USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 679 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.12 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc= 0.255 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.3!) USER MOD Single : A 17 GLN : amide:sc= -0.0456 K(o=-0.046,f=-1.7!) USER MOD Single : A 20 MET CE :methyl -170:sc= 0 (180deg=-0.14) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= -0.548 (180deg=-0.568) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.697 K(o=-0.7,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -169:sc= -1.62 (180deg=-1.84) USER MOD Single : A 50 MET CE :methyl -109:sc= -0.0859 (180deg=-3.3!) USER MOD Single : A 52 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.9!) USER MOD Single : A 56 GLN : amide:sc=-0.00447 K(o=-0.0045,f=-2.2!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 147:sc= 0.441 (180deg=-0.139) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= -2.39 (180deg=-3.14!) USER MOD Single : A 79 MET CE :methyl -178:sc= -1.08 (180deg=-1.09) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.020 1.367 -3.462 1.00 0.00 N ATOM 2 CA GLY A 1 35.666 0.872 -3.629 1.00 0.00 C ATOM 3 C GLY A 1 34.789 1.168 -2.429 1.00 0.00 C ATOM 4 O GLY A 1 35.176 0.910 -1.289 1.00 0.00 O ATOM 0 H1 GLY A 1 37.580 1.140 -4.309 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.999 2.398 -3.327 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.454 0.918 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.225 1.323 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.694 -0.204 -3.798 1.00 0.00 H new ATOM 8 N SER A 2 33.603 1.712 -2.684 1.00 0.00 N ATOM 9 CA SER A 2 32.670 2.048 -1.615 1.00 0.00 C ATOM 10 C SER A 2 32.530 0.890 -0.632 1.00 0.00 C ATOM 11 O SER A 2 32.994 -0.220 -0.893 1.00 0.00 O ATOM 12 CB SER A 2 31.301 2.406 -2.198 1.00 0.00 C ATOM 13 OG SER A 2 31.263 3.759 -2.616 1.00 0.00 O ATOM 0 H SER A 2 33.266 1.929 -3.622 1.00 0.00 H new ATOM 0 HA SER A 2 33.066 2.911 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.081 1.755 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.527 2.231 -1.451 1.00 0.00 H new ATOM 0 HG SER A 2 30.379 3.962 -2.986 1.00 0.00 H new ATOM 19 N SER A 3 31.888 1.158 0.501 1.00 0.00 N ATOM 20 CA SER A 3 31.689 0.140 1.526 1.00 0.00 C ATOM 21 C SER A 3 30.215 0.030 1.903 1.00 0.00 C ATOM 22 O SER A 3 29.604 -1.028 1.762 1.00 0.00 O ATOM 23 CB SER A 3 32.522 0.467 2.767 1.00 0.00 C ATOM 24 OG SER A 3 32.245 1.775 3.237 1.00 0.00 O ATOM 0 H SER A 3 31.497 2.071 0.732 1.00 0.00 H new ATOM 0 HA SER A 3 32.015 -0.818 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.309 -0.258 3.553 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.582 0.379 2.531 1.00 0.00 H new ATOM 0 HG SER A 3 32.788 1.959 4.031 1.00 0.00 H new ATOM 30 N GLY A 4 29.650 1.133 2.386 1.00 0.00 N ATOM 31 CA GLY A 4 28.253 1.140 2.777 1.00 0.00 C ATOM 32 C GLY A 4 28.033 1.785 4.131 1.00 0.00 C ATOM 33 O GLY A 4 28.778 1.530 5.076 1.00 0.00 O ATOM 0 H GLY A 4 30.135 2.021 2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.671 1.673 2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.881 0.116 2.801 1.00 0.00 H new ATOM 37 N SER A 5 27.007 2.626 4.224 1.00 0.00 N ATOM 38 CA SER A 5 26.695 3.315 5.471 1.00 0.00 C ATOM 39 C SER A 5 25.186 3.434 5.662 1.00 0.00 C ATOM 40 O SER A 5 24.518 4.195 4.962 1.00 0.00 O ATOM 41 CB SER A 5 27.333 4.705 5.484 1.00 0.00 C ATOM 42 OG SER A 5 27.599 5.132 6.809 1.00 0.00 O ATOM 0 H SER A 5 26.379 2.846 3.451 1.00 0.00 H new ATOM 0 HA SER A 5 27.103 2.728 6.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.260 4.688 4.911 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.669 5.418 4.995 1.00 0.00 H new ATOM 0 HG SER A 5 28.008 6.022 6.790 1.00 0.00 H new ATOM 48 N SER A 6 24.655 2.675 6.615 1.00 0.00 N ATOM 49 CA SER A 6 23.224 2.691 6.897 1.00 0.00 C ATOM 50 C SER A 6 22.689 4.120 6.909 1.00 0.00 C ATOM 51 O SER A 6 23.211 4.985 7.612 1.00 0.00 O ATOM 52 CB SER A 6 22.940 2.017 8.241 1.00 0.00 C ATOM 53 OG SER A 6 23.486 2.766 9.313 1.00 0.00 O ATOM 0 H SER A 6 25.194 2.041 7.205 1.00 0.00 H new ATOM 0 HA SER A 6 22.717 2.138 6.107 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.864 1.911 8.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.362 1.012 8.244 1.00 0.00 H new ATOM 0 HG SER A 6 23.595 3.700 9.037 1.00 0.00 H new ATOM 59 N GLY A 7 21.642 4.360 6.125 1.00 0.00 N ATOM 60 CA GLY A 7 21.053 5.685 6.059 1.00 0.00 C ATOM 61 C GLY A 7 20.235 6.017 7.291 1.00 0.00 C ATOM 62 O GLY A 7 19.174 5.433 7.517 1.00 0.00 O ATOM 0 H GLY A 7 21.191 3.661 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.844 6.426 5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.418 5.754 5.176 1.00 0.00 H new ATOM 66 N HIS A 8 20.727 6.957 8.092 1.00 0.00 N ATOM 67 CA HIS A 8 20.034 7.365 9.308 1.00 0.00 C ATOM 68 C HIS A 8 18.806 8.208 8.977 1.00 0.00 C ATOM 69 O HIS A 8 18.673 8.719 7.866 1.00 0.00 O ATOM 70 CB HIS A 8 20.978 8.154 10.218 1.00 0.00 C ATOM 71 CG HIS A 8 21.789 7.289 11.132 1.00 0.00 C ATOM 72 ND1 HIS A 8 22.925 6.621 10.725 1.00 0.00 N ATOM 73 CD2 HIS A 8 21.626 6.987 12.441 1.00 0.00 C ATOM 74 CE1 HIS A 8 23.424 5.943 11.743 1.00 0.00 C ATOM 75 NE2 HIS A 8 22.654 6.149 12.797 1.00 0.00 N ATOM 0 H HIS A 8 21.603 7.450 7.920 1.00 0.00 H new ATOM 0 HA HIS A 8 19.706 6.465 9.829 1.00 0.00 H new ATOM 0 HB2 HIS A 8 21.652 8.749 9.601 1.00 0.00 H new ATOM 0 HB3 HIS A 8 20.393 8.853 10.816 1.00 0.00 H new ATOM 0 HD2 HIS A 8 20.835 7.339 13.086 1.00 0.00 H new ATOM 0 HE1 HIS A 8 24.310 5.326 11.718 1.00 0.00 H new ATOM 0 HE2 HIS A 8 22.800 5.750 13.724 1.00 0.00 H new ATOM 84 N GLY A 9 17.910 8.347 9.950 1.00 0.00 N ATOM 85 CA GLY A 9 16.704 9.127 9.741 1.00 0.00 C ATOM 86 C GLY A 9 15.692 8.938 10.854 1.00 0.00 C ATOM 87 O GLY A 9 14.772 8.128 10.734 1.00 0.00 O ATOM 0 H GLY A 9 17.998 7.934 10.878 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.966 10.183 9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 9 16.252 8.844 8.791 1.00 0.00 H new ATOM 91 N ASP A 10 15.861 9.685 11.939 1.00 0.00 N ATOM 92 CA ASP A 10 14.955 9.596 13.078 1.00 0.00 C ATOM 93 C ASP A 10 14.113 10.862 13.203 1.00 0.00 C ATOM 94 O ASP A 10 14.504 11.815 13.876 1.00 0.00 O ATOM 95 CB ASP A 10 15.744 9.363 14.367 1.00 0.00 C ATOM 96 CG ASP A 10 16.861 10.371 14.553 1.00 0.00 C ATOM 97 OD1 ASP A 10 17.798 10.378 13.727 1.00 0.00 O ATOM 98 OD2 ASP A 10 16.797 11.154 15.523 1.00 0.00 O ATOM 0 H ASP A 10 16.618 10.359 12.054 1.00 0.00 H new ATOM 0 HA ASP A 10 14.286 8.752 12.914 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.066 9.415 15.219 1.00 0.00 H new ATOM 0 HB3 ASP A 10 16.164 8.357 14.355 1.00 0.00 H new ATOM 103 N GLY A 11 12.956 10.864 12.549 1.00 0.00 N ATOM 104 CA GLY A 11 12.078 12.018 12.600 1.00 0.00 C ATOM 105 C GLY A 11 10.664 11.654 13.007 1.00 0.00 C ATOM 106 O GLY A 11 10.162 10.575 12.691 1.00 0.00 O ATOM 0 H GLY A 11 12.611 10.087 11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.480 12.745 13.305 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.059 12.499 11.622 1.00 0.00 H new ATOM 110 N PRO A 12 9.998 12.568 13.729 1.00 0.00 N ATOM 111 CA PRO A 12 8.624 12.360 14.197 1.00 0.00 C ATOM 112 C PRO A 12 7.613 12.380 13.055 1.00 0.00 C ATOM 113 O PRO A 12 7.853 12.987 12.012 1.00 0.00 O ATOM 114 CB PRO A 12 8.389 13.541 15.141 1.00 0.00 C ATOM 115 CG PRO A 12 9.324 14.598 14.666 1.00 0.00 C ATOM 116 CD PRO A 12 10.534 13.876 14.142 1.00 0.00 C ATOM 0 HA PRO A 12 8.497 11.386 14.671 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.354 13.881 15.100 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.594 13.267 16.176 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.863 15.205 13.886 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.594 15.274 15.478 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.988 14.407 13.305 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.303 13.772 14.908 1.00 0.00 H new ATOM 124 N GLY A 13 6.481 11.714 13.261 1.00 0.00 N ATOM 125 CA GLY A 13 5.451 11.669 12.240 1.00 0.00 C ATOM 126 C GLY A 13 5.286 10.285 11.644 1.00 0.00 C ATOM 127 O GLY A 13 6.238 9.507 11.591 1.00 0.00 O ATOM 0 H GLY A 13 6.259 11.205 14.117 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.503 11.991 12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.698 12.375 11.448 1.00 0.00 H new ATOM 131 N ASN A 14 4.074 9.977 11.193 1.00 0.00 N ATOM 132 CA ASN A 14 3.787 8.677 10.599 1.00 0.00 C ATOM 133 C ASN A 14 4.377 8.578 9.196 1.00 0.00 C ATOM 134 O ASN A 14 4.410 9.560 8.455 1.00 0.00 O ATOM 135 CB ASN A 14 2.277 8.438 10.547 1.00 0.00 C ATOM 136 CG ASN A 14 1.754 7.768 11.803 1.00 0.00 C ATOM 137 OD1 ASN A 14 2.427 6.925 12.396 1.00 0.00 O ATOM 138 ND2 ASN A 14 0.547 8.140 12.214 1.00 0.00 N ATOM 0 H ASN A 14 3.275 10.610 11.228 1.00 0.00 H new ATOM 0 HA ASN A 14 4.248 7.911 11.223 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.766 9.390 10.407 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.040 7.818 9.682 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.143 7.723 13.052 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.024 8.843 11.691 1.00 0.00 H new ATOM 145 N ALA A 15 4.842 7.385 8.838 1.00 0.00 N ATOM 146 CA ALA A 15 5.428 7.157 7.523 1.00 0.00 C ATOM 147 C ALA A 15 4.350 6.862 6.485 1.00 0.00 C ATOM 148 O ALA A 15 3.405 6.120 6.750 1.00 0.00 O ATOM 149 CB ALA A 15 6.431 6.015 7.584 1.00 0.00 C ATOM 0 H ALA A 15 4.824 6.562 9.440 1.00 0.00 H new ATOM 0 HA ALA A 15 5.947 8.067 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.861 5.855 6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.224 6.265 8.289 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.927 5.106 7.912 1.00 0.00 H new ATOM 155 N VAL A 16 4.499 7.449 5.301 1.00 0.00 N ATOM 156 CA VAL A 16 3.538 7.249 4.223 1.00 0.00 C ATOM 157 C VAL A 16 4.246 6.973 2.901 1.00 0.00 C ATOM 158 O VAL A 16 5.288 7.558 2.610 1.00 0.00 O ATOM 159 CB VAL A 16 2.620 8.474 4.055 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.370 9.616 3.387 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.378 8.102 3.259 1.00 0.00 C ATOM 0 H VAL A 16 5.276 8.066 5.065 1.00 0.00 H new ATOM 0 HA VAL A 16 2.932 6.385 4.495 1.00 0.00 H