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 Set 1.1: A 59 ASN : amide:sc= -4.64! C(o=-8.8!,f=-19!) USER MOD Set 1.2: A 62 GLN : amide:sc= -4.11! C(o=-8.8!,f=-14!) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 35 ASN : amide:sc= -0.855 K(o=-0.85,f=-2.2!) USER MOD Single : A 1 MET CE :methyl -94:sc= -0.0398 (180deg=-0.14) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.603 (180deg=-0.603) USER MOD Single : A 5 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.605 K(o=-0.6,f=-1.6!) USER MOD Single : A 13 ASN : amide:sc= -4.55! C(o=-4.6!,f=-14!) USER MOD Single : A 14 HIS : no HD1:sc= -5.5! K(o=-5.5!,f=-4.4) USER MOD Single : A 19 THR OG1 : rot 99:sc= 0.405! USER MOD Single : A 20 ASN : amide:sc= -0.528 K(o=-0.53,f=-3!) USER MOD Single : A 25 THR OG1 : rot 152:sc= 0.931 USER MOD Single : A 26 ASN : amide:sc= -6.03! C(o=-6!,f=-23!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.173 X(o=0.17,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HE2:sc= -3.16 K(o=-3.2,f=-4.5!) USER MOD Single : A 71 GLN : amide:sc= -1.74 K(o=-1.7,f=-6.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 77 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.6!) USER MOD Single : A 78 ASN : amide:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 79 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.074) USER MOD Single : A 81 MET CE :methyl 146:sc= -6.19! (180deg=-7.95!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.075) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.374 11.012 8.544 1.00 0.00 N ATOM 2 CA MET A 1 -27.352 10.150 7.839 1.00 0.00 C ATOM 3 C MET A 1 -26.716 9.520 6.586 1.00 0.00 C ATOM 4 O MET A 1 -27.033 8.447 6.138 1.00 0.00 O ATOM 5 CB MET A 1 -28.628 10.927 7.466 1.00 0.00 C ATOM 6 CG MET A 1 -28.290 12.135 6.582 1.00 0.00 C ATOM 7 SD MET A 1 -29.119 11.966 4.976 1.00 0.00 S ATOM 8 CE MET A 1 -30.773 12.364 5.625 1.00 0.00 C ATOM 0 H1 MET A 1 -26.821 11.428 9.386 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.554 10.442 8.834 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.060 11.772 7.908 1.00 0.00 H new ATOM 0 HA MET A 1 -27.640 9.352 8.523 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.320 10.269 6.941 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.133 11.263 8.372 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.607 13.056 7.071 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.211 12.204 6.440 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.296 11.442 5.879 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.675 12.983 6.517 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.340 12.906 4.868 1.00 0.00 H new ATOM 20 N ALA A 2 -25.779 10.225 5.998 1.00 0.00 N ATOM 21 CA ALA A 2 -25.120 9.674 4.775 1.00 0.00 C ATOM 22 C ALA A 2 -24.346 8.419 5.157 1.00 0.00 C ATOM 23 O ALA A 2 -23.453 8.463 5.988 1.00 0.00 O ATOM 24 CB ALA A 2 -24.203 10.740 4.160 1.00 0.00 C ATOM 0 H ALA A 2 -25.448 11.140 6.305 1.00 0.00 H new ATOM 0 HA ALA A 2 -25.865 9.406 4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -23.723 10.337 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -24.793 11.616 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -23.440 11.026 4.884 1.00 0.00 H new ATOM 30 N PRO A 3 -24.667 7.293 4.567 1.00 0.00 N ATOM 31 CA PRO A 3 -23.989 6.018 4.855 1.00 0.00 C ATOM 32 C PRO A 3 -22.683 5.941 4.050 1.00 0.00 C ATOM 33 O PRO A 3 -22.460 4.998 3.329 1.00 0.00 O ATOM 34 CB PRO A 3 -25.011 4.961 4.450 1.00 0.00 C ATOM 35 CG PRO A 3 -25.774 5.587 3.256 1.00 0.00 C ATOM 36 CD PRO A 3 -25.714 7.107 3.557 1.00 0.00 C ATOM 0 HA PRO A 3 -23.693 5.888 5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -24.524 4.029 4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -25.687 4.728 5.273 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -25.301 5.346 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -26.801 5.227 3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -25.486 7.672 2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -26.675 7.468 3.924 1.00 0.00 H new ATOM 44 N ALA A 4 -21.834 6.931 4.181 1.00 0.00 N ATOM 45 CA ALA A 4 -20.530 6.946 3.437 1.00 0.00 C ATOM 46 C ALA A 4 -19.459 6.453 4.406 1.00 0.00 C ATOM 47 O ALA A 4 -18.387 7.011 4.471 1.00 0.00 O ATOM 48 CB ALA A 4 -20.184 8.361 2.989 1.00 0.00 C ATOM 0 H ALA A 4 -21.989 7.742 4.780 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.594 6.315 2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.236 8.351 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.969 8.737 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -20.100 9.009 3.862 1.00 0.00 H new ATOM 54 N GLN A 5 -19.800 5.416 5.124 1.00 0.00 N ATOM 55 CA GLN A 5 -18.807 4.888 6.083 1.00 0.00 C ATOM 56 C GLN A 5 -18.956 3.355 6.102 1.00 0.00 C ATOM 57 O GLN A 5 -20.074 2.870 6.036 1.00 0.00 O ATOM 58 CB GLN A 5 -19.072 5.386 7.518 1.00 0.00 C ATOM 59 CG GLN A 5 -19.639 6.789 7.428 1.00 0.00 C ATOM 60 CD GLN A 5 -19.967 7.318 8.833 1.00 0.00 C ATOM 61 OE1 GLN A 5 -19.616 8.424 9.198 1.00 0.00 O ATOM 62 NE2 GLN A 5 -20.637 6.574 9.663 1.00 0.00 N ATOM 0 H GLN A 5 -20.696 4.929 5.087 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.816 5.220 5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.772 4.724 8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.150 5.384 8.099 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.921 7.449 6.941 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.539 6.787 6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.943 5.643 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.857 6.922 10.596 1.00 0.00 H new ATOM 71 N PRO A 6 -17.872 2.642 6.187 1.00 0.00 N ATOM 72 CA PRO A 6 -16.526 3.214 6.266 1.00 0.00 C ATOM 73 C PRO A 6 -16.134 3.687 4.860 1.00 0.00 C ATOM 74 O PRO A 6 -15.612 4.771 4.641 1.00 0.00 O ATOM 75 CB PRO A 6 -15.564 2.126 6.703 1.00 0.00 C ATOM 76 CG PRO A 6 -16.407 0.820 6.766 1.00 0.00 C ATOM 77 CD PRO A 6 -17.798 1.163 6.217 1.00 0.00 C ATOM 0 HA PRO A 6 -16.496 4.043 6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.739 2.026 5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.127 2.357 7.674 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.942 0.031 6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.475 0.453 7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -17.938 0.745 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -18.581 0.746 6.850 1.00 0.00 H new ATOM 85 N LEU A 7 -16.386 2.870 3.892 1.00 0.00 N ATOM 86 CA LEU A 7 -16.059 3.196 2.480 1.00 0.00 C ATOM 87 C LEU A 7 -16.521 2.032 1.598 1.00 0.00 C ATOM 88 O LEU A 7 -16.022 0.919 1.683 1.00 0.00 O ATOM 89 CB LEU A 7 -14.554 3.399 2.285 1.00 0.00 C ATOM 90 CG LEU A 7 -13.743 2.244 2.902 1.00 0.00 C ATOM 91 CD1 LEU A 7 -12.800 1.698 1.815 1.00 0.00 C ATOM 92 CD2 LEU A 7 -12.864 2.740 4.036 1.00 0.00 C ATOM 0 H LEU A 7 -16.820 1.956 4.021 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.564 4.123 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.331 3.473 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.251 4.342 2.741 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.437 1.491 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.211 0.877 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.388 1.338 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.132 2.492 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.303 1.904 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.170 3.490 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.488 3.182 4.813 1.00 0.00 H new ATOM 104 N SER A 8 -17.476 2.266 0.741 1.00 0.00 N ATOM 105 CA SER A 8 -18.003 1.193 -0.169 1.00 0.00 C ATOM 106 C SER A 8 -17.358 1.419 -1.540 1.00 0.00 C ATOM 107 O SER A 8 -18.006 1.960 -2.400 1.00 0.00 O ATOM 108 CB SER A 8 -19.510 1.365 -0.250 1.00 0.00 C ATOM 109 OG SER A 8 -20.111 0.425 -1.138 1.00 0.00 O ATOM 0 H SER A 8 -17.927 3.174 0.626 1.00 0.00 H new ATOM 0 HA SER A 8 -17.776 0.187 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 8 -19.941 1.250 0.744 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.741 2.377 -0.583 1.00 0.00 H new ATOM 0 HG SER A 8 -21.080 0.569 -1.160 1.00 0.00 H new ATOM 115 N GLU A 9 -16.117 1.005 -1.702 1.00 0.00 N ATOM 116 CA GLU A 9 -15.441 1.197 -2.997 1.00 0.00 C ATOM 117 C GLU A 9 -14.858 -0.130 -3.538 1.00 0.00 C ATOM 118 O GLU A 9 -14.938 -0.306 -4.726 1.00 0.00 O ATOM 119 CB GLU A 9 -14.270 2.177 -2.933 1.00 0.00 C ATOM 120 CG GLU A 9 -14.627 3.471 -2.203 1.00 0.00 C ATOM 121 CD GLU A 9 -13.956 4.615 -2.983 1.00 0.00 C ATOM 122 OE1 GLU A 9 -12.772 4.506 -3.209 1.00 0.00 O ATOM 123 OE2 GLU A 9 -14.624 5.572 -3.339 1.00 0.00 O ATOM 0 H GLU A 9 -15.558 0.545 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.221 1.592 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.429 1.700 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.943 2.414 -3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.708 3.609 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.273 3.445 -1.172 1.00 0.00 H new ATOM 130 N ASN A 10 -14.334 -0.921 -2.661 1.00 0.00 N ATOM 131 CA ASN A 10 -13.711 -2.242 -2.959 1.00 0.00 C ATOM 132 C ASN A 10 -14.236 -2.798 -4.281 1.00 0.00 C ATOM 133 O ASN A 10 -15.309 -3.348 -4.319 1.00 0.00 O ATOM 134 CB ASN A 10 -13.933 -3.254 -1.824 1.00 0.00 C ATOM 135 CG ASN A 10 -14.664 -2.660 -0.640 1.00 0.00 C ATOM 136 OD1 ASN A 10 -15.761 -2.137 -0.802 1.00 0.00 O ATOM 137 ND2 ASN A 10 -14.136 -2.701 0.551 1.00 0.00 N ATOM 0 H ASN A 10 -14.309 -0.689 -1.668 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.637 -2.080 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.500 -4.102 -2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.968 -3.639 -1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.635 -2.299 1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.224 -3.135 0.690 1.00 0.00 H new ATOM 144 N PRO A 11 -13.500 -2.646 -5.364 1.00 0.00 N ATOM 145 CA PRO A 11 -13.862 -3.058 -6.709 1.00 0.00 C ATOM 146 C PRO A 11 -13.296 -4.382 -7.171 1.00 0.00 C ATOM 147 O PRO A 11 -13.453 -4.634 -8.366 1.00 0.00 O ATOM 148 CB PRO A 11 -13.085 -1.938 -7.446 1.00 0.00 C ATOM 149 CG PRO A 11 -11.716 -1.800 -6.710 1.00 0.00 C ATOM 150 CD PRO A 11 -12.183 -1.950 -5.262 1.00 0.00 C ATOM 0 HA PRO A 11 -14.936 -3.183 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.939 -2.192 -8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.638 -0.999 -7.419 