USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 684 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 74 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 75 ASN : amide:sc= -0.374 K(o=-0.37,f=-2.2) USER MOD Set 2.1: A 44 THR OG1 : rot 110:sc= 0.899 USER MOD Set 2.2: A 46 ASN : amide:sc= 0.797 X(o=1.7,f=1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.333 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -52:sc= 0.525 USER MOD Single : A 6 SER OG : rot 66:sc= 0.469 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.0299 F(o=-1.5,f=-0.03) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 70:sc= 0.0172 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 148:sc= -0.824 (180deg=-2.65!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= -1.55 (180deg=-3.03!) USER MOD Single : A 50 TYR OH : rot 165:sc= -0.252 USER MOD Single : A 54 ASN : amide:sc= 0.397 K(o=0.4,f=-2.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -8:sc= 0.04 USER MOD Single : A 68 MET CE :methyl -104:sc= -1.3 (180deg=-3.97!) USER MOD Single : A 69 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.5!) USER MOD Single : A 71 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 27:sc= 0.105 USER MOD Single : A 82 TYR OH : rot -101:sc= 1.83 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.0172 (180deg=-0.172) USER MOD Single : A 91 SER OG : rot -59:sc=0.000691 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.943 8.586 -10.817 1.00 0.00 N ATOM 2 CA GLY A 1 3.644 9.917 -10.323 1.00 0.00 C ATOM 3 C GLY A 1 2.578 9.911 -9.246 1.00 0.00 C ATOM 4 O GLY A 1 1.517 9.310 -9.416 1.00 0.00 O ATOM 0 H1 GLY A 1 4.677 8.645 -11.551 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.284 7.993 -10.033 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.083 8.164 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.554 10.367 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.315 10.543 -11.152 1.00 0.00 H new ATOM 8 N SER A 2 2.860 10.579 -8.132 1.00 0.00 N ATOM 9 CA SER A 2 1.919 10.643 -7.020 1.00 0.00 C ATOM 10 C SER A 2 1.208 11.993 -6.987 1.00 0.00 C ATOM 11 O SER A 2 1.847 13.043 -6.924 1.00 0.00 O ATOM 12 CB SER A 2 2.646 10.405 -5.695 1.00 0.00 C ATOM 13 OG SER A 2 3.620 11.407 -5.460 1.00 0.00 O ATOM 0 H SER A 2 3.733 11.084 -7.976 1.00 0.00 H new ATOM 0 HA SER A 2 1.172 9.862 -7.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.925 10.396 -4.878 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.124 9.425 -5.710 1.00 0.00 H new ATOM 0 HG SER A 2 3.387 12.214 -5.964 1.00 0.00 H new ATOM 19 N SER A 3 -0.120 11.956 -7.031 1.00 0.00 N ATOM 20 CA SER A 3 -0.920 13.175 -7.011 1.00 0.00 C ATOM 21 C SER A 3 -1.423 13.471 -5.601 1.00 0.00 C ATOM 22 O SER A 3 -1.139 14.527 -5.038 1.00 0.00 O ATOM 23 CB SER A 3 -2.105 13.049 -7.971 1.00 0.00 C ATOM 24 OG SER A 3 -1.731 13.404 -9.291 1.00 0.00 O ATOM 0 H SER A 3 -0.665 11.095 -7.081 1.00 0.00 H new ATOM 0 HA SER A 3 -0.287 14.001 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.480 12.026 -7.959 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.919 13.691 -7.635 1.00 0.00 H new ATOM 0 HG SER A 3 -2.505 13.314 -9.886 1.00 0.00 H new ATOM 30 N GLY A 4 -2.173 12.529 -5.037 1.00 0.00 N ATOM 31 CA GLY A 4 -2.704 12.707 -3.698 1.00 0.00 C ATOM 32 C GLY A 4 -1.780 12.157 -2.630 1.00 0.00 C ATOM 33 O GLY A 4 -0.968 11.271 -2.898 1.00 0.00 O ATOM 0 H GLY A 4 -2.422 11.646 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.874 13.768 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.673 12.212 -3.626 1.00 0.00 H new ATOM 37 N SER A 5 -1.902 12.683 -1.415 1.00 0.00 N ATOM 38 CA SER A 5 -1.067 12.243 -0.304 1.00 0.00 C ATOM 39 C SER A 5 -1.855 11.343 0.644 1.00 0.00 C ATOM 40 O SER A 5 -1.779 11.490 1.863 1.00 0.00 O ATOM 41 CB SER A 5 -0.519 13.450 0.460 1.00 0.00 