new ATOM 0 HB VAL A 16 2.304 8.809 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.705 10.473 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.226 9.897 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.717 9.298 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.740 8.979 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.672 7.742 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.831 7.319 3.783 1.00 0.00 H new ATOM 171 N GLN A 17 3.671 6.077 2.104 1.00 0.00 N ATOM 172 CA GLN A 17 4.248 5.723 0.813 1.00 0.00 C ATOM 173 C GLN A 17 3.158 5.554 -0.241 1.00 0.00 C ATOM 174 O GLN A 17 2.187 4.828 -0.032 1.00 0.00 O ATOM 175 CB GLN A 17 5.064 4.435 0.930 1.00 0.00 C ATOM 176 CG GLN A 17 6.489 4.660 1.410 1.00 0.00 C ATOM 177 CD GLN A 17 7.422 5.081 0.291 1.00 0.00 C ATOM 178 OE1 GLN A 17 7.050 5.062 -0.883 1.00 0.00 O ATOM 179 NE2 GLN A 17 8.641 5.465 0.649 1.00 0.00 N ATOM 0 H GLN A 17 2.807 5.584 2.330 1.00 0.00 H new ATOM 0 HA GLN A 17 4.907 6.534 0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.560 3.757 1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.090 3.942 -0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.490 5.425 2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.864 3.743 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.907 5.465 1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.312 5.760 -0.061 1.00 0.00 H new ATOM 188 N GLU A 18 3.328 6.229 -1.374 1.00 0.00 N ATOM 189 CA GLU A 18 2.357 6.154 -2.460 1.00 0.00 C ATOM 190 C GLU A 18 2.898 5.315 -3.615 1.00 0.00 C ATOM 191 O GLU A 18 4.055 5.457 -4.010 1.00 0.00 O ATOM 192 CB GLU A 18 2.004 7.557 -2.956 1.00 0.00 C ATOM 193 CG GLU A 18 1.199 8.371 -1.957 1.00 0.00 C ATOM 194 CD GLU A 18 0.986 9.803 -2.408 1.00 0.00 C ATOM 195 OE1 GLU A 18 0.913 10.034 -3.633 1.00 0.00 O ATOM 196 OE2 GLU A 18 0.894 10.693 -1.537 1.00 0.00 O ATOM 0 H GLU A 18 4.128 6.833 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 18 1.456 5.675 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.924 8.092 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.438 7.474 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.231 7.895 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.712 8.369 -0.995 1.00 0.00 H new ATOM 203 N ILE A 19 2.051 4.442 -4.150 1.00 0.00 N ATOM 204 CA ILE A 19 2.443 3.581 -5.259 1.00 0.00 C ATOM 205 C ILE A 19 1.378 3.571 -6.351 1.00 0.00 C ATOM 206 O ILE A 19 0.260 4.042 -6.145 1.00 0.00 O ATOM 207 CB ILE A 19 2.693 2.135 -4.789 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.836 1.820 -3.561 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.168 1.927 -4.481 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.497 2.192 -2.252 1.00 0.00 C ATOM 0 H ILE A 19 1.090 4.312 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 19 3.370 3.989 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 19 2.410 1.453 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.888 2.351 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.605 0.755 -3.552 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.329 0.901 -4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.757 2.116 -5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.476 2.615 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.833 1.941 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.432 1.641 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.703 3.262 -2.240 1.00 0.00 H new ATOM 222 N MET A 20 1.733 3.030 -7.511 1.00 0.00 N ATOM 223 CA MET A 20 0.806 2.956 -8.635 1.00 0.00 C ATOM 224 C MET A 20 0.209 1.558 -8.757 1.00 0.00 C ATOM 225 O MET A 20 0.936 0.574 -8.898 1.00 0.00 O ATOM 226 CB MET A 20 1.516 3.335 -9.936 1.00 0.00 C ATOM 227 CG MET A 20 2.673 2.414 -10.287 1.00 0.00 C ATOM 228 SD MET A 20 3.537 2.924 -11.785 1.00 0.00 S ATOM 229 CE MET A 20 2.328 2.497 -13.036 1.00 0.00 C ATOM 0 H MET A 20 2.655 2.636 -7.698 1.00 0.00 H new ATOM 0 HA MET A 20 -0.003 3.663 -8.452 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.793 3.324 -10.752 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.887 4.356 -9.853 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.378 2.390 -9.456 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.298 1.399 -10.416 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.780 2.585 -14.024 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.991 1.472 -12.882 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.476 3.173 -12.965 1.00 0.00 H new ATOM 239 N ILE A 21 -1.116 1.478 -8.700 1.00 0.00 N ATOM 240 CA ILE A 21 -1.808 0.199 -8.805 1.00 0.00 C ATOM 241 C ILE A 21 -2.728 0.171 -10.021 1.00 0.00 C ATOM 242 O ILE A 21 -3.588 1.033 -10.201 1.00 0.00 O ATOM 243 CB ILE A 21 -2.638 -0.097 -7.542 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.863 0.316 -6.288 1.00 0.00 C ATOM 245 CG2 ILE A 21 -3.004 -1.572 -7.482 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.706 -0.602 -5.963 1.00 0.00 C ATOM 0 H ILE A 21 -1.731 2.283 -8.582 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.041 -0.567 -8.914 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.559 0.484 -7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.485 1.330 -6.422 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.547 0.340 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.590 -1.765 -6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.590 -1.838 -8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.094 -2.172 -7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.203 -0.249 -5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.079 -1.613 -5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.001 -0.607 -6.794 1.00 0.00 H new ATOM 258 N PRO A 22 -2.545 -0.846 -10.877 1.00 0.00 N ATOM 259 CA PRO A 22 -3.350 -1.013 -12.091 1.00 0.00 C ATOM 260 C PRO A 22 -4.791 -1.405 -11.781 1.00 0.00 C ATOM 261 O PRO A 22 -5.048 -2.476 -11.231 1.00 0.00 O ATOM 262 CB PRO A 22 -2.637 -2.144 -12.836 1.00 0.00 C ATOM 263 CG PRO A 22 -1.934 -2.915 -11.773 1.00 0.00 C ATOM 264 CD PRO A 22 -1.538 -1.910 -10.726 1.00 0.00 C ATOM 0 HA PRO A 22 -3.424 -0.088 -12.662 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.346 -2.771 -13.376 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.934 -1.752 -13.571 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.584 -3.682 -11.352 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.059 -3.425 -12.175 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.557 -2.343 -9.726 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.528 -1.534 -10.891 1.00 0.00 H new ATOM 272 N ALA A 23 -5.727 -0.531 -12.137 1.00 0.00 N ATOM 273 CA ALA A 23 -7.142 -0.787 -11.899 1.00 0.00 C ATOM 274 C ALA A 23 -7.485 -2.251 -12.153 1.00 0.00 C ATOM 275 O ALA A 23 -8.424 -2.789 -11.567 1.00 0.00 O ATOM 276 CB ALA A 23 -7.996 0.116 -12.775 1.00 0.00 C ATOM 0 H ALA A 23 -5.530 0.361 -12.591 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.355 -0.567 -10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.050 -0.086 -12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.779 1.159 -12.543 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.771 -0.077 -13.824 1.00 0.00 H new ATOM 282 N SER A 24 -6.717 -2.891 -13.029 1.00 0.00 N ATOM 283 CA SER A 24 -6.943 -4.292 -13.364 1.00 0.00 C ATOM 284 C SER A 24 -6.708 -5.185 -12.149 1.00 0.00 C ATOM 285 O SER A 24 -7.565 -5.989 -11.779 1.00 0.00 O ATOM 286 CB SER A 24 -6.025 -4.719 -14.510 1.00 0.00 C ATOM 287 OG SER A 24 -6.395 -4.087 -15.723 1.00 0.00 O ATOM 0 H SER A 24 -5.933 -2.461 -13.520 1.00 0.00 H new ATOM 0 HA SER A 24 -7.981 -4.402 -13.679 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.993 -4.468 -14.266 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.070 -5.801 -14.632 1.00 0.00 H new ATOM 0 HG SER A 24 -5.792 -4.375 -16.439 1.00 0.00 H new ATOM 293 N LYS A 25 -5.541 -5.038 -11.532 1.00 0.00 N ATOM 294 CA LYS A 25 -5.191 -5.829 -10.358 1.00 0.00 C ATOM 295 C LYS A 25 -5.749 -5.195 -9.088 1.00 0.00 C ATOM 296 O LYS A 25 -5.599 -5.737 -7.994 1.00 0.00 O ATOM 297 CB LYS A 25 -3.671 -5.968 -10.246 1.00 0.00 C ATOM 298 CG LYS A 25 -3.012 -6.489 -11.511 1.00 0.00 C ATOM 299 CD LYS A 25 -2.979 -8.007 -11.537 1.00 0.00 C ATOM 300 CE LYS A 25 -2.510 -8.531 -12.886 1.00 0.00 C ATOM 301 NZ LYS A 25 -2.041 -9.942 -12.801 1.00 0.00 N ATOM 0 H LYS A 25 -4.821 -4.378 -11.825 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.633 -6.819 -10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.243 -4.997 -9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.436 -6.640 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.553 -6.121 -12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.996 -6.101 -11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.315 -8.371 -10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.973 -8.397 -11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.326 -8.462 -13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.702 -7.902 -13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.560 -10.202 -13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.379 -10.040 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.856 -10.570 -12.652 1.00 0.00 H new ATOM 315 N ALA A 26 -6.395 -4.043 -9.242 1.00 0.00 N ATOM 316 CA ALA A 26 -6.979 -3.338 -8.108 1.00 0.00 C ATOM 317 C ALA A 26 -8.162 -4.108 -7.532 1.00 0.00 C ATOM 318 O ALA A 26 -8.251 -4.317 -6.323 1.00 0.00 O ATOM 319 CB ALA A 26 -7.409 -1.938 -8.523 1.00 0.00 C ATOM 0 H ALA A 26 -6.527 -3.579 -10.141 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.219 -3.258 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.844 -1.422 -7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.542 -1.382 -8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.150 -2.006 -9.320 1.00 0.00 H new ATOM 325 N GLY A 27 -9.072 -4.528 -8.407 1.00 0.00 N ATOM 326 CA GLY A 27 -10.238 -5.270 -7.966 1.00 0.00 C ATOM 327 C GLY A 27 -9.872 -6.571 -7.279 1.00 0.00 C ATOM 328 O GLY A 27 -10.724 -7.223 -6.672 1.00 0.00 O ATOM 0 H GLY A 27 -9.022 -4.367 -9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.820 -4.653 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.875 -5.483 -8.824 1.00 0.00 H new ATOM 332 N LEU A 28 -8.603 -6.952 -7.374 1.00 0.00 N ATOM 333 CA LEU A 28 -8.126 -8.185 -6.757 1.00 0.00 C ATOM 334 C LEU A 28 -7.572 -7.917 -5.362 1.00 0.00 C ATOM 335 O LEU A 28 -7.918 -8.606 -4.402 1.00 0.00 O ATOM 336 CB LEU A 28 -7.049 -8.831 -7.631 1.00 0.00 C ATOM 337 CG LEU A 28 -7.523 -9.399 -8.969 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.564 -8.308 -10.028 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.620 -10.541 -9.413 1.00 0.00 C ATOM 0 H LEU A 28 -7.886 -6.425 -7.872 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.971 -8.868 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.275 -8.089 -7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.582 -9.635 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.533 -9.789 -8.839 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.904 -8.731 -10.973 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.251 -7.522 -9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.567 -7.888 -10.156 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.972 -10.933 -10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.599 -10.175 -9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.641 -11.333 -8.665 1.00 0.00 H new ATOM 351 N VAL A 29 -6.710 -6.910 -5.256 1.00 0.00 N ATOM 352 CA VAL A 29 -6.110 -6.549 -3.977 1.00 0.00 C ATOM 353 C VAL A 29 -7.113 -5.829 -3.083 1.00 0.00 C ATOM 354 O VAL A 29 -7.015 -5.880 -1.857 1.00 0.00 O ATOM 355 CB VAL A 29 -4.874 -5.650 -4.171 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.262 -4.350 -4.860 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.201 -5.375 -2.835 1.00 0.00 C ATOM 0 H VAL A 29 -6.412 -6.330 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.803 -7.479 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.162 -6.173 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.376 -3.728 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.695 -4.571 -5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.993 -3.819 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.330 -4.739 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.904 -4.872 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.887 -6.317 -2.385 1.00 0.00 H new ATOM 367 N ILE A 30 -8.078 -5.160 -3.705 1.00 0.00 N ATOM 368 CA ILE A 30 -9.101 -4.431 -2.966 1.00 0.00 C ATOM 369 C ILE A 30 -10.278 -5.336 -2.618 1.00 0.00 C ATOM 370 O ILE A 30 -10.815 -5.276 -1.513 1.00 0.00 O ATOM 371 CB ILE A 30 -9.617 -3.220 -3.765 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.457 -2.294 -4.137 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.667 -2.465 -2.963 1.00 0.00 C ATOM 374 CD1 ILE A 30 -8.890 -1.053 -4.885 1.00 0.00 C ATOM 0 H ILE A 30 -8.173 -5.108 -4.719 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.634 -4.077 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.079 -3.581 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.934 -1.996 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.744 -2.846 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.022 -1.612 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.504 -3.128 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.228 -2.113 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.016 -0.444 -5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.386 -1.341 -5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.580 -0.478 -4.267 1.00 0.00 H new ATOM 386 N GLY A 31 -10.673 -6.176 -3.570 1.00 0.00 N ATOM 387 CA GLY A 31 -11.783 -7.083 -3.345 1.00 0.00 C ATOM 388 C GLY A 31 -13.128 -6.396 -3.471 1.00 0.00 C ATOM 389 O GLY A 31 -13.204 -5.228 -3.852 1.00 0.00 O ATOM 0 H GLY A 31 -10.244 -6.244 -4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.729 -7.903 -4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.694 -7.521 -2.351 1.00 0.00 H new ATOM 393 N LYS A 32 -14.194 -7.123 -3.153 1.00 0.00 N ATOM 394 CA LYS A 32 -15.544 -6.578 -3.233 1.00 0.00 C ATOM 395 C LYS A 32 -15.855 -5.715 -2.014 1.00 0.00 C ATOM 396 O LYS A 32 -16.484 -6.173 -1.061 1.00 0.00 O ATOM 397 CB LYS A 32 -16.568 -7.710 -3.345 1.00 0.00 C ATOM 398 CG LYS A 32 -16.800 -8.181 -4.770 1.00 0.00 C ATOM 399 CD LYS A 32 -17.974 -9.142 -4.855 1.00 0.00 C ATOM 400 CE LYS A 32 -17.619 -10.508 -4.291 1.00 0.00 C ATOM 401 NZ LYS A 32 -18.831 -11.335 -4.035 1.00 0.00 N ATOM 0 H LYS A 32 -14.149 -8.092 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.604 -5.953 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.232 -8.554 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.515 -7.375 -2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.986 -7.321 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.900 -8.670 -5.144 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -18.822 -8.731 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.285 -9.246 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.964 -11.030 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -17.061 -10.384 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.546 -12.259 -3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.444 -10.849 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -19.350 -11.475 -4.925 1.00 0.00 H new ATOM 415 N GLY A 33 -15.412 -4.462 -2.053 1.00 0.00 N ATOM 416 CA GLY A 33 -15.655 -3.555 -0.946 1.00 0.00 C ATOM 417 C GLY A 33 -14.501 -3.518 0.037 1.00 0.00 C ATOM 418 O GLY A 33 -14.706 -3.588 1.248 1.00 0.00 O ATOM 0 H GLY A 33 -14.890 -4.059 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.830 -2.552 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.563 -3.858 -0.425 1.00 0.00 H new ATOM 422 N GLY A 34 -13.283 -3.409 -0.486 1.00 0.00 N ATOM 423 CA GLY A 34 -12.111 -3.366 0.368 1.00 0.00 C ATOM 424 C GLY A 34 -12.122 -4.454 1.423 1.00 0.00 C ATOM 425 O GLY A 34 -11.973 -4.176 2.612 1.00 0.00 O ATOM 0 H GLY A 34 -13.088 -3.350 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.215 -3.467 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.056 -2.392 0.855 1.00 0.00 H new ATOM 429 N GLU A 35 -12.301 -5.698 0.987 1.00 0.00 N ATOM 430 CA GLU A 35 -12.334 -6.831 1.904 1.00 0.00 C ATOM 431 C GLU A 35 -10.944 -7.438 2.069 1.00 0.00 C ATOM 432 O GLU A 35 -10.565 -7.865 3.160 1.00 0.00 O ATOM 433 CB GLU A 35 -13.312 -7.895 1.400 1.00 0.00 C ATOM 434 CG GLU A 35 -13.866 -8.783 2.502 1.00 0.00 C ATOM 435 CD GLU A 35 -12.934 -9.927 2.853 1.00 0.00 C ATOM 436 OE1 GLU A 35 -12.487 -10.633 1.925 1.00 0.00 O ATOM 437 OE2 GLU A 35 -12.652 -10.116 4.054 1.00 0.00 O ATOM 0 H GLU A 35 -12.425 -5.946 0.005 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.671 -6.470 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.140 -7.403 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.809 -8.518 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.047 -8.181 3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.829 -9.187 2.189 1.00 0.00 H new ATOM 444 N THR A 36 -10.187 -7.474 0.976 1.00 0.00 N ATOM 445 CA THR A 36 -8.840 -8.030 0.998 1.00 0.00 C ATOM 446 C THR A 36 -7.830 -7.005 1.500 1.00 0.00 C ATOM 447 O THR A 36 -7.140 -7.235 2.493 1.00 0.00 O ATOM 448 CB THR A 36 -8.411 -8.515 -0.400 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.286 -9.556 -0.848 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.977 -9.025 -0.379 1.00 0.00 C ATOM 0 H THR A 36 -10.484 -7.125 0.065 1.00 0.00 H new ATOM 0 HA THR A 36 -8.859 -8.880 1.680 1.00 0.00 H new ATOM 0 HB THR A 36 -8.470 -7.671 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.007 -9.857 -1.738 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.696 -9.362 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.310 -8.222 -0.066 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.897 -9.857 0.321 1.00 0.00 H new ATOM 458 N ILE A 37 -7.749 -5.873 0.809 1.00 0.00 N ATOM 459 CA ILE A 37 -6.824 -4.812 1.187 1.00 0.00 C ATOM 460 C ILE A 37 -6.959 -4.466 2.666 1.00 0.00 C ATOM 461 O ILE A 37 -5.992 -4.060 3.311 1.00 0.00 O ATOM 462 CB ILE A 37 -7.054 -3.539 0.351 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.204 -2.388 0.890 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.529 -3.163 0.354 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.537 -1.049 0.270 1.00 0.00 C ATOM 0 H ILE A 37 -8.313 -5.667 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.819 -5.187 0.994 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.752 -3.738 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.338 -2.323 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.152 -2.610 0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.676 -2.262 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.113 -3.978 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.856 -2.979 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.895 -0.280 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.376 -1.096 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.580 -0.805 0.470 1.00 0.00 H new ATOM 477 N LYS A 38 -8.165 -4.632 3.199 1.00 0.00 N ATOM 478 CA LYS A 38 -8.428 -4.341 4.603 1.00 0.00 C ATOM 479 C LYS A 38 -7.630 -5.271 5.511 1.00 0.00 C ATOM 480 O LYS A 38 -7.100 -4.847 6.537 1.00 0.00 O ATOM 481 CB LYS A 38 -9.923 -4.478 4.902 1.00 0.00 C ATOM 482 CG LYS A 38 -10.297 -4.087 6.321 1.00 0.00 C ATOM 483 CD LYS A 38 -11.797 -4.179 6.548 1.00 0.00 C ATOM 484 CE LYS A 38 -12.233 -3.341 7.740 1.00 0.00 C ATOM 485 NZ LYS A 38 -13.648 -3.609 8.118 1.00 0.00 N ATOM 0 H LYS A 38 -8.976 -4.967 2.679 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.116 -3.315 4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.483 -3.857 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.227 -5.510 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.781 -4.738 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.960 -3.070 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.323 -3.843 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.078 -5.219 6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.584 -3.553 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.114 -2.284 7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.907 -3.019 8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.270 -3.383 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.756 -4.613 8.368 1.00 0.00 H new ATOM 499 N GLN A 39 -7.548 -6.540 5.124 1.00 0.00 N ATOM 500 CA GLN A 39 -6.813 -7.530 5.903 1.00 0.00 C ATOM 501 C GLN A 39 -5.308 -7.334 5.751 1.00 0.00 C ATOM 502 O GLN A 39 -4.534 -7.670 6.649 1.00 0.00 O ATOM 503 CB GLN A 39 -7.202 -8.944 5.469 1.00 0.00 C ATOM 504 CG GLN A 39 -8.538 -9.406 6.028 1.00 0.00 C ATOM 505 CD GLN A 39 -8.408 -10.040 7.399 1.00 0.00 C ATOM 506 OE1 GLN A 39 -8.302 -11.261 7.524 1.00 0.00 O ATOM 507 NE2 GLN A 39 -8.416 -9.213 8.438 1.00 0.00 N ATOM 0 H GLN A 39 -7.981 -6.907 4.276 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.074 -7.396 6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.240 -8.983 4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.425 -9.639 5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.216 -8.555 6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.987 -10.123 5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.506 -8.208 8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.332 -9.583 9.385 1.00 0.00 H new ATOM 516 N LEU A 40 -4.900 -6.789 4.611 1.00 0.00 N ATOM 517 CA LEU A 40 -3.487 -6.549 4.341 1.00 0.00 C ATOM 518 C LEU A 40 -2.914 -5.521 5.312 1.00 0.00 C ATOM 519 O LEU A 40 -1.708 -5.490 5.556 1.00 0.00 O ATOM 520 CB LEU A 40 -3.297 -6.067 2.901 1.00 0.00 C ATOM 521 CG LEU A 40 -3.283 -7.155 1.826 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.368 -6.536 0.440 1.00 0.00 C ATOM 523 CD2 LEU A 40 -2.033 -8.013 1.953 1.00 0.00 C ATOM 0 H LEU A 40 -5.527 -6.505 3.859 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.952 -7.489 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.095 -5.363 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.358 -5.516 2.844 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.154 -7.794 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.357 -7.325 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.292 -5.965 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.516 -5.874 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.039 -8.782 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.149 -7.387 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.014 -8.486 2.935 1.00 0.00 H new ATOM 535 N GLN A 41 -3.787 -4.685 5.864 1.00 0.00 N ATOM 536 CA GLN A 41 -3.367 -3.658 6.810 1.00 0.00 C ATOM 537 C GLN A 41 -2.837 -4.286 8.095 1.00 0.00 C ATOM 538 O GLN A 41 -1.965 -3.724 8.757 1.00 0.00 O ATOM 539 CB GLN A 41 -4.533 -2.721 7.129 1.00 0.00 C ATOM 540 CG GLN A 41 -4.955 -1.853 5.954 1.00 0.00 C ATOM 541 CD GLN A 41 -6.079 -0.899 6.308 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.296 -0.583 7.478 1.00 0.00 O ATOM 543 NE2 GLN A 41 -6.802 -0.435 5.295 1.00 0.00 N ATOM 0 H GLN A 41 -4.789 -4.698 5.673 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.564 -3.083 6.350 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.386 -3.315 7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.254 -2.078 7.963 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.096 -1.282 5.602 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.272 -2.492 5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.587 -0.724 4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.572 0.210 5.471 1.00 0.00 H new ATOM 552 N GLU A 42 -3.371 -5.453 8.442 1.00 0.00 N ATOM 553 CA GLU A 42 -2.952 -6.155 9.649 1.00 0.00 C ATOM 554 C GLU A 42 -1.659 -6.930 9.407 1.00 0.00 C ATOM 555 O GLU A 42 -0.733 -6.882 10.217 1.00 0.00 O ATOM 556 CB GLU A 42 -4.051 -7.110 10.118 1.00 0.00 C ATOM 557 CG GLU A 42 -5.313 -6.404 10.583 1.00 0.00 C ATOM 558 CD GLU A 42 -6.187 -7.284 11.455 1.00 0.00 C ATOM 559 OE1 GLU A 42 -5.667 -8.276 12.007 1.00 0.00 O ATOM 560 OE2 GLU A 42 -7.391 -6.980 11.586 1.00 0.00 O ATOM 0 H GLU A 42 -4.094 -5.932 7.905 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.770 -5.412 10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.304 -7.788 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.665 -7.722 10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.039 -5.507 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.884 -6.079 9.713 1.00 0.00 H new ATOM 567 N ARG A 43 -1.605 -7.643 8.287 1.00 0.00 N ATOM 568 CA ARG A 43 -0.428 -8.430 7.938 1.00 0.00 C ATOM 569 C ARG A 43 0.841 -7.591 8.059 1.00 0.00 C ATOM 570 O ARG A 43 1.895 -8.095 8.447 1.00 0.00 O ATOM 571 CB ARG A 43 -0.557 -8.977 6.516 1.00 0.00 C ATOM 572 CG ARG A 43 -1.419 -10.226 6.420 1.00 0.00 C ATOM 573 CD ARG A 43 -0.627 -11.478 6.760 1.00 0.00 C ATOM 574 NE ARG A 43 -1.477 -12.533 7.305 1.00 0.00 N ATOM 575 CZ ARG A 43 -1.006 -13.616 7.913 1.00 0.00 C ATOM 576 NH1 ARG A 43 0.301 -13.785 8.054 1.00 0.00 N ATOM 577 NH2 ARG A 43 -1.844 -14.532 8.382 1.00 0.00 N ATOM 0 H ARG A 43 -2.362 -7.692 7.606 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.360 -9.265 8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.980 -8.203 5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.437 -9.202 6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.268 -10.136 7.098 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.824 -10.313 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.125 -11.844 5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.151 -11.230 7.482 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.488 -12.433 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.948 -13.083 7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.660 -14.618 8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.850 -14.405 8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.482 -15.363 8.849 1.00 0.00 H new ATOM 591 N ALA A 44 0.732 -6.310 7.723 1.00 0.00 N ATOM 592 CA ALA A 44 1.870 -5.402 7.795 1.00 0.00 C ATOM 593 C ALA A 44 1.718 -4.422 8.953 1.00 0.00 C ATOM 594 O ALA A 44 2.706 -3.931 9.497 1.00 0.00 O ATOM 595 CB ALA A 44 2.028 -4.649 6.482 1.00 0.00 C ATOM 0 H ALA A 44 -0.133 -5.878 7.398 1.00 0.00 H new ATOM 0 HA ALA A 44 2.767 -5.996 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.882 -3.974 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.191 -5.360 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.125 -4.072 6.282 1.00 0.00 H new ATOM 601 N GLY A 45 0.473 -4.141 9.326 1.00 0.00 N ATOM 602 CA GLY A 45 0.215 -3.220 10.417 1.00 0.00 C ATOM 603 C GLY A 45 0.196 -1.774 9.964 1.00 0.00 C ATOM 604 O GLY A 45 0.610 -0.879 10.701 1.00 0.00 O ATOM 0 H GLY A 45 -0.362 -4.535 8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.742 -3.466 10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.979 -3.347 11.184 1.00 0.00 H new ATOM 608 N VAL A 46 -0.283 -1.544 8.745 1.00 0.00 N ATOM 609 CA VAL A 46 -0.353 -0.196 8.194 1.00 0.00 C ATOM 610 C VAL A 46 -1.718 0.072 7.569 1.00 0.00 C ATOM 611 O VAL A 46 -2.461 -0.857 7.252 1.00 0.00 O ATOM 612 CB VAL A 46 0.739 0.034 7.133 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.122 -0.118 7.748 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.558 -0.925 5.966 1.00 0.00 C ATOM 0 H VAL A 46 -0.628 -2.273 8.121 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.194 0.493 9.023 1.00 0.00 H new ATOM 0 HB VAL A 46 0.645 1.052 6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.881 0.048 6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.247 0.612 8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.231 -1.123 8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.338 -0.748 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.624 -1.952 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.419 -0.763 5.510 1.00 0.00 H new ATOM 624 N LYS A 47 -2.042 1.348 7.394 1.00 0.00 N ATOM 625 CA LYS A 47 -3.317 1.741 6.805 1.00 0.00 C ATOM 626 C LYS A 47 -3.189 1.910 5.294 1.00 0.00 C ATOM 627 O LYS A 47 -2.423 2.747 4.817 1.00 0.00 O ATOM 628 CB LYS A 47 -3.813 3.044 7.435 1.00 0.00 C ATOM 629 CG LYS A 47 -5.327 3.169 7.460 1.00 0.00 C ATOM 630 CD LYS A 47 -5.764 4.610 7.664 1.00 0.00 C ATOM 631 CE LYS A 47 -7.214 4.816 7.253 1.00 0.00 C ATOM 632 NZ LYS A 47 -7.717 6.160 7.650 1.00 0.00 N ATOM 0 H LYS A 47 -1.439 2.129 7.652 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.040 0.950 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.434 3.112 8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.396 3.886 6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.740 2.792 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.731 2.549 8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.639 4.884 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.122 5.272 7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.306 4.698 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.834 4.046 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.708 6.262 7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.653 6.263 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.141 6.895 7.192 1.00 0.00 H new ATOM 646 N MET A 48 -3.944 1.111 4.548 1.00 0.00 N ATOM 647 CA MET A 48 -3.917 1.176 3.091 1.00 0.00 C ATOM 648 C MET A 48 -5.140 1.914 2.556 1.00 0.00 C ATOM 649 O MET A 48 -6.265 1.424 2.654 1.00 0.00 O ATOM 650 CB MET A 48 -3.857 -0.233 2.498 1.00 0.00 C ATOM 651 CG MET A 48 -2.507 -0.910 2.674 1.00 0.00 C ATOM 652 SD MET A 48 -2.544 -2.657 2.230 1.00 0.00 S ATOM 653 CE MET A 48 -0.882 -3.155 2.676 1.00 0.00 C ATOM 0 H MET A 48 -4.582 0.411 4.928 1.00 0.00 H new ATOM 0 HA MET A 48 -3.025 1.726 2.793 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.626 -0.848 2.965 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.092 -0.181 1.435 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.766 -0.399 2.060 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.187 -0.809 3.711 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.684 -4.153 2.285 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.165 -2.451 2.254 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.784 -3.165 3.762 1.00 0.00 H new ATOM 663 N VAL A 49 -4.912 3.095 1.991 1.00 0.00 N ATOM 664 CA VAL A 49 -5.995 3.901 1.440 1.00 0.00 C ATOM 665 C VAL A 49 -5.762 4.199 -0.037 1.00 0.00 C ATOM 666 O VAL A 49 -4.794 4.866 -0.400 1.00 0.00 O ATOM 667 CB VAL A 49 -6.151 5.230 2.203 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.228 6.091 1.561 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.467 4.969 3.668 1.00 0.00 C ATOM 0 H VAL A 49 -3.987 3.515 1.903 