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.005 -2.573 -7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.236 -0.839 -6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.472 -2.530 -4.674 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.283 -0.980 -4.775 1.00 0.00 H new ATOM 158 N PRO A 12 -12.687 -5.196 -6.422 1.00 0.00 N ATOM 159 CA PRO A 12 -12.328 -5.237 -5.037 1.00 0.00 C ATOM 160 C PRO A 12 -10.813 -4.910 -4.997 1.00 0.00 C ATOM 161 O PRO A 12 -10.034 -5.168 -5.870 1.00 0.00 O ATOM 162 CB PRO A 12 -12.461 -6.712 -4.579 1.00 0.00 C ATOM 163 CG PRO A 12 -11.658 -7.402 -5.729 1.00 0.00 C ATOM 164 CD PRO A 12 -12.093 -6.480 -6.900 1.00 0.00 C ATOM 0 HA PRO A 12 -12.932 -4.565 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.024 -6.888 -3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.498 -7.046 -4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.581 -7.390 -5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.946 -8.442 -5.881 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.230 -6.266 -7.530 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.819 -7.004 -7.521 1.00 0.00 H new ATOM 172 N ASN A 13 -10.469 -4.309 -3.923 1.00 0.00 N ATOM 173 CA ASN A 13 -9.076 -3.828 -3.640 1.00 0.00 C ATOM 174 C ASN A 13 -8.525 -2.914 -4.763 1.00 0.00 C ATOM 175 O ASN A 13 -9.198 -2.689 -5.732 1.00 0.00 O ATOM 176 CB ASN A 13 -8.121 -4.942 -3.252 1.00 0.00 C ATOM 177 CG ASN A 13 -8.663 -5.585 -1.948 1.00 0.00 C ATOM 178 OD1 ASN A 13 -9.188 -4.814 -1.155 1.00 0.00 O ATOM 179 ND2 ASN A 13 -8.565 -6.851 -1.709 1.00 0.00 N ATOM 0 H ASN A 13 -11.126 -4.109 -3.168 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.152 -3.201 -2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.054 -5.685 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.116 -4.549 -3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.931 -7.235 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.122 -7.466 -2.391 1.00 0.00 H new ATOM 186 N HIS A 14 -7.342 -2.450 -4.511 1.00 0.00 N ATOM 187 CA HIS A 14 -6.585 -1.501 -5.359 1.00 0.00 C ATOM 188 C HIS A 14 -5.922 -0.461 -4.391 1.00 0.00 C ATOM 189 O HIS A 14 -5.087 0.281 -4.841 1.00 0.00 O ATOM 190 CB HIS A 14 -7.437 -0.683 -6.311 1.00 0.00 C ATOM 191 CG HIS A 14 -8.628 -0.030 -5.628 1.00 0.00 C ATOM 192 ND1 HIS A 14 -9.459 0.849 -6.297 1.00 0.00 N ATOM 193 CD2 HIS A 14 -9.139 -0.115 -4.359 1.00 0.00 C ATOM 194 CE1 HIS A 14 -10.402 1.240 -5.430 1.00 0.00 C ATOM 195 NE2 HIS A 14 -10.270 0.692 -4.223 1.00 0.00 N ATOM 0 H HIS A 14 -6.827 -2.719 -3.673 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.895 -2.097 -5.956 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.820 0.089 -6.770 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.794 -1.326 -7.115 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.723 -0.724 -3.570 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.192 1.931 -5.684 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.854 0.829 -3.398 1.00 0.00 H new ATOM 204 N ILE A 15 -6.298 -0.431 -3.123 1.00 0.00 N ATOM 205 CA ILE A 15 -5.778 0.501 -2.084 1.00 0.00 C ATOM 206 C ILE A 15 -5.230 -0.382 -0.936 1.00 0.00 C ATOM 207 O ILE A 15 -5.938 -1.005 -0.197 1.00 0.00 O ATOM 208 CB ILE A 15 -6.810 1.498 -1.531 1.00 0.00 C ATOM 209 CG1 ILE A 15 -6.759 2.760 -2.382 1.00 0.00 C ATOM 210 CG2 ILE A 15 -6.396 1.904 -0.113 1.00 0.00 C ATOM 211 CD1 ILE A 15 -7.725 3.836 -1.908 1.00 0.00 C ATOM 0 H ILE A 15 -7.000 -1.072 -2.755 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.015 1.128 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.801 1.045 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.745 3.159 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.988 2.504 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.121 2.611 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.361 1.019 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.411 2.370 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.642 4.710 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.744 3.452 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.482 4.118 -0.884 1.00 0.00 H new ATOM 223 N LEU A 16 -3.920 -0.409 -0.823 1.00 0.00 N ATOM 224 CA LEU A 16 -3.238 -1.245 0.208 1.00 0.00 C ATOM 225 C LEU A 16 -2.465 -0.316 1.187 1.00 0.00 C ATOM 226 O LEU A 16 -1.517 0.358 0.855 1.00 0.00 O ATOM 227 CB LEU A 16 -2.297 -2.239 -0.445 1.00 0.00 C ATOM 228 CG LEU A 16 -2.792 -2.596 -1.852 1.00 0.00 C ATOM 229 CD1 LEU A 16 -1.917 -1.853 -2.857 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.633 -4.111 -2.050 1.00 0.00 C ATOM 0 H LEU A 16 -3.287 0.126 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.984 -1.812 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.294 -1.817 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.230 -3.141 0.164 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.837 -2.317 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.246 -2.088 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.000 -0.779 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.879 -2.160 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.980 -4.386 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.583 -4.384 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.223 -4.640 -1.301 1.00 0.00 H new ATOM 242 N PHE A 17 -3.014 -0.331 2.408 1.00 0.00 N ATOM 243 CA PHE A 17 -2.623 0.488 3.541 1.00 0.00 C ATOM 244 C PHE A 17 -2.140 -0.496 4.630 1.00 0.00 C ATOM 245 O PHE A 17 -2.797 -1.466 4.810 1.00 0.00 O ATOM 246 CB PHE A 17 -3.688 1.409 4.104 1.00 0.00 C ATOM 247 CG PHE A 17 -3.270 1.649 5.548 1.00 0.00 C ATOM 248 CD1 PHE A 17 -2.031 2.250 5.898 1.00 0.00 C ATOM 249 CD2 PHE A 17 -4.181 1.244 6.552 1.00 0.00 C ATOM 250 CE1 PHE A 17 -1.729 2.434 7.239 1.00 0.00 C ATOM 251 CE2 PHE A 17 -3.832 1.449 7.900 1.00 0.00 C ATOM 252 CZ PHE A 17 -2.612 2.041 8.248 1.00 0.00 C ATOM 0 H PHE A 17 -3.788 -0.955 2.635 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.855 1.180 3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.738 2.344 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.676 0.952 4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.335 2.559 5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.124 0.787 6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.789 2.892 7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.516 1.145 8.678 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.356 2.192 9.286 1.00 0.00 H new ATOM 262 N LEU A 18 -1.008 -0.185 5.127 1.00 0.00 N ATOM 263 CA LEU A 18 -0.431 -0.986 6.170 1.00 0.00 C ATOM 264 C LEU A 18 0.943 -0.411 6.386 1.00 0.00 C ATOM 265 O LEU A 18 1.293 0.604 5.822 1.00 0.00 O ATOM 266 CB LEU A 18 -0.586 -2.481 6.174 1.00 0.00 C ATOM 267 CG LEU A 18 -0.761 -3.038 7.609 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.232 -2.757 7.992 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.599 -4.542 7.665 1.00 0.00 C ATOM 0 H LEU A 18 -0.448 0.618 4.839 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.056 -0.902 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.449 -2.758 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.288 -2.938 5.711 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.018 -2.579 8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.423 -3.127 8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.418 -1.683 7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.894 -3.262 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.731 -4.884 8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.347 -5.013 7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.398 -4.814 7.317 1.00 0.00 H new ATOM 281 N THR A 19 1.605 -0.986 7.256 1.00 0.00 N ATOM 282 CA THR A 19 2.884 -0.482 7.655 1.00 0.00 C ATOM 283 C THR A 19 3.749 -1.688 7.959 1.00 0.00 C ATOM 284 O THR A 19 3.408 -2.853 7.794 1.00 0.00 O ATOM 285 CB THR A 19 2.677 0.277 8.995 1.00 0.00 C ATOM 286 OG1 THR A 19 3.757 0.115 9.875 1.00 0.00 O ATOM 287 CG2 THR A 19 1.438 -0.335 9.688 1.00 0.00 C ATOM 0 H THR A 19 1.307 -1.832 7.742 1.00 0.00 H new ATOM 0 HA THR A 19 3.327 0.159 6.893 1.00 0.00 H new ATOM 0 HB THR A 19 2.569 1.338 8.769 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.343 0.899 9.822 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.262 0.175 10.635 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.566 -0.217 9.045 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.611 -1.395 9.873 1.00 0.00 H new ATOM 295 N ASN A 20 4.870 -1.373 8.316 1.00 0.00 N ATOM 296 CA ASN A 20 5.966 -2.316 8.743 1.00 0.00 C ATOM 297 C ASN A 20 7.231 -1.875 7.982 1.00 0.00 C ATOM 298 O ASN A 20 7.941 -2.660 7.413 1.00 0.00 O ATOM 299 CB ASN A 20 5.650 -3.775 8.611 1.00 0.00 C ATOM 300 CG ASN A 20 6.694 -4.555 9.453 1.00 0.00 C ATOM 301 OD1 ASN A 20 7.801 -4.131 9.678 1.00 0.00 O ATOM 302 ND2 ASN A 20 6.356 -5.715 9.939 1.00 0.00 N ATOM 0 H ASN A 20 5.164 -0.397 8.354 1.00 0.00 H new ATOM 0 HA ASN A 20 6.111 -2.239 9.821 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.640 -3.982 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.692 -4.084 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.022 -6.247 10.498 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.425 -6.091 9.760 1.00 0.00 H new ATOM 309 N LEU A 21 7.536 -0.614 7.965 1.00 0.00 N ATOM 310 CA LEU A 21 8.743 -0.089 7.239 1.00 0.00 C ATOM 311 C LEU A 21 9.468 0.952 8.119 1.00 0.00 C ATOM 312 O LEU A 21 9.465 2.094 7.746 1.00 0.00 O ATOM 313 CB LEU A 21 8.218 0.527 5.953 1.00 0.00 C ATOM 314 CG LEU A 21 6.691 0.577 5.892 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.198 1.646 4.891 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.205 -0.762 5.360 1.00 0.00 C ATOM 0 H LEU A 21 6.988 0.106 8.436 1.00 0.00 H new ATOM 0 HA LEU A 21 9.470 -0.871 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.613 1.538 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.591 -0.046 5.104 1.00 0.00 H new ATOM 0 HG LEU A 21 6.316 0.808 6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.108 1.653 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.563 2.627 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.575 1.413 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.116 -0.758 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.618 -0.930 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.531 -1.559 6.028 1.00 0.00 H new ATOM 328 N PRO A 22 10.002 0.430 9.175 1.00 0.00 N ATOM 329 CA PRO A 