C ATOM 42 OG SER A 5 0.409 13.047 1.452 1.00 0.00 O ATOM 0 H SER A 5 -2.571 13.414 -1.175 1.00 0.00 H new ATOM 0 HA SER A 5 -0.234 11.672 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.037 14.137 -0.236 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.341 13.993 0.926 1.00 0.00 H new ATOM 0 HG SER A 5 0.009 12.348 2.010 1.00 0.00 H new ATOM 48 N SER A 6 -2.611 10.410 0.073 1.00 0.00 N ATOM 49 CA SER A 6 -3.416 9.488 0.865 1.00 0.00 C ATOM 50 C SER A 6 -2.639 8.210 1.167 1.00 0.00 C ATOM 51 O SER A 6 -3.176 7.107 1.077 1.00 0.00 O ATOM 52 CB SER A 6 -4.713 9.148 0.128 1.00 0.00 C ATOM 53 OG SER A 6 -4.464 8.289 -0.971 1.00 0.00 O ATOM 0 H SER A 6 -2.683 10.273 -0.935 1.00 0.00 H new ATOM 0 HA SER A 6 -3.660 9.976 1.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.412 8.671 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.187 10.065 -0.223 1.00 0.00 H new ATOM 0 HG SER A 6 -4.139 7.424 -0.643 1.00 0.00 H new ATOM 59 N GLY A 7 -1.368 8.368 1.526 1.00 0.00 N ATOM 60 CA GLY A 7 -0.537 7.220 1.836 1.00 0.00 C ATOM 61 C GLY A 7 -1.029 6.459 3.051 1.00 0.00 C ATOM 62 O GLY A 7 -1.521 7.057 4.008 1.00 0.00 O ATOM 0 H GLY A 7 -0.900 9.271 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.513 6.550 0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.486 7.552 2.009 1.00 0.00 H new ATOM 66 N ILE A 8 -0.897 5.137 3.012 1.00 0.00 N ATOM 67 CA ILE A 8 -1.333 4.294 4.118 1.00 0.00 C ATOM 68 C ILE A 8 -0.140 3.730 4.883 1.00 0.00 C ATOM 69 O ILE A 8 0.892 3.409 4.294 1.00 0.00 O ATOM 70 CB ILE A 8 -2.211 3.128 3.626 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.438 2.268 2.624 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.493 3.658 3.000 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.857 0.815 2.626 1.00 0.00 C ATOM 0 H ILE A 8 -0.492 4.627 2.227 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.922 4.926 4.783 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.478 2.506 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.577 2.677 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.373 2.331 2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.103 2.822 2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.049 4.233 3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.247 4.299 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.268 0.265 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.692 0.390 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.914 0.741 2.371 1.00 0.00 H new ATOM 85 N PHE A 9 -0.290 3.611 6.198 1.00 0.00 N ATOM 86 CA PHE A 9 0.775 3.084 7.044 1.00 0.00 C ATOM 87 C PHE A 9 0.514 1.624 7.401 1.00 0.00 C ATOM 88 O PHE A 9 -0.569 1.272 7.870 1.00 0.00 O ATOM 89 CB PHE A 9 0.900 3.918 8.321 1.00 0.00 C ATOM 90 CG PHE A 9 2.061 3.519 9.186 1.00 0.00 C ATOM 91 CD1 PHE A 9 2.050 2.314 9.870 1.00 0.00 C ATOM 92 CD2 PHE A 9 3.163 4.348 9.315 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.117 1.945 10.667 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.233 3.984 10.111 1.00 0.00 C ATOM 95 CZ PHE A 9 4.210 2.780 10.787 1.00 0.00 C ATOM 0 H PHE A 9 -1.138 3.872 6.701 1.00 0.00 H new ATOM 0 HA PHE A 9 1.710 3.142 6.487 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.003 4.969 8.050 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.021 3.826 8.897 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.198 1.656 9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.187 5.290 8.787 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.096 1.004 11.196 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.086 4.640 10.204 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.045 2.492 11.408 1.00 0.00 H new ATOM 105 N ILE A 10 1.513 0.778 7.174 1.00 0.00 N ATOM 106 CA ILE A 10 1.393 -0.644 7.471 1.00 0.00 C ATOM 107 C ILE A 10 2.415 -1.075 