 -4.573 8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.903 -3.721 6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.784 -5.420 6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.988 -4.134 7.880 1.00 0.00 H new ATOM 1177 N THR A 76 12.139 -8.627 8.483 1.00 0.00 N ATOM 1178 CA THR A 76 12.916 -9.548 9.380 1.00 0.00 C ATOM 1179 C THR A 76 12.442 -10.976 9.018 1.00 0.00 C ATOM 1180 O THR A 76 13.251 -11.797 8.626 1.00 0.00 O ATOM 1181 CB THR A 76 12.590 -9.233 10.840 1.00 0.00 C ATOM 1182 OG1 THR A 76 13.065 -7.920 11.155 1.00 0.00 O ATOM 1183 CG2 THR A 76 13.312 -10.193 11.795 1.00 0.00 C ATOM 0 H THR A 76 11.139 -8.814 8.414 1.00 0.00 H new ATOM 0 HA THR A 76 13.993 -9.440 9.251 1.00 0.00 H new ATOM 0 HB THR A 76 11.510 -9.324 10.960 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.857 -7.712 12.090 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.058 -9.941 12.825 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.002 -11.217 11.585 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.389 -10.104 11.655 1.00 0.00 H new ATOM 1191 N GLN A 77 11.178 -11.178 9.167 1.00 0.00 N ATOM 1192 CA GLN A 77 10.474 -12.458 8.894 1.00 0.00 C ATOM 1193 C GLN A 77 9.218 -12.459 9.801 1.00 0.00 C ATOM 1194 O GLN A 77 8.153 -12.930 9.452 1.00 0.00 O ATOM 1195 CB GLN A 77 11.327 -13.682 9.142 1.00 0.00 C ATOM 1196 CG GLN A 77 11.993 -13.656 10.530 1.00 0.00 C ATOM 1197 CD GLN A 77 12.540 -15.053 10.844 1.00 0.00 C ATOM 1198 OE1 GLN A 77 12.496 -15.967 10.031 1.00 0.00 O ATOM 1199 NE2 GLN A 77 13.076 -15.302 12.006 1.00 0.00 N ATOM 0 H GLN A 77 10.548 -10.446 9.495 1.00 0.00 H new ATOM 0 HA GLN A 77 10.217 -12.516 7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.710 -14.576 9.054 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.097 -13.748 8.373 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.799 -12.923 10.548 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.271 -13.354 11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.131 -14.566 12.710 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.440 -16.233 12.211 1.00 0.00 H new ATOM 1208 N ASN A 78 9.429 -11.896 10.961 1.00 0.00 N ATOM 1209 CA ASN A 78 8.340 -11.748 11.994 1.00 0.00 C ATOM 1210 C ASN A 78 7.757 -10.334 11.744 1.00 0.00 C ATOM 1211 O ASN A 78 6.604 -10.036 11.947 1.00 0.00 O ATOM 1212 CB ASN A 78 8.881 -11.860 13.406 1.00 0.00 C ATOM 1213 CG ASN A 78 10.237 -12.596 13.343 1.00 0.00 C ATOM 1214 OD1 ASN A 78 11.215 -11.930 13.086 1.00 0.00 O ATOM 1215 ND2 ASN A 78 10.333 -13.878 13.552 1.00 0.00 N ATOM 0 H ASN A 78 10.332 -11.520 11.251 1.00 0.00 H new ATOM 0 HA ASN A 78 7.592 -12.536 11.903 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.005 -10.870 13.846 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.181 -12.405 14.040 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.243 -14.336 13.500 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.498 -14.424 13.767 1.00 0.00 H new ATOM 1222 N ASN A 79 8.649 -9.496 11.278 1.00 0.00 N ATOM 1223 CA ASN A 79 8.336 -8.073 10.926 1.00 0.00 C ATOM 1224 C ASN A 79 8.274 -8.034 9.378 1.00 0.00 C ATOM 1225 O ASN A 79 9.317 -8.129 8.763 1.00 0.00 O ATOM 1226 CB ASN A 79 9.433 -7.116 11.345 1.00 0.00 C ATOM 1227 CG ASN A 79 9.743 -7.351 12.815 1.00 0.00 C ATOM 1228 OD1 ASN A 79 10.538 -8.202 13.163 1.00 0.00 O ATOM 1229 ND2 ASN A 79 9.158 -6.639 13.742 1.00 0.00 N ATOM 0 H ASN A 79 9.624 -9.751 11.120 1.00 0.00 H new ATOM 0 HA ASN A 79 7.417 -7.772 11.428 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.325 -7.274 10.740 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.118 -6.085 11.184 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.374 -6.805 14.725 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.486 -5.917 13.482 1.00 0.00 H new ATOM 1236 N ALA A 80 7.106 -7.911 8.845 1.00 0.00 N ATOM 1237 CA ALA A 80 7.001 -7.880 7.344 1.00 0.00 C ATOM 1238 C ALA A 80 6.078 -6.681 7.034 1.00 0.00 C ATOM 1239 O ALA A 80 5.092 -6.551 7.707 1.00 0.00 O ATOM 1240 CB ALA A 80 6.395 -9.168 6.828 1.00 0.00 C ATOM 0 H ALA A 80 6.226 -7.831 9.355 1.00 0.00 H new ATOM 0 HA ALA A 80 7.975 -7.780 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.327 -9.128 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.023 -10.009 7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.398 -9.296 7.250 