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.910 3.319 1.550 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.207 5.773 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.324 7.026 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.954 6.307 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.179 5.559 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.574 5.919 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.397 4.406 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.657 4.395 4.118 1.00 0.00 H new ATOM 679 N MET A 50 -6.657 3.700 -0.884 1.00 0.00 N ATOM 680 CA MET A 50 -6.549 3.915 -2.322 1.00 0.00 C ATOM 681 C MET A 50 -7.024 5.315 -2.700 1.00 0.00 C ATOM 682 O MET A 50 -8.135 5.717 -2.354 1.00 0.00 O ATOM 683 CB MET A 50 -7.365 2.865 -3.079 1.00 0.00 C ATOM 684 CG MET A 50 -6.699 1.500 -3.133 1.00 0.00 C ATOM 685 SD MET A 50 -5.624 1.308 -4.568 1.00 0.00 S ATOM 686 CE MET A 50 -5.295 -0.451 -4.511 1.00 0.00 C ATOM 0 H MET A 50 -7.464 3.145 -0.599 1.00 0.00 H new ATOM 0 HA MET A 50 -5.500 3.819 -2.601 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.342 2.765 -2.605 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.539 3.216 -4.096 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.116 1.348 -2.224 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.466 0.726 -3.153 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.260 -0.618 -4.212 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.962 -0.923 -3.789 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.463 -0.885 -5.497 1.00 0.00 H new ATOM 696 N ILE A 51 -6.176 6.051 -3.410 1.00 0.00 N ATOM 697 CA ILE A 51 -6.510 7.404 -3.835 1.00 0.00 C ATOM 698 C ILE A 51 -7.100 7.410 -5.241 1.00 0.00 C ATOM 699 O ILE A 51 -6.376 7.285 -6.228 1.00 0.00 O ATOM 700 CB ILE A 51 -5.276 8.325 -3.805 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.606 8.272 -2.430 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.671 9.752 -4.152 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.514 8.700 -1.299 1.00 0.00 C ATOM 0 H ILE A 51 -5.252 5.733 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.252 7.781 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.562 7.975 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.260 7.256 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.724 8.913 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.788 10.390 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.107 9.776 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.401 10.114 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.973 8.637 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.840 9.727 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.384 8.044 -1.263 1.00 0.00 H new ATOM 715 N GLN A 52 -8.419 7.556 -5.323 1.00 0.00 N ATOM 716 CA GLN A 52 -9.106 7.579 -6.609 1.00 0.00 C ATOM 717 C GLN A 52 -9.706 8.954 -6.881 1.00 0.00 C ATOM 718 O GLN A 52 -10.842 9.233 -6.499 1.00 0.00 O ATOM 719 CB GLN A 52 -10.204 6.514 -6.643 1.00 0.00 C ATOM 720 CG GLN A 52 -10.670 6.166 -8.047 1.00 0.00 C ATOM 721 CD GLN A 52 -11.340 4.808 -8.120 1.00 0.00 C ATOM 722 OE1 GLN A 52 -11.197 3.983 -7.217 1.00 0.00 O ATOM 723 NE2 GLN A 52 -12.078 4.569 -9.198 1.00 0.00 N ATOM 0 H GLN A 52 -9.032 7.660 -4.515 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.375 7.362 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.837 5.610 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.057 6.865 -6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.366 6.929 -8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.816 6.182 -8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.169 5.282 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.554 3.673 -9.302 1.00 0.00 H new ATOM 732 N ASP A 53 -8.935 9.810 -7.544 1.00 0.00 N ATOM 733 CA ASP A 53 -9.391 11.156 -7.868 1.00 0.00 C ATOM 734 C ASP A 53 -9.971 11.209 -9.278 1.00 0.00 C ATOM 735 O ASP A 53 -11.133 11.566 -9.469 1.00 0.00 O ATOM 736 CB ASP A 53 -8.237 12.152 -7.741 1.00 0.00 C ATOM 737 CG ASP A 53 -8.032 12.622 -6.314 1.00 0.00 C ATOM 738 OD1 ASP A 53 -7.866 11.761 -5.424 1.00 0.00 O ATOM 739 OD2 ASP A 53 -8.037 13.850 -6.088 1.00 0.00 O ATOM 0 H ASP A 53 -7.992 9.595 -7.867 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.175 11.427 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.319 11.688 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.432 13.013 -8.380 1.00 0.00 H new ATOM 744 N GLY A 54 -9.154 10.851 -10.263 1.00 0.00 N ATOM 745 CA GLY A 54 -9.603 10.865 -11.643 1.00 0.00 C ATOM 746 C GLY A 54 -8.496 11.234 -12.610 1.00 0.00 C ATOM 747 O GLY A 54 -8.412 12.366 -13.088 1.00 0.00 O ATOM 0 H GLY A 54 -8.188 10.551 -10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.996 9.882 -11.904 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.424 11.575 -11.747 1.00 0.00 H new ATOM 751 N PRO A 55 -7.620 10.264 -12.911 1.00 0.00 N ATOM 752 CA PRO A 55 -6.496 10.469 -13.829 1.00 0.00 C ATOM 753 C PRO A 55 -6.951 10.641 -15.274 1.00 0.00 C ATOM 754 O PRO A 55 -7.556 9.740 -15.854 1.00 0.00 O ATOM 755 CB PRO A 55 -5.674 9.187 -13.676 1.00 0.00 C ATOM 756 CG PRO A 55 -6.655 8.161 -13.224 1.00 0.00 C ATOM 757 CD PRO A 55 -7.660 8.892 -12.378 1.00 0.00 C ATOM 0 HA PRO A 55 -5.941 11.378 -13.596 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.207 8.901 -14.619 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.872 9.315 -12.949 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.137 7.681 -14.075 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.162 7.375 -12.652 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.654 8.455 -12.467 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.393 8.863 -11.322 1.00 0.00 H new ATOM 765 N GLN A 56 -6.656 11.802 -15.849 1.00 0.00 N ATOM 766 CA GLN A 56 -7.036 12.091 -17.227 1.00 0.00 C ATOM 767 C GLN A 56 -5.911 11.726 -18.189 1.00 0.00 C ATOM 768 O GLN A 56 -6.071 10.859 -19.047 1.00 0.00 O ATOM 769 CB GLN A 56 -7.396 13.569 -17.380 1.00 0.00 C ATOM 770 CG GLN A 56 -7.841 13.945 -18.784 1.00 0.00 C ATOM 771 CD GLN A 56 -9.317 13.684 -19.017 1.00 0.00 C ATOM 772 OE1 GLN A 56 -9.892 12.754 -18.451 1.00 0.00 O ATOM 773 NE2 GLN A 56 -9.938 14.506 -19.855 1.00 0.00 N ATOM 0 H GLN A 56 -6.155 12.558 -15.382 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.909 11.486 -17.472 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -8.192 13.815 -16.677 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.532 14.175 -17.107 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.630 15.000 -18.958 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.257 13.380 -19.510 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.422 15.264 -20.302 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.931 14.379 -20.052 1.00 0.00 H new ATOM 782 N ASN A 57 -4.772 12.396 -18.041 1.00 0.00 N ATOM 783 CA ASN A 57 -3.620 12.143 -18.898 1.00 0.00 C ATOM 784 C ASN A 57 -2.680 11.124 -18.260 1.00 0.00 C ATOM 785 O ASN A 57 -1.825 10.545 -18.931 1.00 0.00 O ATOM 786 CB ASN A 57 -2.867 13.446 -19.174 1.00 0.00 C ATOM 787 CG ASN A 57 -3.667 14.405 -20.034 1.00 0.00 C ATOM 788 OD1 ASN A 57 -4.319 15.316 -19.524 1.00 0.00 O ATOM 789 ND2 ASN A 57 -3.619 14.204 -21.345 1.00 0.00 N ATOM 0 H ASN A 57 -4.623 13.118 -17.336 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.983 11.735 -19.841 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.622 13.929 -18.228 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.923 13.219 -19.669 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.136 14.818 -21.974 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.065 13.436 -21.723 1.00 0.00 H new ATOM 796 N THR A 58 -2.845 10.909 -16.959 1.00 0.00 N ATOM 797 CA THR A 58 -2.012 9.962 -16.229 1.00 0.00 C ATOM 798 C THR A 58 -2.318 8.527 -16.644 1.00 0.00 C ATOM 799 O THR A 58 -3.479 8.143 -16.776 1.00 0.00 O ATOM 800 CB THR A 58 -2.208 10.097 -14.707 1.00 0.00 C ATOM 801 OG1 THR A 58 -1.951 11.445 -14.298 1.00 0.00 O ATOM 802 CG2 THR A 58 -1.285 9.149 -13.956 1.00 0.00 C ATOM 0 H THR A 58 -3.549 11.378 -16.389 1.00 0.00 H new ATOM 0 HA THR A 58 -0.977 10.196 -16.476 1.00 0.00 H new ATOM 0 HB THR A 58 -3.240 9.836 -14.471 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.079 11.523 -13.330 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.442 9.262 -12.883 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.503 8.122 -14.248 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.248 9.383 -14.198 1.00 0.00 H new ATOM 810 N GLY A 59 -1.268 7.738 -16.849 1.00 0.00 N ATOM 811 CA GLY A 59 -1.446 6.354 -17.246 1.00 0.00 C ATOM 812 C GLY A 59 -2.538 5.660 -16.456 1.00 0.00 C ATOM 813 O GLY A 59 -2.675 5.875 -15.252 1.00 0.00 O ATOM 0 H GLY A 59 -0.297 8.033 -16.747 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.688 6.312 -18.308 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.507 5.817 -17.111 1.00 0.00 H new ATOM 817 N ALA A 60 -3.319 4.825 -17.135 1.00 0.00 N ATOM 818 CA ALA A 60 -4.404 4.098 -16.489 1.00 0.00 C ATOM 819 C ALA A 60 -3.917 3.393 -15.227 1.00 0.00 C ATOM 820 O ALA A 60 -3.468 2.248 -15.278 1.00 0.00 O ATOM 821 CB ALA A 60 -5.014 3.093 -17.454 1.00 0.00 C ATOM 0 H ALA A 60 -3.220 4.636 -18.132 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.169 4.818 -16.200 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.823 2.557 -16.958 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.407 3.617 -18.325 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.250 2.383 -17.771 1.00 0.00 H new ATOM 827 N ASP A 61 -4.008 4.085 -14.096 1.00 0.00 N ATOM 828 CA ASP A 61 -3.577 3.525 -12.821 1.00 0.00 C ATOM 829 C ASP A 61 -4.167 4.311 -11.655 1.00 0.00 C ATOM 830 O ASP A 61 -4.675 5.418 -11.832 1.00 0.00 O ATOM 831 CB ASP A 61 -2.050 3.523 -12.730 1.00 0.00 C ATOM 832 CG ASP A 61 -1.488 4.889 -12.391 1.00 0.00 C ATOM 833 OD1 ASP A 61 -1.353 5.193 -11.188 1.00 0.00 O ATOM 834 OD2 ASP A 61 -1.185 5.656 -13.329 1.00 0.00 O ATOM 0 H ASP A 61 -4.376 5.034 -14.037 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.938 2.498 -12.763 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.735 2.806 -11.972 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.633 3.187 -13.679 1.00 0.00 H new ATOM 839 N LYS A 62 -4.097 3.732 -10.461 1.00 0.00 N ATOM 840 CA LYS A 62 -4.623 4.378 -9.264 1.00 0.00 C ATOM 841 C LYS A 62 -3.565 4.438 -8.168 1.00 0.00 C ATOM 842 O LYS A 62 -3.055 3.416 -7.707 1.00 0.00 O ATOM 843 CB LYS A 62 -5.857 3.628 -8.756 1.00 0.00 C ATOM 844 CG LYS A 62 -6.824 3.231 -9.858 1.00 0.00 C ATOM 845 CD LYS A 62 -7.860 4.314 -10.108 1.00 0.00 C ATOM 846 CE LYS A 62 -8.430 4.226 -11.515 1.00 0.00 C ATOM 847 NZ LYS A 62 -7.642 5.037 -12.484 1.00 0.00 N ATOM 0 H LYS A 62 -3.681 2.816 -10.296 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.907 5.397 -9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.534 2.731 -8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.380 4.254 -8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.270 3.037 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.326 2.302 -9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.667 4.222 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.407 5.294 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.442 3.185 -11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.464 4.570 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.653 4.573 -13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.061 5.985 -12.