22 10.766 1.095 10.226 1.00 0.00 C ATOM 330 C PRO A 22 11.072 2.564 9.946 1.00 0.00 C ATOM 331 O PRO A 22 10.201 3.424 9.884 1.00 0.00 O ATOM 332 CB PRO A 22 12.016 0.189 10.113 1.00 0.00 C ATOM 333 CG PRO A 22 11.369 -1.209 10.220 1.00 0.00 C ATOM 334 CD PRO A 22 9.974 -0.991 9.581 1.00 0.00 C ATOM 0 HA PRO A 22 10.283 1.173 11.200 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.544 0.329 9.170 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.735 0.374 10.911 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.946 -1.964 9.685 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.292 -1.541 11.255 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.816 -1.650 8.727 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.171 -1.190 10.291 1.00 0.00 H new ATOM 342 N GLU A 23 12.309 2.969 9.767 1.00 0.00 N ATOM 343 CA GLU A 23 12.671 4.374 9.486 1.00 0.00 C ATOM 344 C GLU A 23 13.770 4.437 8.401 1.00 0.00 C ATOM 345 O GLU A 23 14.089 5.514 7.965 1.00 0.00 O ATOM 346 CB GLU A 23 13.151 5.124 10.726 1.00 0.00 C ATOM 347 CG GLU A 23 14.504 4.534 11.150 1.00 0.00 C ATOM 348 CD GLU A 23 15.005 5.269 12.389 1.00 0.00 C ATOM 349 OE1 GLU A 23 15.227 6.459 12.236 1.00 0.00 O ATOM 350 OE2 GLU A 23 15.133 4.612 13.398 1.00 0.00 O ATOM 0 H GLU A 23 13.112 2.341 9.809 1.00 0.00 H new ATOM 0 HA GLU A 23 11.761 4.862 9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.251 6.188 10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.425 5.028 11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.400 3.470 11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.226 4.629 10.339 1.00 0.00 H new ATOM 357 N GLU A 24 14.327 3.330 7.985 1.00 0.00 N ATOM 358 CA GLU A 24 15.387 3.447 6.937 1.00 0.00 C ATOM 359 C GLU A 24 14.680 3.540 5.581 1.00 0.00 C ATOM 360 O GLU A 24 15.236 4.014 4.603 1.00 0.00 O ATOM 361 CB GLU A 24 16.339 2.257 7.013 1.00 0.00 C ATOM 362 CG GLU A 24 17.267 2.482 8.205 1.00 0.00 C ATOM 363 CD GLU A 24 18.322 3.553 7.918 1.00 0.00 C ATOM 364 OE1 GLU A 24 19.306 3.263 7.237 1.00 0.00 O ATOM 365 OE2 GLU A 24 18.177 4.686 8.364 1.00 0.00 O ATOM 0 H GLU A 24 14.108 2.387 8.307 1.00 0.00 H new ATOM 0 HA GLU A 24 15.997 4.338 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.782 1.328 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.914 2.168 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.677 2.778 9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.762 1.545 8.461 1.00 0.00 H new ATOM 372 N THR A 25 13.460 3.080 5.565 1.00 0.00 N ATOM 373 CA THR A 25 12.606 3.084 4.351 1.00 0.00 C ATOM 374 C THR A 25 12.490 4.541 3.881 1.00 0.00 C ATOM 375 O THR A 25 12.593 5.418 4.705 1.00 0.00 O ATOM 376 CB THR A 25 11.198 2.593 4.691 1.00 0.00 C ATOM 377 OG1 THR A 25 10.751 3.338 5.818 1.00 0.00 O ATOM 378 CG2 THR A 25 11.183 1.106 5.086 1.00 0.00 C ATOM 0 H THR A 25 13.003 2.683 6.386 1.00 0.00 H new ATOM 0 HA THR A 25 13.042 2.436 3.590 1.00 0.00 H new ATOM 0 HB THR A 25 10.564 2.722 3.814 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.773 3.400 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.163 0.802 5.319 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.561 0.506 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.815 0.956 5.961 1.00 0.00 H new ATOM 386 N ASN A 26 12.283 4.765 2.605 1.00 0.00 N ATOM 387 CA ASN A 26 12.158 6.182 2.117 1.00 0.00 C ATOM 388 C ASN A 26 10.839 6.286 1.358 1.00 0.00 C ATOM 389 O ASN A 26 10.368 5.419 0.649 1.00 0.00 O ATOM 390 CB ASN A 26 13.399 6.484 1.296 1.00 0.00 C ATOM 391 CG ASN A 26 13.155 7.375 0.098 1.00 0.00 C ATOM 392 OD1 ASN A 26 12.203 8.081 -0.093 1.00 0.00 O ATOM 393 ND2 ASN A 26 14.078 7.368 -0.843 1.00 0.00 N ATOM 0 H ASN A 26 12.196 4.044 1.889 1.00 0.00 H new ATOM 0 HA ASN A 26 12.118 6.930 2.908 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.140 6.957 1.941 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.830 5.544 0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.960 7.943 -1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.910 6.788 -0.737 1.00 0.00 H new ATOM 400 N GLU A 27 10.167 7.399 1.492 1.00 0.00 N ATOM 401 CA GLU A 27 8.871 7.715 0.860 1.00 0.00 C ATOM 402 C GLU A 27 8.966 7.749 -0.687 1.00 0.00 C ATOM 403 O GLU A 27 8.148 7.214 -1.395 1.00 0.00 O ATOM 404 CB GLU A 27 8.362 9.119 1.249 1.00 0.00 C ATOM 405 CG GLU A 27 8.807 9.529 2.635 1.00 0.00 C ATOM 406 CD GLU A 27 10.104 10.366 2.588 1.00 0.00 C ATOM 407 OE1 GLU A 27 10.038 11.554 2.377 1.00 0.00 O ATOM 408 OE2 GLU A 27 11.179 9.800 2.768 1.00 0.00 O ATOM 0 H GLU A 27 10.510 8.164 2.072 1.00 0.00 H new ATOM 0 HA GLU A 27 8.202 6.928 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.724 9.848 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.273 9.134 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.017 10.106 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.968 8.640 3.244 1.00 0.00 H new ATOM 415 N LEU A 28 9.996 8.385 -1.172 1.00 0.00 N ATOM 416 CA LEU A 28 10.273 8.524 -2.644 1.00 0.00 C ATOM 417 C LEU A 28 10.762 7.138 -3.143 1.00 0.00 C ATOM 418 O LEU A 28 10.671 6.769 -4.287 1.00 0.00 O ATOM 419 CB LEU A 28 11.388 9.542 -2.831 1.00 0.00 C ATOM 420 CG LEU A 28 12.155 9.358 -4.137 1.00 0.00 C ATOM 421 CD1 LEU A 28 11.314 9.852 -5.312 1.00 0.00 C ATOM 422 CD2 LEU A 28 13.477 10.150 -4.034 1.00 0.00 C ATOM 0 H LEU A 28 10.695 8.838 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 28 9.388 8.848 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.964 10.546 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.083 9.468 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 28 12.373 8.303 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.870 9.717 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.385 9.283 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.086 10.909 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.044 10.034 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.257 11.206 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.064 9.771 -3.198 1.00 0.00 H new ATOM 434 N MET A 29 11.284 6.383 -2.194 1.00 0.00 N ATOM 435 CA MET A 29 11.786 4.999 -2.539 1.00 0.00 C ATOM 436 C MET A 29 10.579 4.109 -2.829 1.00 0.00 C ATOM 437 O MET A 29 10.384 3.496 -3.876 1.00 0.00 O ATOM 438 CB MET A 29 12.491 4.450 -1.305 1.00 0.00 C ATOM 439 CG MET A 29 13.501 3.359 -1.704 1.00 0.00 C ATOM 440 SD MET A 29 13.278 1.934 -0.642 1.00 0.00 S ATOM 441 CE MET A 29 14.443 0.845 -1.527 1.00 0.00 C ATOM 0 H MET A 29 11.384 6.655 -1.216 1.00 0.00 H new ATOM 0 HA MET A 29 12.455 5.027 -3.399 1.00 0.00 H new ATOM 0 HB2 MET A 29 13.005 5.257 -0.783 1.00 0.00 H new ATOM 0 HB3 MET A 29 11.757 4.039 -0.612 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.357 3.077 -2.747 1.00 0.00 H new ATOM 0 HG3 MET A 29 14.519 3.739 -1.615 1.00 0.00 H new ATOM 0 HE1 MET A 29 14.476 -0.128 -1.037 1.00 0.00 H new ATOM 0 HE2 MET A 29 14.113 0.721 -2.558 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.438 1.291 -1.516 1.00 0.00 H new ATOM 451 N LEU A 30 9.725 4.058 -1.831 1.00 0.00 N ATOM 452 CA LEU A 30 8.472 3.257 -1.913 1.00 0.00 C ATOM 453 C LEU A 30 7.574 3.904 -2.963 1.00 0.00 C ATOM 454 O LEU A 30 6.742 3.308 -3.594 1.00 0.00 O ATOM 455 CB LEU A 30 7.793 3.180 -0.544 1.00 0.00 C ATOM 456 CG LEU A 30 8.384 2.006 0.232 1.00 0.00 C ATOM 457 CD1 LEU A 30 8.645 2.355 1.700 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.401 0.822 0.134 1.00 0.00 C ATOM 0 H LEU A 30 9.853 4.551 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 30 8.687 2.230 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.944 4.110 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.717 3.051 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 30 9.349 1.747 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.065 1.489 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.348 3.186 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.708 2.639 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.802 -0.030 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.441 1.110 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.264 0.549 -0.912 1.00 0.00 H new ATOM 470 N SER A 31 7.752 5.195 -3.171 1.00 0.00 N ATOM 471 CA SER A 31 6.967 5.967 -4.169 1.00 0.00 C ATOM 472 C SER A 31 7.427 5.490 -5.562 1.00 0.00 C ATOM 473 O SER A 31 6.629 5.249 -6.430 1.00 0.00 O ATOM 474 CB SER A 31 7.327 7.452 -4.092 1.00 0.00 C ATOM 475 OG SER A 31 6.790 8.082 -5.243 1.00 0.00 O ATOM 0 H SER A 31 8.438 5.755 -2.664 1.00 0.00 H new ATOM 0 HA SER A 31 5.902 5.825 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.919 7.899 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.408 7.583 -4.053 1.00 0.00 H new ATOM 0 HG SER A 31 7.003 9.038 -5.222 1.00 0.00 H new ATOM 481 N MET A 32 8.711 5.353 -5.766 1.00 0.00 N ATOM 482 CA MET A 32 9.232 4.890 -7.096 1.00 0.00 C ATOM 483 C MET A 32 8.943 3.412 -7.306 1.00 0.00 C ATOM 484 O MET A 32 8.712 2.892 -8.396 1.00 0.00 O ATOM 485 CB MET A 32 10.768 5.041 -7.026 1.00 0.00 C ATOM 486 CG MET A 32 11.175 6.340 -7.731 1.00 0.00 C ATOM 487 SD MET A 32 12.977 6.383 -7.877 1.00 0.00 S ATOM 488 CE MET A 32 13.068 6.667 -9.674 1.00 0.00 C ATOM 0 H MET A 32 9.429 5.542 -5.067 1.00 0.00 H new ATOM 0 HA MET A 32 8.769 5.463 -7.899 1.00 0.00 H new ATOM 0 HB2 MET A 32 11.098 5.057 -5.987 1.00 0.00 H new ATOM 0 HB3 MET A 32 11.252 4.188 -7.501 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.715 6.394 -8.718 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.821 7.203 -7.167 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.112 6.727 -9.980 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.583 5.843 -10.198 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.563 7.601 -9.921 1.00 0.00 H new ATOM 498 N LEU A 33 8.946 2.685 -6.201 1.00 0.00 N ATOM 499 CA LEU A 33 8.705 1.194 -6.243 1.00 0.00 C ATOM 500 C LEU A 33 7.223 0.998 -6.504 1.00 0.00 C ATOM 501 O LEU A 33 6.777 0.099 -7.160 1.00 0.00 O ATOM 502 CB LEU A 33 9.010 0.610 -4.838 1.00 0.00 C ATOM 503 CG LEU A 33 10.449 0.135 -4.766 1.00 0.00 C ATOM 504 CD1 LEU A 33 10.967 0.169 -3.316 1.00 0.00 C ATOM 505 CD2 LEU A 33 10.598 -1.286 -5.310 1.00 0.00 C ATOM 0 H LEU A 33 9.106 3.063 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 33 9.323 0.714 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.832 1.368 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.335 -0.220 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 33 