1.00 0.00 H new ATOM 1246 N MET A 81 6.473 -5.923 6.066 1.00 0.00 N ATOM 1247 CA MET A 81 5.664 -4.720 5.659 1.00 0.00 C ATOM 1248 C MET A 81 4.180 -5.002 5.705 1.00 0.00 C ATOM 1249 O MET A 81 3.766 -6.064 5.255 1.00 0.00 O ATOM 1250 CB MET A 81 6.085 -4.424 4.202 1.00 0.00 C ATOM 1251 CG MET A 81 5.033 -3.627 3.455 1.00 0.00 C ATOM 1252 SD MET A 81 5.771 -2.362 2.370 1.00 0.00 S ATOM 1253 CE MET A 81 6.875 -3.398 1.416 1.00 0.00 C ATOM 0 H MET A 81 7.325 -6.072 5.525 1.00 0.00 H new ATOM 0 HA MET A 81 5.845 -3.884 6.335 1.00 0.00 H new ATOM 0 HB2 MET A 81 7.025 -3.872 4.202 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.266 -5.363 3.680 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.422 -4.304 2.858 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.367 -3.146 4.171 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.987 -2.985 0.414 1.00 0.00 H new ATOM 0 HE2 MET A 81 7.849 -3.437 1.903 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.462 -4.405 1.349 1.00 0.00 H new ATOM 1263 N LYS A 82 3.300 -4.145 6.198 1.00 0.00 N ATOM 1264 CA LYS A 82 1.850 -4.417 6.226 1.00 0.00 C ATOM 1265 C LYS A 82 1.153 -3.219 5.510 1.00 0.00 C ATOM 1266 O LYS A 82 1.306 -2.130 6.001 1.00 0.00 O ATOM 1267 CB LYS A 82 1.436 -4.616 7.679 1.00 0.00 C ATOM 1268 CG LYS A 82 1.593 -6.116 8.043 1.00 0.00 C ATOM 1269 CD LYS A 82 0.392 -6.904 7.545 1.00 0.00 C ATOM 1270 CE LYS A 82 0.872 -7.796 6.399 1.00 0.00 C ATOM 1271 NZ LYS A 82 1.534 -8.983 7.010 1.00 0.00 N ATOM 0 H LYS A 82 3.558 -3.240 6.592 1.00 0.00 H new ATOM 0 HA LYS A 82 1.558 -5.326 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.053 -4.002 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.403 -4.299 7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.507 -6.512 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.688 -6.228 9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.031 -7.507 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.394 -6.230 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.034 -8.103 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.568 -7.256 5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.815 -9.648 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.378 -8.678 7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.872 -9.453 7.660 1.00 0.00 H new ATOM 1285 N ILE A 83 0.546 -3.598 4.418 1.00 0.00 N ATOM 1286 CA ILE A 83 -0.134 -2.737 3.422 1.00 0.00 C ATOM 1287 C ILE A 83 -1.579 -3.282 3.337 1.00 0.00 C ATOM 1288 O ILE A 83 -1.786 -4.440 3.096 1.00 0.00 O ATOM 1289 CB ILE A 83 0.630 -2.901 2.075 1.00 0.00 C ATOM 1290 CG1 ILE A 83 1.659 -1.785 1.987 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -0.345 -2.775 0.923 1.00 0.00 C ATOM 1292 CD1 ILE A 83 2.668 -2.164 0.894 1.00 0.00 C ATOM 0 H ILE A 83 0.496 -4.584 4.160 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.150 -1.677 3.675 1.00 0.00 H new ATOM 0 HB ILE A 83 1.114 -3.876 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.176 -0.837 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.164 -1.654 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.189 -2.890 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.107 -3.550 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.820 -1.794 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.421 -1.381 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.152 -3.105 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.149 -2.276 -0.058 1.00 0.00 H new ATOM 1304 N SER A 84 -2.442 -2.378 3.609 1.00 0.00 N ATOM 1305 CA SER A 84 -3.907 -2.643 3.713 1.00 0.00 C ATOM 1306 C SER A 84 -4.657 -1.798 2.676 1.00 0.00 C ATOM 1307 O SER A 84 -4.787 -0.623 2.853 1.00 0.00 O ATOM 1308 CB SER A 84 -4.385 -2.367 5.136 1.00 0.00 C ATOM 1309 OG SER A 84 -4.949 -1.091 5.303 1.00 0.00 O ATOM 0 H SER A 84 -2.192 -1.403 3.776 1.00 0.00 H new ATOM 0 HA SER A 84 -4.114 -3.691 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.122 -3.120 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.544 -2.475 5.820 1.00 0.00 H new ATOM 0 HG SER A 84 -4.573 -0.478 4.637 1.00 0.00 H new ATOM 1315 N PHE A 85 -5.083 -2.437 1.655 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.882 -1.765 0.569 1.00 0.00 C ATOM 1317 C PHE A 85 -6.889 -0.837 1.222 1.00 0.00 C ATOM 1318 O PHE A 85 -7.290 -1.083 2.351 1.00 0.00 O ATOM 1319 CB PHE A 85 -6.728 -2.802 -0.188 1.00 0.00 C ATOM 1320 CG PHE A 85 -5.933 -3.786 -0.969 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -5.495 -3.605 -2.284 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -5.603 -5.004 -0.339 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -4.755 -4.571 -2.986 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -4.872 -5.990 -1.008 1.00 0.00 C ATOM 1325 CZ PHE A 85 -4.445 -5.780 -2.329 1.00 0.00 C ATOM 0 H PHE A 85 -4.918 -3.432 1.499 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.190 -1.250 -0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.349 -3.340 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.403 -2.279 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.737 -2.679 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.921 -5.178 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.432 -4.393 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.635 -6.917 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.879 -6.544 -2.842 1.00 0.00 H new ATOM 1335 N ALA A 86 -7.352 0.202 0.625 1.00 0.00 N ATOM 1336 CA ALA A 86 -8.322 1.084 1.286 1.00 0.00 C ATOM 1337 C ALA A 86 -9.557 0.319 1.813 1.00 0.00 C ATOM 1338 O ALA A 86 -10.242 0.923 2.601 1.00 0.00 O ATOM 1339 CB ALA A 86 -8.843 2.196 0.388 1.00 0.00 C ATOM 0 H ALA A 86 -7.092 0.486 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.755 1.514 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.555 2.808 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.010 2.817 0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.338 1.761 -0.480 1.00 0.00 H new ATOM 1345 N LYS A 87 -9.733 -0.883 1.367 1.00 0.00 N ATOM 1346 CA LYS A 87 -10.858 -1.793 1.777 1.00 0.00 C ATOM 1347 C LYS A 87 -11.755 -1.138 2.808 1.00 0.00 C ATOM 1348 O LYS A 87 -11.526 -1.010 3.982 1.00 0.00 O ATOM 1349 CB LYS A 87 -10.329 -3.167 2.223 1.00 0.00 C ATOM 1350 CG LYS A 87 -10.877 -3.605 3.560 1.00 0.00 C ATOM 1351 CD LYS A 87 -10.608 -5.105 3.710 1.00 0.00 C ATOM 1352 CE LYS A 87 -9.405 -5.353 4.625 1.00 0.00 C ATOM 1353 NZ LYS A 87 -9.290 -6.824 4.815 1.00 0.00 N ATOM 0 H LYS A 87 -9.104 -1.310 0.687 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.484 -1.974 0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.587 -3.911 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.241 -3.131 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.401 -3.049 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.946 -3.401 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.490 -5.598 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.422 -5.546 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.495 -4.951 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.541 -4.851 5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.480 -7.032 5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.161 -7.187 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.148 -7.283 3.893 1.00 0.00 H new ATOM 1367 N LYS A 88 -12.863 -0.648 2.315 1.00 0.00 N ATOM 1368 CA LYS A 88 -13.884 0.071 3.123 1.00 0.00 C ATOM 1369 C LYS A 88 -15.143 -0.744 3.313 1.00 0.00 C ATOM 1370 O LYS A 88 -16.147 -0.121 3.620 1.00 0.00 O ATOM 1371 CB LYS A 88 -14.170 1.412 2.404 1.00 0.00 C ATOM 1372 CG LYS A 88 -14.954 1.205 1.116 1.00 0.00 C ATOM 1373 CD LYS A 88 -16.010 2.319 1.045 1.00 0.00 C ATOM 1374 CE LYS A 88 -17.171 1.762 0.227 1.00 0.00 C ATOM 1375 NZ LYS A 88 -18.276 2.753 0.138 1.00 0.00 N ATOM 1376 OXT LYS A 88 -15.085 -1.955 3.158 1.00 0.00 O ATOM 0 H LYS A 88 -13.110 -0.725 1.328 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.506 0.249 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.730 2.069 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.228 1.913 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.292 1.247 0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.428 0.224 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.341 2.605 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.599 3.214 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.826 1.504 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.537 0.843 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.056 2.354 -0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.617 2.979 1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.929 3.620 -0.320 1.00 0.00 H new TER 1390 LYS A 88