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.660 5.120 -12.150 1.00 0.00 H new ATOM 861 N PRO A 63 -3.226 5.662 -7.738 1.00 0.00 N ATOM 862 CA PRO A 63 -2.226 5.884 -6.689 1.00 0.00 C ATOM 863 C PRO A 63 -2.715 5.431 -5.317 1.00 0.00 C ATOM 864 O PRO A 63 -3.675 5.980 -4.776 1.00 0.00 O ATOM 865 CB PRO A 63 -2.022 7.401 -6.709 1.00 0.00 C ATOM 866 CG PRO A 63 -3.294 7.948 -7.260 1.00 0.00 C ATOM 867 CD PRO A 63 -3.793 6.924 -8.242 1.00 0.00 C ATOM 0 HA PRO A 63 -1.314 5.315 -6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.826 7.787 -5.709 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.170 7.678 -7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.023 8.116 -6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.127 8.908 -7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.882 6.892 -8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.454 7.140 -9.255 1.00 0.00 H new ATOM 875 N LEU A 64 -2.048 4.426 -4.760 1.00 0.00 N ATOM 876 CA LEU A 64 -2.414 3.899 -3.450 1.00 0.00 C ATOM 877 C LEU A 64 -1.532 4.494 -2.357 1.00 0.00 C ATOM 878 O LEU A 64 -0.306 4.397 -2.414 1.00 0.00 O ATOM 879 CB LEU A 64 -2.297 2.374 -3.441 1.00 0.00 C ATOM 880 CG LEU A 64 -1.952 1.735 -2.095 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.117 1.868 -1.127 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.576 0.272 -2.280 1.00 0.00 C ATOM 0 H LEU A 64 -1.252 3.960 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.448 4.180 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.242 1.955 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.535 2.084 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.094 2.260 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.853 1.408 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.341 2.923 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.993 1.369 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.334 -0.167 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.414 -0.266 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.710 0.199 -2.938 1.00 0.00 H new ATOM 894 N ARG A 65 -2.165 5.108 -1.362 1.00 0.00 N ATOM 895 CA ARG A 65 -1.438 5.719 -0.256 1.00 0.00 C ATOM 896 C ARG A 65 -1.372 4.772 0.939 1.00 0.00 C ATOM 897 O ARG A 65 -2.401 4.328 1.449 1.00 0.00 O ATOM 898 CB ARG A 65 -2.103 7.033 0.157 1.00 0.00 C ATOM 899 CG ARG A 65 -1.150 8.018 0.813 1.00 0.00 C ATOM 900 CD ARG A 65 -1.903 9.101 1.571 1.00 0.00 C ATOM 901 NE ARG A 65 -1.008 9.927 2.376 1.00 0.00 N ATOM 902 CZ ARG A 65 -1.430 10.768 3.314 1.00 0.00 C ATOM 903 NH1 ARG A 65 -2.727 10.893 3.563 1.00 0.00 N ATOM 904 NH2 ARG A 65 -0.555 11.486 4.006 1.00 0.00 N ATOM 0 H ARG A 65 -3.179 5.195 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.422 5.925 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.545 7.499 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.919 6.816 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.489 7.486 1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.519 8.477 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.440 9.732 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.650 8.639 2.217 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.004 9.855 2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.403 10.343 3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.048 11.539 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.443 11.393 3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.880 12.131 4.726 1.00 0.00 H new ATOM 918 N ILE A 66 -0.156 4.468 1.380 1.00 0.00 N ATOM 919 CA ILE A 66 0.043 3.575 2.515 1.00 0.00 C ATOM 920 C ILE A 66 0.641 4.321 3.703 1.00 0.00 C ATOM 921 O ILE A 66 1.831 4.640 3.715 1.00 0.00 O ATOM 922 CB ILE A 66 0.962 2.395 2.148 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.326 1.549 1.043 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.247 1.544 3.377 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.039 0.237 0.800 1.00 0.00 C ATOM 0 H ILE A 66 0.706 4.827 0.969 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.939 3.189 2.789 1.00 0.00 H new ATOM 0 HB ILE A 66 1.907 2.791 1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.712 1.346 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.315 2.124 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.898 0.714 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.738 2.154 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.310 1.154 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.533 -0.310 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.071 0.432 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.027 -0.358 1.713 1.00 0.00 H new ATOM 937 N THR A 67 -0.191 4.594 4.703 1.00 0.00 N ATOM 938 CA THR A 67 0.255 5.302 5.897 1.00 0.00 C ATOM 939 C THR A 67 0.461 4.340 7.061 1.00 0.00 C ATOM 940 O THR A 67 -0.180 3.292 7.135 1.00 0.00 O ATOM 941 CB THR A 67 -0.753 6.388 6.315 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.080 5.990 5.956 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.421 7.718 5.654 1.00 0.00 C ATOM 0 H THR A 67 -1.178 4.336 4.710 1.00 0.00 H new ATOM 0 HA THR A 67 1.205 5.775 5.648 1.00 0.00 H new ATOM 0 HB THR A 67 -0.692 6.512 7.396 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.715 6.686 6.227 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.147 8.470 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.579 8.033 5.953 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.457 7.605 4.570 1.00 0.00 H new ATOM 951 N GLY A 68 1.360 4.703 7.971 1.00 0.00 N ATOM 952 CA GLY A 68 1.633 3.861 9.121 1.00 0.00 C ATOM 953 C GLY A 68 3.006 4.114 9.712 1.00 0.00 C ATOM 954 O GLY A 68 3.239 5.149 10.337 1.00 0.00 O ATOM 0 H GLY A 68 1.904 5.565 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.875 4.036 9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.554 2.814 8.828 1.00 0.00 H new ATOM 958 N ASP A 69 3.916 3.167 9.517 1.00 0.00 N ATOM 959 CA ASP A 69 5.273 3.292 10.036 1.00 0.00 C ATOM 960 C ASP A 69 6.296 3.212 8.907 1.00 0.00 C ATOM 961 O ASP A 69 6.028 2.680 7.830 1.00 0.00 O ATOM 962 CB ASP A 69 5.549 2.199 11.070 1.00 0.00 C ATOM 963 CG ASP A 69 5.216 2.641 12.482 1.00 0.00 C ATOM 964 OD1 ASP A 69 4.052 2.464 12.900 1.00 0.00 O ATOM 965 OD2 ASP A 69 6.119 3.161 13.169 1.00 0.00 O ATOM 0 H ASP A 69 3.739 2.304 9.003 1.00 0.00 H new ATOM 0 HA ASP A 69 5.364 4.266 10.516 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.965 1.313 10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.599 1.913 11.020 1.00 0.00 H new ATOM 970 N PRO A 70 7.497 3.755 9.157 1.00 0.00 N ATOM 971 CA PRO A 70 8.585 3.758 8.174 1.00 0.00 C ATOM 972 C PRO A 70 9.155 2.363 7.936 1.00 0.00 C ATOM 973 O PRO A 70 9.647 2.061 6.849 1.00 0.00 O ATOM 974 CB PRO A 70 9.639 4.664 8.814 1.00 0.00 C ATOM 975 CG PRO A 70 9.373 4.580 10.277 1.00 0.00 C ATOM 976 CD PRO A 70 7.887 4.406 10.419 1.00 0.00 C ATOM 0 HA PRO A 70 8.249 4.099 7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.648 4.328 8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.551 5.689 8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.908 3.742 10.723 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.711 5.482 10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.635 3.791 11.283 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.381 5.363 10.551 1.00 0.00 H new ATOM 984 N TYR A 71 9.085 1.519 8.959 1.00 0.00 N ATOM 985 CA TYR A 71 9.597 0.156 8.861 1.00 0.00 C ATOM 986 C TYR A 71 8.503 -0.805 8.405 1.00 0.00 C ATOM 987 O TYR A 71 8.785 -1.877 7.870 1.00 0.00 O ATOM 988 CB TYR A 71 10.160 -0.297 10.209 1.00 0.00 C ATOM 989 CG TYR A 71 10.619 -1.738 10.219 1.00 0.00 C ATOM 990 CD1 TYR A 71 11.053 -2.358 9.054 1.00 0.00 C ATOM 991 CD2 TYR A 71 10.617 -2.479 11.394 1.00 0.00 C ATOM 992 CE1 TYR A 71 11.472 -3.674 9.058 1.00 0.00 C ATOM 993 CE2 TYR A 71 11.036 -3.796 11.408 1.00 0.00 C ATOM 994 CZ TYR A 71 11.462 -4.389 10.238 1.00 0.00 C ATOM 995 OH TYR A 71 11.879 -5.700 10.248 1.00 0.00 O ATOM 0 H TYR A 71 8.679 1.753 9.865 1.00 0.00 H new ATOM 0 HA TYR A 71 10.396 0.147 8.119 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.999 0.345 10.477 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.397 -0.162 10.976 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.063 -1.801 8.129 1.00 0.00 H new ATOM 0 HD2 TYR A 71 10.282 -2.018 12.312 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.806 -4.141 8.143 1.00 0.00 H new ATOM 0 HE2 TYR A 71 11.030 -4.358 12.330 1.00 0.00 H new ATOM 0 HH TYR A 71 11.811 -6.058 11.158 1.00 0.00 H new ATOM 1005 N LYS A 72 7.252 -0.412 8.620 1.00 0.00 N ATOM 1006 CA LYS A 72 6.113 -1.235 8.230 1.00 0.00 C ATOM 1007 C LYS A 72 5.627 -0.865 6.833 1.00 0.00 C ATOM 1008 O LYS A 72 5.538 -1.718 5.950 1.00 0.00 O ATOM 1009 CB LYS A 72 4.973 -1.073 9.238 1.00 0.00 C ATOM 1010 CG LYS A 72 5.381 -1.369 10.671 1.00 0.00 C ATOM 1011 CD LYS A 72 4.197 -1.831 11.504 1.00 0.00 C ATOM 1012 CE LYS A 72 4.648 -2.599 12.736 1.00 0.00 C ATOM 1013 NZ LYS A 72 3.573 -2.682 13.763 1.00 0.00 N ATOM 0 H LYS A 72 7.001 0.472 9.063 1.00 0.00 H new ATOM 0 HA LYS A 72 6.435 -2.276 8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.591 -0.054 9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.155 -1.736 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.154 -2.137 10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.815 -0.475 11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.606 -0.967 11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.548 -2.463 10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.951 -3.605 12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.524 -2.113 13.