11.038 0.815 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.001 -0.176 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.915 1.189 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.352 -0.482 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.642 -1.594 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.981 -1.967 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.278 -1.312 -6.352 1.00 0.00 H new ATOM 517 N PHE A 34 6.470 1.911 -5.936 1.00 0.00 N ATOM 518 CA PHE A 34 4.983 1.801 -6.174 1.00 0.00 C ATOM 519 C PHE A 34 4.682 2.393 -7.562 1.00 0.00 C ATOM 520 O PHE A 34 3.720 2.060 -8.202 1.00 0.00 O ATOM 521 CB PHE A 34 4.184 2.459 -5.070 1.00 0.00 C ATOM 522 CG PHE A 34 3.957 1.429 -3.973 1.00 0.00 C ATOM 523 CD1 PHE A 34 3.572 0.108 -4.260 1.00 0.00 C ATOM 524 CD2 PHE A 34 4.148 1.854 -2.669 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.374 -0.813 -3.242 1.00 0.00 C ATOM 526 CE2 PHE A 34 3.944 0.918 -1.637 1.00 0.00 C ATOM 527 CZ PHE A 34 3.566 -0.393 -1.928 1.00 0.00 C ATOM 0 H PHE A 34 6.788 2.685 -5.352 1.00 0.00 H new ATOM 0 HA PHE A 34 4.677 0.755 -6.157 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.719 3.323 -4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.231 2.822 -5.454 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.428 -0.194 -5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.444 2.870 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.079 -1.828 -3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.082 1.218 -0.609 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.420 -1.095 -1.120 1.00 0.00 H new ATOM 537 N ASN A 35 5.568 3.282 -7.951 1.00 0.00 N ATOM 538 CA ASN A 35 5.472 3.987 -9.250 1.00 0.00 C ATOM 539 C ASN A 35 5.675 2.954 -10.380 1.00 0.00 C ATOM 540 O ASN A 35 4.962 3.045 -11.345 1.00 0.00 O ATOM 541 CB ASN A 35 6.483 5.118 -9.396 1.00 0.00 C ATOM 542 CG ASN A 35 5.762 6.466 -9.251 1.00 0.00 C ATOM 543 OD1 ASN A 35 4.968 6.836 -10.106 1.00 0.00 O ATOM 544 ND2 ASN A 35 6.024 7.190 -8.194 1.00 0.00 N ATOM 0 H ASN A 35 6.379 3.550 -7.393 1.00 0.00 H new ATOM 0 HA ASN A 35 4.486 4.449 -9.307 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.261 5.026 -8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.975 5.058 -10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.562 8.090 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.691 6.855 -7.499 1.00 0.00 H new ATOM 551 N GLN A 36 6.607 2.074 -10.180 1.00 0.00 N ATOM 552 CA GLN A 36 6.967 0.981 -11.104 1.00 0.00 C ATOM 553 C GLN A 36 5.800 0.582 -12.046 1.00 0.00 C ATOM 554 O GLN A 36 5.970 0.311 -13.213 1.00 0.00 O ATOM 555 CB GLN A 36 7.260 -0.303 -10.294 1.00 0.00 C ATOM 556 CG GLN A 36 8.752 -0.440 -10.069 1.00 0.00 C ATOM 557 CD GLN A 36 9.040 -1.841 -9.522 1.00 0.00 C ATOM 558 OE1 GLN A 36 9.780 -2.560 -10.149 1.00 0.00 O ATOM 559 NE2 GLN A 36 8.498 -2.250 -8.400 1.00 0.00 N ATOM 0 H GLN A 36 7.179 2.077 -9.336 1.00 0.00 H new ATOM 0 HA GLN A 36 7.819 1.347 -11.677 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.741 -0.266 -9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.882 -1.175 -10.828 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.291 -0.281 -11.003 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.099 0.318 -9.367 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.875 -1.633 -7.880 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.700 -3.186 -8.047 1.00 0.00 H new ATOM 568 N PHE A 37 4.635 0.558 -11.442 1.00 0.00 N ATOM 569 CA PHE A 37 3.368 0.167 -12.126 1.00 0.00 C ATOM 570 C PHE A 37 2.646 1.258 -12.922 1.00 0.00 C ATOM 571 O PHE A 37 2.387 2.362 -12.470 1.00 0.00 O ATOM 572 CB PHE A 37 2.403 -0.430 -11.051 1.00 0.00 C ATOM 573 CG PHE A 37 3.055 -1.760 -10.655 1.00 0.00 C ATOM 574 CD1 PHE A 37 3.978 -1.781 -9.615 1.00 0.00 C ATOM 575 CD2 PHE A 37 2.742 -2.958 -11.320 1.00 0.00 C ATOM 576 CE1 PHE A 37 4.623 -2.964 -9.200 1.00 0.00 C ATOM 577 CE2 PHE A 37 3.386 -4.148 -10.906 1.00 0.00 C ATOM 578 CZ PHE A 37 4.318 -4.151 -9.858 1.00 0.00 C ATOM 0 H PHE A 37 4.511 0.805 -10.460 1.00 0.00 H new ATOM 0 HA PHE A 37 3.660 -0.555 -12.889 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.303 0.235 -10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.402 -0.582 -11.455 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.209 -0.857 -9.106 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.026 -2.970 -12.129 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.337 -2.949 -8.390 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.154 -5.075 -11.409 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.798 -5.072 -9.563 1.00 0.00 H new ATOM 588 N PRO A 38 2.305 0.880 -14.157 1.00 0.00 N ATOM 589 CA PRO A 38 1.571 1.742 -15.141 1.00 0.00 C ATOM 590 C PRO A 38 0.105 1.833 -14.627 1.00 0.00 C ATOM 591 O PRO A 38 -0.794 1.143 -15.036 1.00 0.00 O ATOM 592 CB PRO A 38 1.600 0.978 -16.446 1.00 0.00 C ATOM 593 CG PRO A 38 1.533 -0.497 -15.941 1.00 0.00 C ATOM 594 CD PRO A 38 2.546 -0.415 -14.794 1.00 0.00 C ATOM 0 HA PRO A 38 1.994 2.739 -15.262 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.757 1.231 -17.089 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.507 1.176 -17.018 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.537 -0.779 -15.601 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.824 -1.216 -16.707 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.407 -1.233 -14.087 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.568 -0.486 -15.166 1.00 0.00 H new ATOM 602 N GLY A 39 -0.026 2.749 -13.684 1.00 0.00 N ATOM 603 CA GLY A 39 -1.359 2.945 -13.066 1.00 0.00 C ATOM 604 C GLY A 39 -1.144 3.526 -11.654 1.00 0.00 C ATOM 605 O GLY A 39 -2.098 4.123 -11.187 1.00 0.00 O ATOM 0 H GLY A 39 0.720 3.349 -13.332 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.964 3.622 -13.669 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.898 1.999 -13.012 1.00 0.00 H new ATOM 609 N PHE A 40 -0.010 3.342 -11.078 1.00 0.00 N ATOM 610 CA PHE A 40 0.379 3.840 -9.738 1.00 0.00 C ATOM 611 C PHE A 40 -0.433 5.085 -9.403 1.00 0.00 C ATOM 612 O PHE A 40 -0.403 5.979 -10.233 1.00 0.00 O ATOM 613 CB PHE A 40 1.847 4.308 -9.860 1.00 0.00 C ATOM 614 CG PHE A 40 2.135 5.509 -8.988 1.00 0.00 C ATOM 615 CD1 PHE A 40 2.357 5.255 -7.619 1.00 0.00 C ATOM 616 CD2 PHE A 40 2.177 6.813 -9.519 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.620 6.360 -6.808 1.00 0.00 C ATOM 618 CE2 PHE A 40 2.441 7.883 -8.665 1.00 0.00 C ATOM 619 CZ PHE A 40 2.666 7.672 -7.300 1.00 0.00 C ATOM 0 H PHE A 40 0.738 2.814 -11.526 1.00 0.00 H new ATOM 0 HA PHE A 40 0.227 3.067 -8.985 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.512 3.491 -9.582 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.063 4.555 -10.899 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.325 4.253 -7.217 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.007 6.981 -10.572 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.796 6.197 -5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.472 8.887 -9.062 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.871 8.502 -6.640 1.00 0.00 H new ATOM 629 N LYS A 41 -1.125 5.154 -8.295 1.00 0.00 N ATOM 630 CA LYS A 41 -1.925 6.374 -8.061 1.00 0.00 C ATOM 631 C LYS A 41 -1.560 7.174 -6.828 1.00 0.00 C ATOM 632 O LYS A 41 -1.334 8.376 -6.944 1.00 0.00 O ATOM 633 CB LYS A 41 -3.413 5.973 -7.935 1.00 0.00 C ATOM 634 CG LYS A 41 -4.302 6.805 -8.831 1.00 0.00 C ATOM 635 CD LYS A 41 -5.223 7.621 -7.910 1.00 0.00 C ATOM 636 CE LYS A 41 -5.700 8.885 -8.602 1.00 0.00 C ATOM 637 NZ LYS A 41 -6.676 9.647 -7.756 1.00 0.00 N ATOM 0 H LYS A 41 -1.167 4.439 -7.568 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.717 7.019 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.527 4.919 -8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.733 6.088 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.706 7.463 -9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.886 6.168 -9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.081 7.015 -7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.691 7.881 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.844 9.520 -8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.167 8.625 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.979 10.504 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.504 9.050 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.222 9.917 -6.860 1.00 0.00 H new ATOM 651 N GLU A 42 -1.503 6.590 -5.669 1.00 0.00 N ATOM 652 CA GLU A 42 -1.180 7.368 -4.472 1.00 0.00 C ATOM 653 C GLU A 42 -0.220 6.546 -3.599 1.00 0.00 C ATOM 654 O GLU A 42 -0.227 5.343 -3.579 1.00 0.00 O ATOM 655 CB GLU A 42 -2.461 7.756 -3.719 1.00 0.00 C ATOM 656 CG GLU A 42 -2.122 8.839 -2.700 1.00 0.00 C ATOM 657 CD GLU A 42 -3.402 9.505 -2.175 1.00 0.00 C ATOM 658 OE1 GLU A 42 -4.223 8.732 -1.705 1.00 0.00 O ATOM 659 OE2 GLU A 42 -3.520 10.719 -2.255 1.00 0.00 O ATOM 0 H GLU A 42 -1.670 5.597 -5.509 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.688 8.300 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.215 8.118 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.883 6.885 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.565 8.404 -1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.477 9.589 -3.159 1.00 0.00 H new ATOM 666 N VAL A 43 0.584 7.300 -2.889 1.00 0.00 N ATOM 667 CA VAL A 43 1.608 6.795 -1.972 1.00 0.00 C ATOM 668 C VAL A 43 1.655 7.752 -0.772 1.00 0.00 C ATOM 669 O VAL A 43 1.900 8.914 -0.939 1.00 0.00 O ATOM 670 CB VAL A 43 2.983 6.660 -2.624 1.00 0.00 C ATOM 671 CG1 VAL A 43 3.037 5.398 -3.511 1.00 0.00 C ATOM 672 CG2 VAL A 43 3.284 7.915 -3.416 1.00 0.00 C ATOM 0 H VAL A 43 0.552 8.319 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 43 1.342 5.785 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 43 3.747 6.546 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.023 5.317 -3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.846 4.516 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.280 5.469 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.264 7.824 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.525 8.049 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.279 8.777 -2.748 1.00 0.00 H new ATOM 682 N ARG A 44 1.359 7.155 0.329 1.00 0.00 N ATOM 683 CA ARG A 44 1.225 7.859 1.644 1.00 0.00 C ATOM 684 C ARG A 44 2.261 7.245 2.604 1.00 0.00 C ATOM 685 O ARG A 44 1.994 6.242 