8.517 1.00 0.00 C ATOM 108 O ILE A 10 3.616 -0.867 8.350 1.00 0.00 O ATOM 109 CB ILE A 10 1.577 -1.501 6.205 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.517 -1.144 5.162 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.508 -2.981 6.553 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.977 -1.357 3.736 1.00 0.00 C ATOM 0 H ILE A 10 2.415 1.053 6.785 1.00 0.00 H new ATOM 0 HA ILE A 10 0.388 -0.801 7.863 1.00 0.00 H new ATOM 0 HB ILE A 10 2.560 -1.292 5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.375 -1.745 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.229 -0.101 5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.640 -3.574 5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.297 -3.225 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.538 -3.206 6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.175 -1.084 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.851 -0.736 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.237 -2.405 3.590 1.00 0.00 H new ATOM 124 N GLY A 11 1.929 -1.679 9.598 1.00 0.00 N ATOM 125 CA GLY A 11 2.814 -2.132 10.655 1.00 0.00 C ATOM 126 C GLY A 11 2.680 -3.617 10.926 1.00 0.00 C ATOM 127 O GLY A 11 1.641 -4.214 10.651 1.00 0.00 O ATOM 0 H GLY A 11 0.939 -1.862 9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.845 -1.907 10.383 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.597 -1.578 11.568 1.00 0.00 H new ATOM 131 N ASN A 12 3.737 -4.216 11.467 1.00 0.00 N ATOM 132 CA ASN A 12 3.734 -5.642 11.773 1.00 0.00 C ATOM 133 C ASN A 12 3.865 -6.472 10.499 1.00 0.00 C ATOM 134 O ASN A 12 3.046 -7.352 10.232 1.00 0.00 O ATOM 135 CB ASN A 12 2.450 -6.023 12.514 1.00 0.00 C ATOM 136 CG ASN A 12 2.654 -7.188 13.462 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.508 -8.403 12.946 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 2.941 -6.998 14.644 1.00 0.00 N flip ATOM 0 H ASN A 12 4.606 -3.736 11.702 1.00 0.00 H new ATOM 0 HA ASN A 12 4.591 -5.853 12.413 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.088 -5.161 13.074 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.678 -6.279 11.789 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.043 -6.047 14.997 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.077 -7.792 15.270 1.00 0.00 H new ATOM 145 N LEU A 13 4.900 -6.187 9.718 1.00 0.00 N ATOM 146 CA LEU A 13 5.140 -6.907 8.472 1.00 0.00 C ATOM 147 C LEU A 13 6.265 -7.924 8.639 1.00 0.00 C ATOM 148 O LEU A 13 7.386 -7.570 9.002 1.00 0.00 O ATOM 149 CB LEU A 13 5.486 -5.926 7.351 1.00 0.00 C ATOM 150 CG LEU A 13 4.307 -5.189 6.716 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.774 -3.900 6.058 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.602 -6.081 5.704 1.00 0.00 C ATOM 0 H LEU A 13 5.587 -5.462 9.925 1.00 0.00 H new ATOM 0 HA LEU A 13 4.227 -7.442 8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.182 -5.185 7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.012 -6.472 6.568 1.00 0.00 H new ATOM 0 HG LEU A 13 3.597 -4.935 7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.921 -3.389 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.232 -3.254 6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.505 -4.131 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.765 -5.540 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.303 -6.367 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.232 -6.976 6.204 1.00 0.00 H new ATOM 164 N ASP A 14 5.957 -9.188 8.369 1.00 0.00 N ATOM 165 CA ASP A 14 6.943 -10.256 8.486 1.00 0.00 C ATOM 166 C ASP A 14 8.223 -9.899 7.736 1.00 0.00 C ATOM 167 O ASP A 14 8.194 -9.333 6.643 1.00 0.00 O ATOM 168 CB ASP A 14 6.371 -11.568 7.947 1.00 0.00 C ATOM 169 CG ASP A 14 7.065 -12.784 8.528 1.00 0.00 C ATOM 170 OD1 ASP A 14 8.164 -13.128 8.044 1.00 0.00 O ATOM 171 OD2 