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.920 -3.213 14.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.301 -1.723 14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.746 -3.168 13.361 1.00 0.00 H new ATOM 1027 N VAL A 73 5.315 0.412 6.638 1.00 0.00 N ATOM 1028 CA VAL A 73 4.840 0.895 5.347 1.00 0.00 C ATOM 1029 C VAL A 73 5.720 0.383 4.212 1.00 0.00 C ATOM 1030 O VAL A 73 5.220 -0.113 3.203 1.00 0.00 O ATOM 1031 CB VAL A 73 4.807 2.435 5.302 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.597 2.922 3.876 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.722 2.971 6.223 1.00 0.00 C ATOM 0 H VAL A 73 5.383 1.131 7.358 1.00 0.00 H new ATOM 0 HA VAL A 73 3.827 0.513 5.218 1.00 0.00 H new ATOM 0 HB VAL A 73 5.768 2.813 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.576 4.012 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.413 2.567 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.651 2.537 3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.713 4.060 6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.753 2.587 5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.922 2.651 7.246 1.00 0.00 H new ATOM 1043 N GLN A 74 7.032 0.507 4.385 1.00 0.00 N ATOM 1044 CA GLN A 74 7.981 0.056 3.374 1.00 0.00 C ATOM 1045 C GLN A 74 7.812 -1.434 3.095 1.00 0.00 C ATOM 1046 O GLN A 74 8.071 -1.900 1.985 1.00 0.00 O ATOM 1047 CB GLN A 74 9.414 0.343 3.826 1.00 0.00 C ATOM 1048 CG GLN A 74 9.880 -0.543 4.970 1.00 0.00 C ATOM 1049 CD GLN A 74 11.382 -0.747 4.975 1.00 0.00 C ATOM 1050 OE1 GLN A 74 11.875 -1.825 4.641 1.00 0.00 O ATOM 1051 NE2 GLN A 74 12.120 0.290 5.355 1.00 0.00 N ATOM 0 H GLN A 74 7.462 0.916 5.215 1.00 0.00 H new ATOM 0 HA GLN A 74 7.781 0.604 2.453 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.087 0.212 2.978 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.487 1.386 4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.574 -0.098 5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.386 -1.512 4.899 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.670 1.165 5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 74 13.137 0.211 5.378 1.00 0.00 H new ATOM 1060 N GLN A 75 7.376 -2.175 4.108 1.00 0.00 N ATOM 1061 CA GLN A 75 7.174 -3.613 3.970 1.00 0.00 C ATOM 1062 C GLN A 75 5.843 -3.913 3.289 1.00 0.00 C ATOM 1063 O GLN A 75 5.769 -4.750 2.390 1.00 0.00 O ATOM 1064 CB GLN A 75 7.222 -4.290 5.342 1.00 0.00 C ATOM 1065 CG GLN A 75 8.613 -4.324 5.954 1.00 0.00 C ATOM 1066 CD GLN A 75 9.450 -5.478 5.438 1.00 0.00 C ATOM 1067 OE1 GLN A 75 10.056 -5.391 4.370 1.00 0.00 O ATOM 1068 NE2 GLN A 75 9.487 -6.568 6.196 1.00 0.00 N ATOM 0 H GLN A 75 7.156 -1.804 5.032 1.00 0.00 H new ATOM 0 HA GLN A 75 7.977 -4.009 3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.548 -3.766 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.850 -5.310 5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.123 -3.385 5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.527 -4.399 7.038 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.969 -6.596 7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.033 -7.377 5.900 1.00 0.00 H new ATOM 1077 N ALA A 76 4.793 -3.224 3.724 1.00 0.00 N ATOM 1078 CA ALA A 76 3.464 -3.415 3.154 1.00 0.00 C ATOM 1079 C ALA A 76 3.445 -3.053 1.673 1.00 0.00 C ATOM 1080 O ALA A 76 2.757 -3.692 0.876 1.00 0.00 O ATOM 1081 CB ALA A 76 2.440 -2.588 3.916 1.00 0.00 C ATOM 0 H ALA A 76 4.837 -2.529 4.469 1.00 0.00 H new ATOM 0 HA ALA A 76 3.203 -4.469 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.453 -2.740 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.427 -2.898 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.706 -1.533 3.854 1.00 0.00 H new ATOM 1087 N LYS A 77 4.203 -2.024 1.310 1.00 0.00 N ATOM 1088 CA LYS A 77 4.273 -1.576 -0.075 1.00 0.00 C ATOM 1089 C LYS A 77 4.636 -2.731 -1.003 1.00 0.00 C ATOM 1090 O LYS A 77 4.127 -2.826 -2.119 1.00 0.00 O ATOM 1091 CB LYS A 77 5.302 -0.451 -0.218 1.00 0.00 C ATOM 1092 CG LYS A 77 5.815 -0.272 -1.636 1.00 0.00 C ATOM 1093 CD LYS A 77 6.971 0.712 -1.690 1.00 0.00 C ATOM 1094 CE LYS A 77 8.307 0.015 -1.482 1.00 0.00 C ATOM 1095 NZ LYS A 77 8.471 -0.463 -0.081 1.00 0.00 N ATOM 0 H LYS A 77 4.778 -1.484 1.957 1.00 0.00 H new ATOM 0 HA LYS A 77 3.290 -1.200 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.854 0.484 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.145 -0.656 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.137 -1.235 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.005 0.081 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.972 1.222 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.835 1.477 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.386 -0.830 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.117 0.701 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.482 -0.488 0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.976 0.183 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.070 -1.418 0.009 1.00 0.00 H new ATOM 1109 N GLU A 78 5.518 -3.608 -0.532 1.00 0.00 N ATOM 1110 CA GLU A 78 5.947 -4.757 -1.320 1.00 0.00 C ATOM 1111 C GLU A 78 4.833 -5.794 -1.421 1.00 0.00 C ATOM 1112 O GLU A 78 4.654 -6.429 -2.460 1.00 0.00 O ATOM 1113 CB GLU A 78 7.195 -5.391 -0.701 1.00 0.00 C ATOM 1114 CG GLU A 78 8.360 -4.426 -0.557 1.00 0.00 C ATOM 1115 CD GLU A 78 9.706 -5.121 -0.636 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.811 -6.265 -0.148 1.00 0.00 O ATOM 1117 OE2 GLU A 78 10.653 -4.520 -1.186 1.00 0.00 O ATOM 0 H GLU A 78 5.949 -3.544 0.390 1.00 0.00 H new ATOM 0 HA GLU A 78 6.186 -4.407 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.941 -5.790 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.507 -6.235 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.299 -3.670 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.280 -3.905 0.397 1.00 0.00 H new ATOM 1124 N MET A 79 4.088 -5.961 -0.334 1.00 0.00 N ATOM 1125 CA MET A 79 2.990 -6.921 -0.299 1.00 0.00 C ATOM 1126 C MET A 79 1.970 -6.620 -1.393 1.00 0.00 C ATOM 1127 O MET A 79 1.579 -7.506 -2.152 1.00 0.00 O ATOM 1128 CB MET A 79 2.309 -6.900 1.070 1.00 0.00 C ATOM 1129 CG MET A 79 3.019 -7.745 2.115 1.00 0.00 C ATOM 1130 SD MET A 79 2.673 -7.203 3.799 1.00 0.00 S ATOM 1131 CE MET A 79 0.897 -7.427 3.869 1.00 0.00 C ATOM 0 H MET A 79 4.224 -5.444 0.535 1.00 0.00 H new ATOM 0 HA MET A 79 3.403 -7.914 -0.475 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.254 -5.870 1.423 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.284 -7.255 0.962 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.715 -8.786 2.003 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.094 -7.706 1.939 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.527 -7.100 4.841 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.425 -6.837 3.083 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.657 -8.481 3.726 1.00 0.00 H new ATOM 1141 N VAL A 80 1.543 -5.363 -1.467 1.00 0.00 N ATOM 1142 CA VAL A 80 0.569 -4.945 -2.468 1.00 0.00 C ATOM 1143 C VAL A 80 1.156 -5.024 -3.873 1.00 0.00 C ATOM 1144 O VAL A 80 0.583 -5.655 -4.762 1.00 0.00 O ATOM 1145 CB VAL A 80 0.079 -3.508 -2.209 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -1.079 -3.164 -3.133 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.323 -3.338 -0.751 1.00 0.00 C ATOM 0 H VAL A 80 1.856 -4.617 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.276 -5.629 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 80 0.897 -2.820 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.412 -2.145 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.753 -3.245 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.903 -3.855 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.667 -2.317 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.126 -4.035 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.536 -3.540 -0.111 1.00 0.00 H new ATOM 1157 N LEU A 81 2.301 -4.380 -4.066 1.00 0.00 N ATOM 1158 CA LEU A 81 2.968 -4.377 -5.364 1.00 0.00 C ATOM 1159 C LEU A 81 3.082 -5.793 -5.920 1.00 0.00 C ATOM 1160 O LEU A 81 2.897 -6.016 -7.116 1.00 0.00 O ATOM 1161 CB LEU A 81 4.358 -3.751 -5.244 1.00 0.00 C ATOM 1162 CG LEU A 81 4.410 -2.223 -5.261 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.762 -1.728 -4.771 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.121 -1.695 -6.659 1.00 0.00 C ATOM 0 H LEU A 81 2.787 -3.853 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 81 2.367 -3.783 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.813 -4.100 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.975 -4.125 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 81 3.642 -1.846 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.779 -0.638 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.929 -2.075 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.548 -2.115 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.162 -0.606 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.865 -2.082 -7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.128 -2.019 -6.972 1.00 0.00 H new ATOM 1176 N GLU A 82 3.386 -6.745 -5.044 1.00 0.00 N ATOM 1177 CA GLU A 82 3.522 -8.139 -5.449 1.00 0.00 C ATOM 1178 C GLU A 82 2.162 -8.746 -5.779 1.00 0.00 C ATOM 1179 O GLU A 82 2.052 -9.624 -6.636 1.00 0.00 O ATOM 1180 CB GLU A 82 4.200 -8.950 -4.342 1.00 0.00 C ATOM 1181 CG GLU A 82 4.341 -10.428 -4.670 1.00 0.00 C ATOM 1182 CD GLU A 82 4.612 -11.274 -3.441 1.00 0.00 C ATOM 1183 OE1 GLU A 