3.202 1.00 0.00 O ATOM 686 CB ARG A 44 -0.180 7.781 2.205 1.00 0.00 C ATOM 687 CG ARG A 44 -0.701 9.207 2.480 1.00 0.00 C ATOM 688 CD ARG A 44 -0.910 9.393 3.984 1.00 0.00 C ATOM 689 NE ARG A 44 0.400 9.621 4.626 1.00 0.00 N ATOM 690 CZ ARG A 44 0.569 10.657 5.377 1.00 0.00 C ATOM 691 NH1 ARG A 44 0.378 11.865 4.910 1.00 0.00 N ATOM 692 NH2 ARG A 44 0.927 10.523 6.616 1.00 0.00 N ATOM 0 H ARG A 44 1.193 6.150 0.387 1.00 0.00 H new ATOM 0 HA ARG A 44 1.416 8.924 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.837 7.271 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.184 7.196 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.011 9.944 2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.638 9.372 1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.573 10.238 4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.390 8.512 4.409 1.00 0.00 H new ATOM 0 HE ARG A 44 1.166 8.964 4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.092 11.997 3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.516 12.674 5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.078 9.592 7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.058 11.348 7.201 1.00 0.00 H new ATOM 706 N LEU A 45 3.358 7.923 2.654 1.00 0.00 N ATOM 707 CA LEU A 45 4.516 7.584 3.517 1.00 0.00 C ATOM 708 C LEU A 45 5.081 8.919 4.039 1.00 0.00 C ATOM 709 O LEU A 45 5.915 9.473 3.363 1.00 0.00 O ATOM 710 CB LEU A 45 5.580 6.919 2.632 1.00 0.00 C ATOM 711 CG LEU A 45 5.463 5.388 2.822 1.00 0.00 C ATOM 712 CD1 LEU A 45 6.291 4.736 1.712 1.00 0.00 C ATOM 713 CD2 LEU A 45 5.925 4.958 4.202 1.00 0.00 C ATOM 0 H LEU A 45 3.511 8.760 2.091 1.00 0.00 H new ATOM 0 HA LEU A 45 4.237 6.922 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.429 7.187 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.577 7.263 2.909 1.00 0.00 H new ATOM 0 HG LEU A 45 4.422 5.071 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.237 3.651 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.897 5.035 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.329 5.057 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.828 3.877 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.968 5.242 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.311 5.446 4.959 1.00 0.00 H new ATOM 725 N VAL A 46 4.644 9.428 5.145 1.00 0.00 N ATOM 726 CA VAL A 46 5.170 10.767 5.596 1.00 0.00 C ATOM 727 C VAL A 46 6.252 10.652 6.659 1.00 0.00 C ATOM 728 O VAL A 46 6.026 9.929 7.624 1.00 0.00 O ATOM 729 CB VAL A 46 4.002 11.627 6.179 1.00 0.00 C ATOM 730 CG1 VAL A 46 4.391 12.362 7.474 1.00 0.00 C ATOM 731 CG2 VAL A 46 3.577 12.702 5.179 1.00 0.00 C ATOM 0 H VAL A 46 3.955 8.995 5.760 1.00 0.00 H new ATOM 0 HA VAL A 46 5.608 11.238 4.716 1.00 0.00 H new ATOM 0 HB VAL A 46 3.196 10.923 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.541 12.943 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.679 11.634 8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.229 13.030 7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.763 13.291 5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.423 13.354 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.241 12.228 4.257 1.00 0.00 H new ATOM 741 N PRO A 47 7.318 11.345 6.424 1.00 0.00 N ATOM 742 CA PRO A 47 8.481 11.418 7.310 1.00 0.00 C ATOM 743 C PRO A 47 7.961 11.651 8.745 1.00 0.00 C ATOM 744 O PRO A 47 6.841 11.999 9.016 1.00 0.00 O ATOM 745 CB PRO A 47 9.461 12.468 6.835 1.00 0.00 C ATOM 746 CG PRO A 47 8.899 12.784 5.408 1.00 0.00 C ATOM 747 CD PRO A 47 7.490 12.151 5.219 1.00 0.00 C ATOM 0 HA PRO A 47 9.047 10.487 7.298 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.467 13.347 7.479 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.483 12.091 6.801 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.840 13.863 5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.581 12.399 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.716 12.913 5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.441 11.541 4.317 1.00 0.00 H new ATOM 755 N GLY A 48 8.865 11.394 9.668 1.00 0.00 N ATOM 756 CA GLY A 48 8.423 11.487 11.103 1.00 0.00 C ATOM 757 C GLY A 48 7.988 10.049 11.487 1.00 0.00 C ATOM 758 O GLY A 48 7.854 9.733 12.649 1.00 0.00 O ATOM 0 H GLY A 48 9.839 11.137 9.505 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.233 11.838 11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.599 12.191 11.217 1.00 0.00 H new ATOM 762 N ARG A 49 7.796 9.257 10.472 1.00 0.00 N ATOM 763 CA ARG A 49 7.397 7.842 10.554 1.00 0.00 C ATOM 764 C ARG A 49 8.208 7.126 9.437 1.00 0.00 C ATOM 765 O ARG A 49 9.073 6.358 9.748 1.00 0.00 O ATOM 766 CB ARG A 49 5.888 7.629 10.279 1.00 0.00 C ATOM 767 CG ARG A 49 5.025 8.611 11.062 1.00 0.00 C ATOM 768 CD ARG A 49 3.993 9.218 10.082 1.00 0.00 C ATOM 769 NE ARG A 49 3.727 10.643 10.397 1.00 0.00 N ATOM 770 CZ ARG A 49 2.527 11.052 10.740 1.00 0.00 C ATOM 771 NH1 ARG A 49 1.903 10.476 11.725 1.00 0.00 N ATOM 772 NH2 ARG A 49 1.998 12.029 10.078 1.00 0.00 N ATOM 0 H ARG A 49 7.914 9.575 9.510 1.00 0.00 H new ATOM 0 HA ARG A 49 7.589 7.460 11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.693 7.744 9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.611 6.609 10.545 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.519 8.104 11.884 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.641 9.395 11.502 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.363 9.132 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.063 8.652 10.133 1.00 0.00 H new ATOM 0 HE ARG A 49 4.490 11.318 10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.346 9.708 12.230 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.971 10.792 11.993 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.512 12.462 9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.067 12.366 10.323 1.00 0.00 H new ATOM 786 N HIS A 50 7.814 7.436 8.226 1.00 0.00 N ATOM 787 CA HIS A 50 8.417 6.744 7.001 1.00 0.00 C ATOM 788 C HIS A 50 8.022 5.252 7.223 1.00 0.00 C ATOM 789 O HIS A 50 8.605 4.370 6.654 1.00 0.00 O ATOM 790 CB HIS A 50 9.929 6.743 6.925 1.00 0.00 C ATOM 791 CG HIS A 50 10.590 8.047 7.251 1.00 0.00 C ATOM 792 ND1 HIS A 50 10.983 8.439 8.510 1.00 0.00 N ATOM 793 CD2 HIS A 50 10.945 9.074 6.417 1.00 0.00 C ATOM 794 CE1 HIS A 50 11.548 9.641 8.423 1.00 0.00 C ATOM 795 NE2 HIS A 50 11.545 10.069 7.156 1.00 0.00 N ATOM 0 H HIS A 50 7.102 8.135 8.014 1.00 0.00 H new ATOM 0 HA HIS A 50 8.064 7.252 6.104 1.00 0.00 H new ATOM 0 HB2 HIS A 50 10.310 5.982 7.606 1.00 0.00 H new ATOM 0 HB3 HIS A 50 10.225 6.447 5.919 1.00 0.00 H new ATOM 0 HD1 HIS A 50 10.862 7.899 9.367 1.00 0.00 H new ATOM 0 HD2 HIS A 50 10.781 9.099 5.350 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.952 10.193 9.258 1.00 0.00 H new ATOM 804 N ASP A 51 7.051 5.057 8.098 1.00 0.00 N ATOM 805 CA ASP A 51 6.643 3.685 8.494 1.00 0.00 C ATOM 806 C ASP A 51 5.189 3.319 8.320 1.00 0.00 C ATOM 807 O ASP A 51 4.743 2.313 8.818 1.00 0.00 O ATOM 808 CB ASP A 51 6.945 3.563 10.005 1.00 0.00 C ATOM 809 CG ASP A 51 7.456 2.180 10.353 1.00 0.00 C ATOM 810 OD1 ASP A 51 7.151 1.262 9.627 1.00 0.00 O ATOM 811 OD2 ASP A 51 8.143 2.073 11.348 1.00 0.00 O ATOM 0 H ASP A 51 6.527 5.806 8.551 1.00 0.00 H new ATOM 0 HA ASP A 51 7.191 3.015 7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.686 4.310 10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.042 3.774 10.577 1.00 0.00 H new ATOM 816 N ILE A 52 4.367 4.068 7.609 1.00 0.00 N ATOM 817 CA ILE A 52 2.950 3.752 7.362 1.00 0.00 C ATOM 818 C ILE A 52 2.770 4.009 5.848 1.00 0.00 C ATOM 819 O ILE A 52 2.944 5.108 5.399 1.00 0.00 O ATOM 820 CB ILE A 52 1.961 4.534 8.194 1.00 0.00 C ATOM 821 CG1 ILE A 52 2.163 6.049 8.098 1.00 0.00 C ATOM 822 CG2 ILE A 52 2.059 4.107 9.676 1.00 0.00 C ATOM 823 CD1 ILE A 52 0.917 6.633 7.417 1.00 0.00 C ATOM 0 H ILE A 52 4.663 4.940 7.170 1.00 0.00 H new ATOM 0 HA ILE A 52 2.732 2.726 7.660 1.00 0.00 H new ATOM 0 HB ILE A 52 0.973 4.307 7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.298 6.482 9.089 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.060 6.282 7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.342 4.677 10.267 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.838 3.043 9.764 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.067 4.299 10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.023 7.714 7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.808 6.198 6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.034 6.402 8.013 1.00 0.00 H new ATOM 835 N ALA A 53 2.467 2.948 5.139 1.00 0.00 N ATOM 836 CA ALA A 53 2.361 2.987 3.673 1.00 0.00 C ATOM 837 C ALA A 53 0.907 2.790 3.187 1.00 0.00 C ATOM 838 O ALA A 53 0.353 1.735 3.403 1.00 0.00 O ATOM 839 CB ALA A 53 3.165 1.862 3.011 1.00 0.00 C ATOM 0 H ALA A 53 2.285 2.030 5.545 1.00 0.00 H new ATOM 0 HA ALA A 53 2.742 3.970 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.059 1.928 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.217 1.960 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.791 0.897 3.354 1.00 0.00 H new ATOM 845 N PHE A 54 0.451 3.843 2.586 1.00 0.00 N ATOM 846 CA PHE A 54 -0.896 3.934 1.911 1.00 0.00 C ATOM 847 C PHE A 54 -0.706 4.052 0.374 1.00 0.00 C ATOM 848 O PHE A 54 -0.308 5.055 -0.161 1.00 0.00 O ATOM 849 CB PHE A 54 -1.752 5.086 2.410 1.00 0.00 C ATOM 850 CG PHE A 54 -3.087 4.623 2.993 1.00 0.00 C ATOM 851 CD1 PHE A 54 -4.132 4.222 2.130 1.00 0.00 C ATOM 852 CD2 PHE A 54 -3.255 4.603 4.381 1.00 0.00 C ATOM 853 CE1 PHE A 54 -5.363 3.795 2.679 1.00 0.00 C ATOM 854 CE2 PHE A 54 -4.464 4.184 4.922 1.00 0.00 C ATOM 855 CZ PHE A 54 -5.507 3.782 4.078 1.00 0.00 C ATOM 0 H PHE A 54 0.985 4.710 2.525 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.430 3.018 2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.201 5.639 3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.940 5.776 1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.991 4.242 1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.449 4.912 5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.175 3.486 2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.600 4.168 5.993 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.441 3.455 4.510 1.00 0.00 H new ATOM 865 N VAL A 55 -0.988 2.910 -0.258 1.00 0.00 N ATOM 866 CA VAL A 55 -0.798 2.689 -1.697 1.00 0.00 C ATOM 867 C VAL A 55 -2.072 2.419 -2.489 1.00 0.00 C ATOM 868 O VAL A 55 -2.732 1.406 -2.532 1.00 0.00 O ATOM 869 CB VAL A 55 0.072 1.405 -1.820 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.645 1.315 -3.207 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.156 1.465 -0.729 1.00 0.00 C ATOM 0 H VAL A 55 -1.363 2.094 0.226 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.363 3.601 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.519 0.502 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.254 0.415 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.166 1.274 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.263 2.191 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.783 0.576 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.770 2.353 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.683 1.508 0.252 1.00 0.00 H new ATOM 881 N GLU A 56 -2.398 3.456 -3.210 1.00 0.00 N ATOM 882 CA GLU A 56 -3.561 3.584 -4.120 1.00 0.00 C ATOM 883 C GLU A 56 -3.116 3.356 -5.585 1.00 0.00 C ATOM 884 O GLU A 56 -2.473 4.130 -6.224 1.00 0.00 O ATOM 885 CB GLU A 56 -4.110 4.998 -4.020 1.00 0.00 C ATOM 886 CG GLU A 56 -5.549 5.096 -4.571 1.00 0.00 C ATOM 887 CD GLU A 56 -6.055 6.534 -4.541 1.00 0.00 C ATOM 888 OE1 GLU A 56 -5.674 7.301 -3.655 1.00 0.00 O ATOM 889 OE2 GLU A 56 -6.834 6.867 -5.422 1.00 0.00 O ATOM 0 H GLU A 56 -1.835 4.306 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.313 2.847 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.097 5.320 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.462 5.679 -4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.576 4.720 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.211 4.462 -3.981 1.00 0.00 H new ATOM 896 N PHE A 57 -3.451 2.200 -6.052 1.00 0.00 N ATOM 897 CA PHE A 57 -3.082 1.671 -7.394 1.00 0.00 C ATOM 898 C PHE A 57 -4.329 1.523 -8.298 1.00 0.00 C ATOM 899 O PHE A 57 -5.075 0.616 -8.073 1.00 0.00 O ATOM 900 CB PHE A 57 -2.581 0.226 -7.192 1.00 0.00 C ATOM 901 CG PHE A 57 -1.090 0.092 -7.172 1.00 0.00 C ATOM 902 CD1 PHE A 57 -0.386 0.603 -6.093 1.00 0.00 C ATOM 903 CD2 PHE A 57 -0.433 -0.538 -8.223 1.00 0.00 C ATOM 904 CE1 PHE A 57 1.011 0.454 -6.114 1.00 0.00 C ATOM 905 CE2 PHE A 57 0.960 -0.669 -8.211 1.00 0.00 C ATOM 906 CZ PHE A 57 1.697 -0.167 -7.148 1.00 0.00 C ATOM 0 H PHE A 57 -4.014 1.542 -5.513 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.354 2.347 -7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.982 -0.158 -6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.980 -0.400 -7.990 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.889 1.094 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.002 -0.929 -9.054 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.580 0.843 -5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.462 -1.162 -9.030 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.773 -0.257 -7.126 1.00 0.00 H new ATOM 916 N ASP A 58 -4.417 2.443 -9.184 1.00 0.00 N ATOM 917 CA ASP A 58 -5.539 2.562 -10.176 1.00 0.00 C ATOM 918 C ASP A 58 -6.350 1.290 -10.281 1.00 0.00 C ATOM 919 O ASP A 58 -7.555 1.297 -10.230 1.00 0.00 O ATOM 920 CB ASP A 58 -4.948 2.979 -11.535 1.00 0.00 C ATOM 921 CG ASP A 58 -6.104 3.029 -12.529 1.00 0.00 C ATOM 922 OD1 ASP A 58 -7.208 3.356 -12.093 1.00 0.00 O ATOM 923 OD2 ASP A 58 -5.834 2.731 -13.674 1.00 0.00 O ATOM 0 H ASP A 58 -3.716 3.178 -9.283 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.237 3.325 -9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.461 3.951 -11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.190 2.266 -11.861 1.00 0.00 H new ATOM 928 N ASN A 59 -5.725 0.144 -10.423 1.00 0.00 N ATOM 929 CA ASN A 59 -6.516 -1.126 -10.503 1.00 0.00 C ATOM 930 C ASN A 59 -5.752 -2.238 -9.749 1.00 0.00 C ATOM 931 O ASN A 59 -4.558 -2.313 -9.717 1.00 0.00 O ATOM 932 CB ASN A 59 -6.857 -1.522 -11.925 1.00 0.00 C ATOM 933 CG ASN A 59 -5.649 -2.048 -12.710 1.00 0.00 C ATOM 934 OD1 ASN A 59 -4.998 -2.992 -12.319 1.00 0.00 O ATOM 935 ND2 ASN A 59 -5.352 -1.432 -13.831 1.00 0.00 N ATOM 0 H ASN A 59 -4.713 0.033 -10.486 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.481 -0.965 -10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.632 -2.288 -11.906 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.274 -0.660 -12.446 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.560 -1.746 -14.391 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.914 -0.639 -14.142 1.00 0.00 H new ATOM 942 N GLU A 60 -6.519 -3.092 -9.150 1.00 0.00 N ATOM 943 CA GLU A 60 -6.019 -4.270 -8.348 1.00 0.00 C ATOM 944 C GLU A 60 -5.082 -5.213 -9.127 1.00 0.00 C ATOM 945 O GLU A 60 -4.336 -5.950 -8.550 1.00 0.00 O ATOM 946 CB GLU A 60 -7.160 -5.005 -7.663 1.00 0.00 C ATOM 947 CG GLU A 60 -8.096 -5.707 -8.627 1.00 0.00 C ATOM 948 CD GLU A 60 -9.133 -4.754 -9.233 1.00 0.00 C ATOM 949 OE1 GLU A 60 -9.528 -3.863 -8.502 1.00 0.00 O ATOM 950 OE2 GLU A 60 -9.471 -4.970 -10.384 1.00 0.00 O ATOM 0 H GLU A 60 -7.537 -3.029 -9.177 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.387 -3.849 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.745 -5.740 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.732 -4.295 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.514 -6.163 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.610 -6.515 -8.107 1.00 0.00 H new ATOM 957 N VAL A 61 -5.041 -5.246 -10.443 1.00 0.00 N ATOM 958 CA VAL A 61 -4.085 -6.148 -11.177 1.00 0.00 C ATOM 959 C VAL A 61 -2.677 -5.542 -10.899 1.00 0.00 C ATOM 960 O VAL A 61 -1.709 -6.198 -10.589 1.00 0.00 O ATOM 961 CB VAL A 61 -4.325 -6.048 -12.673 1.00 0.00 C ATOM 962 CG1 VAL A 61 -3.339 -6.937 -13.435 1.00 0.00 C ATOM 963 CG2 VAL A 61 -5.735 -6.568 -12.981 1.00 0.00 C ATOM 0 H VAL A 61 -5.636 -4.680 -11.047 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.194 -7.186 -10.863 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.202 -5.008 -12.975 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.526 -6.853 -14.506 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.319 -6.618 -13.218 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.469 -7.974 -13.124 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.921 -6.502 -14.053 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.817 -7.607 -12.662 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.470 -5.965 -12.447 1.00 0.00 H new ATOM 973 N GLN A 62 -2.680 -4.234 -11.022 1.00 0.00 N ATOM 974 CA GLN A 62 -1.430 -3.483 -10.757 1.00 0.00 C ATOM 975 C GLN A 62 -1.227 -3.299 -9.251 1.00 0.00 C ATOM 976 O GLN A 62 -0.086 -3.273 -8.802 1.00 0.00 O ATOM 977 CB GLN A 62 -1.343 -2.093 -11.430 1.00 0.00 C ATOM 978 CG GLN A 62 -2.094 -1.975 -12.750 1.00 0.00 C ATOM 979 CD GLN A 62 -2.846 -0.627 -12.784 1.00 0.00 C ATOM 980 OE1 GLN A 62 -3.351 -0.112 -11.818 1.00 0.00 O ATOM 981 NE2 GLN A 62 -2.925 -0.032 -13.949 1.00 0.00 N ATOM 0 H GLN A 62 -3.486 -3.669 -11.291 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.646 -4.097 -11.200 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.732 -1.345 -10.739 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.294 -1.853 -11.602 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.397 -2.038 -13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.797 -2.801 -12.858 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.500 -0.462 -14.771 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.411 0.861 -14.034 1.00 0.00 H new ATOM 990 N ALA A 63 -2.236 -3.171 -8.472 1.00 0.00 N ATOM 991 CA ALA A 63 -2.071 -2.962 -7.000 1.00 0.00 C ATOM 992 C ALA A 63 -1.571 -4.313 -6.477 1.00 0.00 C ATOM 993 O ALA A 63 -0.715 -4.354 -5.636 1.00 0.00 O ATOM 994 CB ALA A 63 -3.417 -2.679 -6.336 1.00 0.00 C ATOM 0 H ALA A 63 -3.206 -3.201 -8.787 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.405 -2.125 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.271 -2.531 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.855 -1.781 -6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.087 -3.524 -6.497 1.00 0.00 H new ATOM 1000 N GLY A 64 -2.170 -5.320 -7.045 1.00 0.00 N ATOM 1001 CA GLY A 64 -1.844 -6.743 -6.678 1.00 0.00 C ATOM 1002 C GLY A 64 -0.491 -7.080 -7.257 1.00 0.00 C ATOM 1003 O GLY A 64 0.299 -7.821 -6.664 1.00 0.00 O ATOM 0 H GLY A 64 -2.888 -5.224 -7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.835 -6.864 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.604 -7.420 -7.068 1.00 0.00 H new ATOM 1007 N ALA A 65 -0.139 -6.581 -8.395 1.00 0.00 N ATOM 1008 CA ALA A 65 1.185 -6.858 -9.036 1.00 0.00 C ATOM 1009 C ALA A 65 2.222 -6.231 -8.113 1.00 0.00 C ATOM 1010 O ALA A 65 3.103 -6.884 -7.567 1.00 0.00 O ATOM 1011 CB ALA A 65 1.242 -6.321 -10.458 1.00 0.00 C ATOM 0 H ALA A 65 -0.737 -5.961 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 65 1.372 -7.926 -9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.218 -6.541 -10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.464 -6.794 -11.057 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.085 -5.242 -10.446 1.00 0.00 H new ATOM 1017 N ALA A 66 2.177 -4.939 -7.858 1.00 0.00 N ATOM 1018 CA ALA A 66 3.139 -4.248 -6.932 1.00 0.00 C ATOM 1019 C ALA A 66 3.074 -4.882 -5.568 1.00 0.00 C ATOM 1020 O ALA A 66 4.085 -5.290 -5.020 1.00 0.00 O ATOM 1021 CB ALA A 66 2.700 -2.783 -6.760 1.00 0.00 C ATOM 0 H ALA A 66 1.485 -4.313 -8.271 1.00 0.00 H new ATOM 0 HA ALA A 66 4.143 -4.322 -7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.391 -2.272 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.702 -2.286 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.696 -2.751 -6.338 1.00 0.00 H new ATOM 1027 N ARG A 67 1.941 -5.020 -4.966 1.00 0.00 N ATOM 1028 CA ARG A 67 1.741 -5.621 -3.648 1.00 0.00 C ATOM 1029 C ARG A 67 2.386 -7.003 -3.596 1.00 0.00 C ATOM 1030 O ARG A 67 3.250 -7.191 -2.782 1.00 0.00 O ATOM 1031 CB ARG A 67 0.242 -5.834 -3.298 1.00 0.00 C ATOM 1032 CG ARG A 67 0.109 -6.141 -1.804 1.00 0.00 C ATOM 1033 CD ARG A 67 0.243 -7.663 -1.599 1.00 0.00 C ATOM 1034 NE ARG A 67 -1.029 -8.191 -1.012 1.00 0.00 N ATOM 1035 CZ ARG A 67 -1.229 -8.189 0.289 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -1.760 -7.149 0.890 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -0.897 -9.229 0.979 1.00 0.00 N ATOM 0 H ARG A 67 1.067 -4.705 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 67 2.188 -4.924 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.332 -4.942 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.168 -6.654 -3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.879 -5.614 -1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.854 -5.793 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.451 -8.154 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.082 -7.881 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.752 -8.558 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.024 -6.326 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.908 -7.164 1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.485 -10.039 0.515 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.047 -9.241 1.988 1.00 0.00 H new ATOM 1051 N ASP A 68 1.968 -7.894 -4.439 1.00 0.00 N ATOM 1052 CA ASP A 68 2.524 -9.287 -4.505 1.00 0.00 C ATOM 1053 C ASP A 68 4.009 -9.276 -4.943 1.00 0.00 C ATOM 1054 O ASP A 68 4.743 -10.210 -4.648 1.00 0.00 O ATOM 1055 CB ASP A 68 1.706 -10.164 -5.481 1.00 0.00 C ATOM 1056 CG ASP A 68 1.851 -11.670 -5.188 1.00 0.00 C ATOM 1057 OD1 ASP A 68 2.459 -12.014 -4.200 1.00 0.00 O ATOM 1058 OD2 ASP A 68 1.359 -12.470 -5.956 1.00 0.00 O ATOM 0 H ASP A 68 1.230 -7.715 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 68 2.455 -9.711 -3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.654 -9.885 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.030 -9.963 -6.502 1.00 0.00 H new ATOM 1063 N ALA A 69 4.466 -8.257 -5.630 1.00 0.00 N ATOM 1064 CA ALA A 69 5.884 -8.185 -6.079 1.00 0.00 C ATOM 1065 C ALA A 69 6.740 -7.841 -4.855 1.00 0.00 C ATOM 1066 O ALA A 69 7.823 -8.341 -4.706 1.00 0.00 O ATOM 1067 CB ALA A 69 6.069 -7.137 -7.188 1.00 0.00 C ATOM 0 H ALA A 69 3.898 -7.455 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 69 6.189 -9.142 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.115 -7.110 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.448 -7.400 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.775 -6.156 -6.814 1.00 0.00 H new ATOM 1073 N LEU A 70 6.203 -6.982 -4.011 1.00 0.00 N ATOM 1074 CA LEU A 70 6.958 -6.578 -2.773 1.00 0.00 C ATOM 1075 C LEU A 70 6.183 -7.189 -1.587 1.00 0.00 C ATOM 1076 O LEU A 70 6.322 -6.743 -0.470 1.00 0.00 O ATOM 1077 CB LEU A 70 7.075 -5.073 -2.588 1.00 0.00 C ATOM 1078 CG LEU A 70 5.752 -4.333 -2.833 1.00 0.00 C ATOM 1079 CD1 LEU A 70 5.424 -3.326 -1.715 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.958 -3.513 -4.103 1.00 0.00 C ATOM 0 H LEU A 70 5.287 -6.548 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 70 7.984 -6.938 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.420 -4.863 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.833 -4.687 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 70 4.945 -5.064 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.479 -2.830 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.343 -3.852 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.218 -2.582 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.046 -2.961 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.779 -2.812 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.195 -4.180 -4.932 1.00 0.00 H new ATOM 1092 N GLN A 71 5.384 -8.194 -1.826 1.00 0.00 N ATOM 1093 CA GLN A 71 4.614 -8.822 -0.691 1.00 0.00 C ATOM 1094 C GLN A 71 5.621 -9.637 0.134 1.00 0.00 C ATOM 1095 O GLN A 71 5.584 -10.847 0.220 1.00 0.00 O ATOM 1096 CB GLN A 71 3.471 -9.689 -1.189 1.00 0.00 C ATOM 1097 CG GLN A 71 2.790 -10.383 0.002 1.00 0.00 C ATOM 1098 CD GLN A 71 2.796 -9.431 1.176 1.00 0.00 C ATOM 1099 OE1 GLN A 71 2.199 -8.367 1.056 1.00 0.00 O ATOM 1100 NE2 GLN A 71 3.394 -9.673 2.294 1.00 0.00 N ATOM 0 H GLN A 71 5.226 -8.610 -2.744 1.00 0.00 H new ATOM 0 HA GLN A 71 4.148 -8.050 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.747 -9.078 -1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.846 -10.434 -1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.768 -10.662 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.317 -11.303 0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.899 -10.550 2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.362 -8.987 3.048 1.00 0.00 H new ATOM 1109 N GLY A 72 6.552 -8.998 0.763 1.00 0.00 N ATOM 1110 CA GLY A 72 7.559 -9.713 1.576 1.00 0.00 C ATOM 1111 C GLY A 72 8.778 -8.785 1.711 1.00 0.00 C ATOM 1112 O GLY A 72 9.900 -9.248 1.645 1.00 0.00 O ATOM 0 H GLY A 72 6.661 -7.984 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.155 -9.962 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.841 -10.652 1.100 1.00 0.00 H new ATOM 1116 N PHE A 73 8.593 -7.506 1.894 1.00 0.00 N ATOM 1117 CA PHE A 73 9.767 -6.619 2.020 1.00 0.00 C ATOM 1118 C PHE A 73 10.369 -6.851 3.418 1.00 0.00 C ATOM 1119 O PHE A 73 10.253 -6.034 4.319 1.00 0.00 O ATOM 1120 CB PHE A 73 9.419 -5.146 1.793 1.00 0.00 C ATOM 1121 CG PHE A 73 10.569 -4.403 1.151 1.00 0.00 C ATOM 1122 CD1 PHE A 73 11.891 -4.747 1.437 1.00 0.00 C ATOM 1123 CD2 PHE A 73 10.281 -3.360 0.258 1.00 0.00 C ATOM 1124 CE1 PHE A 73 12.960 -4.060 0.839 1.00 0.00 C ATOM 1125 CE2 PHE A 73 11.323 -2.668 -0.344 1.00 0.00 C ATOM 1126 CZ PHE A 73 12.638 -3.019 -0.053 1.00 0.00 C ATOM 0 H PHE A 73 7.685 -7.047 1.960 1.00 0.00 H new ATOM 0 HA PHE A 73 10.493 -6.862 1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.536 -5.072 1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.167 -4.679 2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.095 -5.552 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.256 -3.097 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.986 -4.319 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.115 -1.863 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.440 -2.474 -0.528 1.00 0.00 H new ATOM 1136 N LYS A 74 11.007 -7.989 3.552 1.00 0.00 N ATOM 1137 CA LYS A 74 11.656 -8.385 4.835 1.00 0.00 C ATOM 1138 C LYS A 74 12.734 -7.314 5.113 1.00 0.00 C ATOM 1139 O LYS A 74 13.872 -7.494 4.728 1.00 0.00 O ATOM 1140 CB LYS A 74 12.366 -9.721 4.737 1.00 0.00 C ATOM 1141 CG LYS A 74 13.064 -9.817 3.365 1.00 0.00 C ATOM 1142 CD LYS A 74 14.473 -10.421 3.531 1.00 0.00 C ATOM 1143 CE LYS A 74 14.433 -11.872 3.096 1.00 0.00 C ATOM 1144 NZ LYS A 74 15.090 -12.750 4.122 1.00 0.00 N ATOM 0 H LYS A 74 11.105 -8.675 2.804 1.00 0.00 H new ATOM 0 HA LYS A 74 10.895 -8.466 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.097 -9.819 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.652 -10.537 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.472 -10.434 2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.134 -8.827 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.195 -9.866 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.796 -10.346 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.399 -12.185 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.938 -11.984 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.053 -13.740 3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.082 -12.462 4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.591 -12.657 5.030 1.00 0.00 H new ATOM 1158 N ILE A 75 12.311 -6.275 5.756 1.00 0.00 N ATOM 1159 CA ILE A 75 13.191 -5.124 6.124 1.00 0.00 C ATOM 1160 C ILE A 75 14.446 -5.706 6.811 1.00 0.00 C ATOM 1161 O ILE A 75 15.548 -5.265 6.574 1.00 0.00 O ATOM 1162 CB ILE A 75 12.516 -4.223 7.153 1.00 0.00 C ATOM 1163 CG1 ILE A 75 11.096 -3.838 6.771 1.00 0.00 C ATOM 1164 CG2 ILE A 75 13.358 -2.935 7.284 1.00 0.00 C ATOM 1165 CD1 ILE A 75 11.128 -3.163 5.386 1.00 0.00 C ATOM 0 H ILE A 75 11.344 -6.164 6.060 1.00 0.00 H new ATOM 0 HA ILE A 75 13.416 -4.551 5.224 1.00 0.00 H new ATOM 0 HB ILE A 75 12.456 -4.776 8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.458 -4.721 6.747 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.675 -3.160 7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.897 -2.271 8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 75 14.366 -3.191 7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 75 13.407 -2.432 6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.116 -2.880 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.756 -2.273 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.535 -3.858 4.652 1.00 0.00 H new ATOM 1177 N THR A 76 14.214 -6.694 7.656 1.00 0.00 N ATOM 1178 CA THR A 76 15.373 -7.289 8.350 1.00 0.00 C ATOM 1179 C THR A 76 15.286 -8.832 8.447 1.00 0.00 C ATOM 1180 O THR A 76 16.294 -9.381 8.863 1.00 0.00 O ATOM 1181 CB THR A 76 15.342 -6.794 9.816 1.00 0.00 C ATOM 1182 OG1 THR A 76 14.836 -5.481 9.892 1.00 0.00 O ATOM 1183 CG2 THR A 76 16.731 -6.867 10.444 1.00 0.00 C ATOM 0 H THR A 76 13.301 -7.091 7.879 1.00 0.00 H new ATOM 0 HA THR A 76 16.265 -7.006 7.791 1.00 0.00 H new ATOM 0 HB THR A 76 14.677 -7.451 10.377 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.824 -5.189 10.827 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.684 -6.514 11.474 1.00 0.00 H new ATOM 0 HG22 THR A 76 17.083 -7.899 10.430 1.00 0.00 H new ATOM 0 HG23 THR A 76 17.420 -6.241 9.877 1.00 0.00 H new ATOM 1191 N GLN A 77 14.194 -9.420 8.105 1.00 0.00 N ATOM 1192 CA GLN A 77 13.943 -10.882 8.157 1.00 0.00 C ATOM 1193 C GLN A 77 13.041 -11.127 9.393 1.00 0.00 C ATOM 1194 O GLN A 77 12.199 -11.995 9.392 1.00 0.00 O ATOM 1195 CB GLN A 77 15.197 -11.722 8.184 1.00 0.00 C ATOM 1196 CG GLN A 77 15.632 -12.088 9.615 1.00 0.00 C ATOM 1197 CD GLN A 77 16.717 -13.186 9.546 1.00 0.00 C ATOM 1198 OE1 GLN A 77 16.739 -13.918 8.567 1.00 0.00 O ATOM 1199 NE2 GLN A 77 17.578 -13.319 10.507 1.00 0.00 N ATOM 0 H GLN A 77 13.388 -8.899 7.759 1.00 0.00 H new ATOM 0 HA GLN A 77 13.451 -11.200 7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.030 -12.636 7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 77 16.004 -11.180 7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.020 -11.207 10.127 1.00 0.00 H new ATOM 0 HG3 GLN A 77 14.776 -12.440 10.190 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.541 -12.697 11.315 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.292 -14.046 10.455 1.00 0.00 H new ATOM 1208 N ASN A 78 13.289 -10.317 10.379 1.00 0.00 N ATOM 1209 CA ASN A 78 12.523 -10.346 11.674 1.00 0.00 C ATOM 1210 C ASN A 78 11.481 -9.206 11.560 1.00 0.00 C ATOM 1211 O ASN A 78 10.558 -9.161 12.354 1.00 0.00 O ATOM 1212 CB ASN A 78 13.481 -10.119 12.830 1.00 0.00 C ATOM 1213 CG ASN A 78 12.836 -10.560 14.150 1.00 0.00 C ATOM 1214 OD1 ASN A 78 13.169 -11.637 14.600 1.00 0.00 O ATOM 1215 ND2 ASN A 78 11.970 -9.812 14.753 1.00 0.00 N ATOM 0 H ASN A 78 14.018 -9.605 10.348 1.00 0.00 H new ATOM 0 HA ASN A 78 12.030 -11.301 11.856 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.402 -10.677 12.663 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.753 -9.065 12.884 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.549 -10.123 15.629 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.708 -8.911 14.353 1.00 0.00 H new ATOM 1222 N ASN A 79 11.676 -8.364 10.597 1.00 0.00 N ATOM 1223 CA ASN A 79 10.811 -7.194 10.286 1.00 0.00 C ATOM 1224 C ASN A 79 10.423 -7.319 8.791 1.00 0.00 C ATOM 1225 O ASN A 79 11.352 -7.354 7.995 1.00 0.00 O ATOM 1226 CB ASN A 79 11.578 -5.918 10.575 1.00 0.00 C ATOM 1227 CG ASN A 79 11.052 -5.226 11.850 1.00 0.00 C ATOM 1228 OD1 ASN A 79 10.963 -5.901 12.844 1.00 0.00 O ATOM 1229 ND2 ASN A 79 10.736 -3.964 11.797 1.00 0.00 N ATOM 0 H ASN A 79 12.467 -8.447 9.959 1.00 0.00 H new ATOM 0 HA ASN A 79 9.908 -7.166 10.896 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.637 -6.146 10.693 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.491 -5.238 9.727 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.389 -3.490 12.631 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.835 -3.450 10.922 1.00 0.00 H new ATOM 1236 N ALA A 80 9.171 -7.384 8.458 1.00 0.00 N ATOM 1237 CA ALA A 80 8.793 -7.515 7.029 1.00 0.00 C ATOM 1238 C ALA A 80 7.565 -6.644 6.730 1.00 0.00 C ATOM 1239 O ALA A 80 6.553 -6.846 7.363 1.00 0.00 O ATOM 1240 CB ALA A 80 8.457 -8.975 6.673 1.00 0.00 C ATOM 0 H ALA A 80 8.390 -7.352 9.114 1.00 0.00 H new ATOM 0 HA ALA A 80 9.644 -7.189 6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.184 -9.039 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.326 -9.605 6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.622 -9.316 7.286 1.00 0.00 H new ATOM 1246 N MET A 81 7.720 -5.748 5.811 1.00 0.00 N ATOM 1247 CA MET A 81 6.668 -4.799 5.370 1.00 0.00 C ATOM 1248 C MET A 81 5.276 -5.393 5.372 1.00 0.00 C ATOM 1249 O MET A 81 5.080 -6.476 4.851 1.00 0.00 O ATOM 1250 CB MET A 81 7.024 -4.394 3.923 1.00 0.00 C ATOM 1251 CG MET A 81 5.803 -3.986 3.127 1.00 0.00 C ATOM 1252 SD MET A 81 6.402 -3.446 1.489 1.00 0.00 S ATOM 1253 CE MET A 81 7.194 -1.904 1.989 1.00 0.00 C ATOM 0 H MET A 81 8.600 -5.626 5.310 1.00 0.00 H new ATOM 0 HA MET A 81 6.646 -3.960 6.066 1.00 0.00 H new ATOM 0 HB2 MET A 81 7.735 -3.568 3.943 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.518 -5.228 3.425 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.108 -4.820 3.029 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.266 -3.180 3.628 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.073 -1.729 1.369 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.493 -1.078 1.866 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.495 -1.972 3.035 1.00 0.00 H new ATOM 1263 N LYS A 82 4.238 -4.768 5.908 1.00 0.00 N ATOM 1264 CA LYS A 82 2.875 -5.315 5.904 1.00 0.00 C ATOM 1265 C LYS A 82 1.944 -4.195 5.347 1.00 0.00 C ATOM 1266 O LYS A 82 1.970 -3.150 5.949 1.00 0.00 O ATOM 1267 CB LYS A 82 2.560 -5.688 7.372 1.00 0.00 C ATOM 1268 CG LYS A 82 2.695 -7.214 7.552 1.00 0.00 C ATOM 1269 CD LYS A 82 1.322 -7.852 7.385 1.00 0.00 C ATOM 1270 CE LYS A 82 1.204 -8.567 6.033 1.00 0.00 C ATOM 1271 NZ LYS A 82 1.612 -10.006 6.150 1.00 0.00 N ATOM 0 H LYS A 82 4.311 -3.858 6.364 1.00 0.00 H new ATOM 0 HA LYS A 82 2.742 -6.201 5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.243 -5.169 8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.551 -5.368 7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.392 -7.620 6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.100 -7.443 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.148 -8.564 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.550 -7.086 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.177 -8.504 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.832 -8.066 5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.524 -10.468 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.599 -10.062 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.996 -10.487 6.837 1.00 0.00 H new ATOM 1285 N ILE A 83 1.345 -4.553 4.252 1.00 0.00 N ATOM 1286 CA ILE A 83 0.470 -3.717 3.386 1.00 0.00 C ATOM 1287 C ILE A 83 -0.823 -4.541 3.208 1.00 0.00 C ATOM 1288 O ILE A 83 -0.877 -5.670 2.796 1.00 0.00 O ATOM 1289 CB ILE A 83 1.135 -3.555 1.996 1.00 0.00 C ATOM 1290 CG1 ILE A 83 2.171 -2.429 2.065 1.00 0.00 C ATOM 1291 CG2 ILE A 83 0.100 -3.180 0.950 1.00 0.00 C ATOM 1292 CD1 ILE A 83 3.079 -2.447 0.818 1.00 0.00 C ATOM 0 H ILE A 83 1.442 -5.500 3.886 1.00 0.00 H new ATOM 0 HA ILE A 83 0.291 -2.731 3.814 1.00 0.00 H new ATOM 0 HB ILE A 83 1.603 -4.501 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.665 -1.466 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.777 -2.540 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.586 -3.071 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.657 -3.962 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.373 -2.238 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.808 -1.639 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.601 -3.402 0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.471 -2.312 -0.077 1.00 0.00 H new ATOM 1304 N SER A 84 -1.857 -3.896 3.611 1.00 0.00 N ATOM 1305 CA SER A 84 -3.225 -4.476 3.664 1.00 0.00 C ATOM 1306 C SER A 84 -4.153 -3.781 2.669 1.00 0.00 C ATOM 1307 O SER A 84 -4.594 -2.718 2.950 1.00 0.00 O ATOM 1308 CB SER A 84 -3.765 -4.338 5.102 1.00 0.00 C ATOM 1309 OG SER A 84 -4.523 -5.496 5.389 1.00 0.00 O ATOM 0 H SER A 84 -1.816 -2.927 3.928 1.00 0.00 H new ATOM 0 HA SER A 84 -3.183 -5.529 3.387 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.943 -4.233 5.811 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.382 -3.444 5.195 1.00 0.00 H new ATOM 0 HG SER A 84 -4.879 -5.437 6.300 1.00 0.00 H new ATOM 1315 N PHE A 85 -4.382 -4.429 1.585 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.327 -3.931 0.537 1.00 0.00 C ATOM 1317 C PHE A 85 -6.630 -3.403 1.148 1.00 0.00 C ATOM 1318 O PHE A 85 -6.952 -3.533 2.302 1.00 0.00 O ATOM 1319 CB PHE A 85 -5.770 -5.084 -0.393 1.00 0.00 C ATOM 1320 CG PHE A 85 -5.517 -6.437 0.175 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -6.288 -6.938 1.217 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -4.462 -7.203 -0.371 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -5.999 -8.208 1.710 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -4.182 -8.471 0.123 1.00 0.00 C ATOM 1325 CZ PHE A 85 -4.957 -8.970 1.169 1.00 0.00 C ATOM 0 H PHE A 85 -3.943 -5.321 1.358 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.788 -3.147 0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.834 -4.981 -0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.246 -4.994 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.095 -6.355 1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.869 -6.799 -1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.587 -8.611 2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.379 -9.059 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.751 -9.953 1.565 1.00 0.00 H new ATOM 1335 N ALA A 86 -7.468 -2.768 0.360 1.00 0.00 N ATOM 1336 CA ALA A 86 -8.722 -2.225 0.897 1.00 0.00 C ATOM 1337 C ALA A 86 -9.696 -3.296 1.376 1.00 0.00 C ATOM 1338 O ALA A 86 -10.791 -2.907 1.771 1.00 0.00 O ATOM 1339 CB ALA A 86 -9.347 -1.354 -0.213 1.00 0.00 C ATOM 0 H ALA A 86 -7.321 -2.610 -0.637 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.503 -1.638 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.285 -0.928 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.660 -0.550 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.539 -1.968 -1.093 1.00 0.00 H new ATOM 1345 N LYS A 87 -9.379 -4.555 1.370 1.00 0.00 N ATOM 1346 CA LYS A 87 -10.258 -5.663 1.827 1.00 0.00 C ATOM 1347 C LYS A 87 -11.366 -5.965 0.798 1.00 0.00 C ATOM 1348 O LYS A 87 -11.608 -5.124 -0.023 1.00 0.00 O ATOM 1349 CB LYS A 87 -10.835 -5.421 3.228 1.00 0.00 C ATOM 1350 CG LYS A 87 -10.024 -6.216 4.271 1.00 0.00 C ATOM 1351 CD LYS A 87 -10.585 -5.900 5.664 1.00 0.00 C ATOM 1352 CE LYS A 87 -9.394 -5.701 6.592 1.00 0.00 C ATOM 1353 NZ LYS A 87 -8.678 -7.000 6.784 1.00 0.00 N ATOM 0 H LYS A 87 -8.472 -4.884 1.039 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.628 -6.549 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.806 -4.357 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.881 -5.726 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.091 -7.285 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.969 -5.947 4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.205 -5.004 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.218 -6.714 6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.714 -4.959 6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.732 -5.316 7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.011 -6.915 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.368 -7.750 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.156 -7.240 5.917 1.00 0.00 H new ATOM 1367 N LYS A 88 -11.925 -7.120 0.943 1.00 0.00 N ATOM 1368 CA LYS A 88 -13.021 -7.672 0.096 1.00 0.00 C ATOM 1369 C LYS A 88 -12.355 -8.737 -0.802 1.00 0.00 C ATOM 1370 O LYS A 88 -12.312 -8.545 -2.010 1.00 0.00 O ATOM 1371 CB LYS A 88 -13.753 -6.646 -0.746 1.00 0.00 C ATOM 1372 CG LYS A 88 -14.881 -7.307 -1.556 1.00 0.00 C ATOM 1373 CD LYS A 88 -15.416 -8.535 -0.833 1.00 0.00 C ATOM 1374 CE LYS A 88 -16.773 -8.934 -1.379 1.00 0.00 C ATOM 1375 NZ LYS A 88 -16.587 -9.941 -2.451 1.00 0.00 N ATOM 1376 OXT LYS A 88 -11.905 -9.715 -0.227 1.00 0.00 O ATOM 0 H LYS A 88 -11.642 -7.764 1.681 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.798 -8.078 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.168 -5.870 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.052 -6.157 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.688 -6.592 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.510 -7.592 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.716 -9.363 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.495 -8.328 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.394 -9.343 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.293 -8.060 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.514 -10.219 -2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.009 -9.533 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.107 -10.777 -2.062 1.00 0.00 H new TER 1390 LYS A 88