82 5.518 -10.915 -2.661 1.00 0.00 O ATOM 1184 OE2 GLU A 82 3.917 -12.296 -3.260 1.00 0.00 O ATOM 0 H GLU A 82 3.543 -6.577 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 82 4.141 -8.171 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.189 -8.533 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.626 -8.844 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.429 -10.778 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.153 -10.562 -5.385 1.00 0.00 H new ATOM 1191 N LEU A 83 1.128 -8.273 -5.092 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.227 -8.769 -5.310 1.00 0.00 C ATOM 1193 C LEU A 83 -0.679 -8.504 -6.743 1.00 0.00 C ATOM 1194 O LEU A 83 -1.379 -9.320 -7.344 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.197 -8.110 -4.327 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.516 -8.846 -4.092 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.288 -8.988 -5.395 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.262 -10.211 -3.468 1.00 0.00 C ATOM 0 H LEU A 83 1.202 -7.547 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.225 -9.846 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.691 -7.997 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.423 -7.107 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.119 -8.259 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.224 -9.514 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.503 -7.999 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.691 -9.552 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.212 -10.720 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.639 -10.806 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.752 -10.085 -2.513 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.273 -7.361 -7.284 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.633 -6.991 -8.647 1.00 0.00 C ATOM 1212 C ILE A 84 0.343 -7.588 -9.655 1.00 0.00 C ATOM 1213 O ILE A 84 -0.004 -7.806 -10.816 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.667 -5.462 -8.826 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.742 -4.880 -8.690 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.607 -4.831 -7.809 1.00 0.00 C ATOM 1217 CD1 ILE A 84 0.946 -3.604 -9.476 1.00 0.00 C ATOM 0 H ILE A 84 0.306 -6.675 -6.799 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.630 -7.392 -8.829 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.039 -5.235 -9.825 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.946 -4.685 -7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.467 -5.623 -9.023 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.621 -3.750 -7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.613 -5.227 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.262 -5.063 -6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.966 -3.248 -9.333 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.774 -3.797 -10.535 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.245 -2.846 -9.127 1.00 0.00 H new ATOM 1229 N ARG A 85 1.564 -7.852 -9.203 1.00 0.00 N ATOM 1230 CA ARG A 85 2.591 -8.425 -10.065 1.00 0.00 C ATOM 1231 C ARG A 85 2.293 -9.891 -10.365 1.00 0.00 C ATOM 1232 O ARG A 85 1.349 -10.467 -9.823 1.00 0.00 O ATOM 1233 CB ARG A 85 3.967 -8.297 -9.409 1.00 0.00 C ATOM 1234 CG ARG A 85 4.666 -6.981 -9.711 1.00 0.00 C ATOM 1235 CD ARG A 85 5.751 -6.680 -8.690 1.00 0.00 C ATOM 1236 NE ARG A 85 6.591 -5.558 -9.099 1.00 0.00 N ATOM 1237 CZ ARG A 85 7.773 -5.287 -8.555 1.00 0.00 C ATOM 1238 NH1 ARG A 85 8.251 -6.054 -7.585 1.00 0.00 N ATOM 1239 NH2 ARG A 85 8.479 -4.248 -8.981 1.00 0.00 N ATOM 0 H ARG A 85 1.867 -7.678 -8.245 1.00 0.00 H new ATOM 0 HA ARG A 85 2.591 -7.872 -11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.857 -8.401 -8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.598 -9.119 -9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.104 -7.021 -10.708 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.935 -6.172 -9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.291 -6.456 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.372 -7.565 -8.549 1.00 0.00 H new ATOM 0 HE ARG A 85 6.252 -4.948 -9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.711 -6.854 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.158 -5.844 -7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.115 -3.656 -9.727 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.386 -4.042 -8.562 1.00 0.00 H new ATOM 1253 N ASP A 86 3.103 -10.488 -11.232 1.00 0.00 N ATOM 1254 CA ASP A 86 2.927 -11.887 -11.605 1.00 0.00 C ATOM 1255 C ASP A 86 4.110 -12.383 -12.431 1.00 0.00 C ATOM 1256 O ASP A 86 4.988 -11.604 -12.803 1.00 0.00 O ATOM 1257 CB ASP A 86 1.628 -12.069 -12.390 1.00 0.00 C ATOM 1258 CG ASP A 86 0.443 -12.362 -11.491 1.00 0.00 C ATOM 1259 OD1 ASP A 86 0.649 -12.965 -10.417 1.00 0.00 O ATOM 1260 OD2 ASP A 86 -0.689 -11.987 -11.861 1.00 0.00 O ATOM 0 H ASP A 86 3.888 -10.025 -11.690 1.00 0.00 H new ATOM 0 HA ASP A 86 2.874 -12.477 -10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.427 -11.167 -12.968 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.749 -12.884 -13.103 1.00 0.00 H new ATOM 1265 N GLN A 87 4.125 -13.681 -12.714 1.00 0.00 N ATOM 1266 CA GLN A 87 5.201 -14.280 -13.496 1.00 0.00 C ATOM 1267 C GLN A 87 5.197 -13.747 -14.925 1.00 0.00 C ATOM 1268 O GLN A 87 6.250 -13.468 -15.497 1.00 0.00 O ATOM 1269 CB GLN A 87 5.065 -15.803 -13.506 1.00 0.00 C ATOM 1270 CG GLN A 87 5.116 -16.428 -12.122 1.00 0.00 C ATOM 1271 CD GLN A 87 4.795 -17.910 -12.138 1.00 0.00 C ATOM 1272 OE1 GLN A 87 4.721 -18.529 -13.200 1.00 0.00 O ATOM 1273 NE2 GLN A 87 4.602 -18.487 -10.958 1.00 0.00 N ATOM 0 H GLN A 87 3.405 -14.338 -12.414 1.00 0.00 H new ATOM 0 HA GLN A 87 6.149 -14.010 -13.030 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.122 -16.072 -13.982 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.863 -16.227 -14.116 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.109 -16.280 -11.697 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.410 -15.914 -11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.673 -17.936 -10.103 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.383 -19.482 -10.907 1.00 0.00 H new ATOM 1282 N GLY A 88 4.004 -13.609 -15.497 1.00 0.00 N ATOM 1283 CA GLY A 88 3.886 -13.110 -16.855 1.00 0.00 C ATOM 1284 C GLY A 88 4.274 -11.649 -16.972 1.00 0.00 C ATOM 1285 O GLY A 88 3.469 -10.762 -16.688 1.00 0.00 O ATOM 0 H GLY A 88 3.118 -13.834 -15.044 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.519 -13.705 -17.514 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.859 -13.239 -17.198 1.00 0.00 H new ATOM 1289 N SER A 89 5.510 -11.398 -17.390 1.00 0.00 N ATOM 1290 CA SER A 89 6.005 -10.035 -17.539 1.00 0.00 C ATOM 1291 C SER A 89 5.159 -9.256 -18.542 1.00 0.00 C ATOM 1292 O SER A 89 4.549 -9.837 -19.439 1.00 0.00 O ATOM 1293 CB SER A 89 7.467 -10.046 -17.988 1.00 0.00 C ATOM 1294 OG SER A 89 8.011 -8.738 -17.988 1.00 0.00 O ATOM 0 H SER A 89 6.187 -12.121 -17.632 1.00 0.00 H new ATOM 0 HA SER A 89 5.934 -9.542 -16.570 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.049 -10.685 -17.325 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.540 -10.474 -18.988 1.00 0.00 H new ATOM 0 HG SER A 89 8.947 -8.773 -18.277 1.00 0.00 H new ATOM 1300 N GLY A 90 5.127 -7.937 -18.382 1.00 0.00 N ATOM 1301 CA GLY A 90 4.354 -7.099 -19.280 1.00 0.00 C ATOM 1302 C GLY A 90 4.936 -5.707 -19.420 1.00 0.00 C ATOM 1303 O GLY A 90 5.662 -5.224 -18.551 1.00 0.00 O ATOM 0 H GLY A 90 5.623 -7.433 -17.646 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.308 -7.570 -20.262 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.330 -7.026 -18.913 1.00 0.00 H new ATOM 1307 N PRO A 91 4.617 -5.037 -20.537 1.00 0.00 N ATOM 1308 CA PRO A 91 5.103 -3.682 -20.815 1.00 0.00 C ATOM 1309 C PRO A 91 4.476 -2.641 -19.894 1.00 0.00 C ATOM 1310 O PRO A 91 3.276 -2.683 -19.621 1.00 0.00 O ATOM 1311 CB PRO A 91 4.676 -3.442 -22.265 1.00 0.00 C ATOM 1312 CG PRO A 91 3.502 -4.337 -22.467 1.00 0.00 C ATOM 1313 CD PRO A 91 3.756 -5.550 -21.616 1.00 0.00 C ATOM 0 HA PRO A 91 6.177 -3.593 -20.653 1.00 0.00 H new ATOM 0 HB2 PRO A 91 4.411 -2.398 -22.432 1.00 0.00 H new ATOM 0 HB3 PRO A 91 5.481 -3.682 -22.960 1.00 0.00 H new ATOM 0 HG2 PRO A 91 2.577 -3.840 -22.173 1.00 0.00 H new ATOM 0 HG3 PRO A 91 3.396 -4.612 -23.517 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.828 -5.968 -21.225 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.249 -6.341 -22.181 1.00 0.00 H new ATOM 1321 N SER A 92 5.294 -1.708 -19.420 1.00 0.00 N ATOM 1322 CA SER A 92 4.819 -0.657 -18.527 1.00 0.00 C ATOM 1323 C SER A 92 4.588 0.643 -19.292 1.00 0.00 C ATOM 1324 O SER A 92 5.497 1.168 -19.935 1.00 0.00 O ATOM 1325 CB SER A 92 5.825 -0.425 -17.397 1.00 0.00 C ATOM 1326 OG SER A 92 5.204 0.184 -16.279 1.00 0.00 O ATOM 0 H SER A 92 6.289 -1.658 -19.639 1.00 0.00 H new ATOM 0 HA SER A 92 3.870 -0.980 -18.099 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.267 -1.376 -17.098 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.638 0.207 -17.754 1.00 0.00 H new ATOM 0 HG SER A 92 5.867 0.320 -15.570 1.00 0.00 H new ATOM 1332 N SER A 93 3.365 1.156 -19.217 1.00 0.00 N ATOM 1333 CA SER A 93 3.011 2.392 -19.906 1.00 0.00 C ATOM 1334 C SER A 93 2.828 3.535 -18.911 1.00 0.00 C ATOM 1335 O SER A 93 2.564 3.309 -17.731 1.00 0.00 O ATOM 1336 CB SER A 93 1.730 2.199 -20.719 1.00 0.00 C ATOM 1337 OG SER A 93 0.626 1.924 -19.874 1.00 0.00 O ATOM 0 H SER A 93 2.602 0.736 -18.686 1.00 0.00 H new ATOM 0 HA SER A 93 3.827 2.648 -20.582 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.529 3.096 -21.305 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.864 1.380 -21.426 1.00 0.00 H new ATOM 0 HG SER A 93 -0.181 1.806 -20.418 1.00 0.00 H new ATOM 1343 N GLY A 94 2.971 4.764 -19.398 1.00 0.00 N ATOM 1344 CA GLY A 94 2.818 5.924 -18.540 1.00 0.00 C ATOM 1345 C GLY A 94 2.311 7.139 -19.291 1.00 0.00 C ATOM 1346 O GLY A 94 1.977 7.051 -20.473 1.00 0.00 O ATOM 0 H GLY A 94 3.190 4.977 -20.371 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.126 5.686 -17.732 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.777 6.160 -18.079 1.00 0.00 H new TER 1350 GLY A 94