ASP A 14 6.509 -13.393 9.466 1.00 0.00 O ATOM 0 H ASP A 14 5.033 -9.498 8.068 1.00 0.00 H new ATOM 0 HA ASP A 14 7.184 -10.380 9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.306 -11.618 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.466 -11.583 6.861 1.00 0.00 H new ATOM 176 N PRO A 15 9.374 -10.235 8.337 1.00 0.00 N ATOM 177 CA PRO A 15 10.686 -9.959 7.744 1.00 0.00 C ATOM 178 C PRO A 15 10.961 -10.821 6.516 1.00 0.00 C ATOM 179 O PRO A 15 12.016 -10.710 5.893 1.00 0.00 O ATOM 180 CB PRO A 15 11.664 -10.305 8.870 1.00 0.00 C ATOM 181 CG PRO A 15 10.936 -11.295 9.713 1.00 0.00 C ATOM 182 CD PRO A 15 9.484 -10.912 9.640 1.00 0.00 C ATOM 0 HA PRO A 15 10.766 -8.930 7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.589 -10.725 8.476 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.936 -9.419 9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.091 -12.309 9.346 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.295 -11.270 10.742 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.835 -11.786 9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.201 -10.253 10.460 1.00 0.00 H new ATOM 190 N GLU A 16 10.004 -11.679 6.175 1.00 0.00 N ATOM 191 CA GLU A 16 10.145 -12.560 5.022 1.00 0.00 C ATOM 192 C GLU A 16 9.438 -11.976 3.802 1.00 0.00 C ATOM 193 O GLU A 16 9.496 -12.540 2.709 1.00 0.00 O ATOM 194 CB GLU A 16 9.579 -13.945 5.338 1.00 0.00 C ATOM 195 CG GLU A 16 10.243 -14.617 6.529 1.00 0.00 C ATOM 196 CD GLU A 16 9.692 -16.004 6.798 1.00 0.00 C ATOM 197 OE1 GLU A 16 9.761 -16.856 5.888 1.00 0.00 O ATOM 198 OE2 GLU A 16 9.192 -16.237 7.919 1.00 0.00 O ATOM 0 H GLU A 16 9.124 -11.782 6.680 1.00 0.00 H new ATOM 0 HA GLU A 16 11.207 -12.653 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.510 -13.856 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.692 -14.583 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.316 -14.685 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.105 -13.997 7.415 1.00 0.00 H new ATOM 205 N ILE A 17 8.771 -10.844 3.998 1.00 0.00 N ATOM 206 CA ILE A 17 8.053 -10.183 2.915 1.00 0.00 C ATOM 207 C ILE A 17 8.952 -9.192 2.184 1.00 0.00 C ATOM 208 O ILE A 17 9.821 -8.564 2.788 1.00 0.00 O ATOM 209 CB ILE A 17 6.807 -9.442 3.435 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.918 -10.395 4.237 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.031 -8.834 2.276 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.995 -9.689 5.205 1.00 0.00 C ATOM 0 H ILE A 17 8.713 -10.365 4.897 1.00 0.00 H new ATOM 0 HA ILE A 17 7.738 -10.964 2.223 1.00 0.00 H new ATOM 0 HB ILE A 17 7.130 -8.636 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.321 -10.990 3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.550 -11.089 4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.153 -8.314 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.667 -8.128 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.716 -9.624 1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.395 -10.426 5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.586 -9.116 5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.338 -9.015 4.655 1.00 0.00 H new ATOM 224 N ASP A 18 8.735 -9.055 0.880 1.00 0.00 N ATOM 225 CA ASP A 18 9.524 -8.137 0.066 1.00 0.00 C ATOM 226 C ASP A 18 8.619 -7.207 -0.735 1.00 0.00 C ATOM 227 O ASP A 18 7.489 -7.562 -1.070 1.00 0.00 O ATOM 228 CB ASP A 18 10.439 -8.918 -0.879 1.00 0.00 C ATOM 229 CG ASP A 18 11.733 -9.341 -0.213 1.00 0.00 C ATOM 230 OD1 ASP A 18 11.699 -9.676 0.989 1.00 0.00 O ATOM 231 OD2 ASP A 18 12.780 -9.337 -0.895 1.00 0.00 O ATOM 0 H ASP A 18 8.020 -9.568 0.364 1.00 0.00 H new ATOM 0 HA ASP A 18 10.136 -7.532 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.914 -9.802 -1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.666 -8.304 -1.750 1.00 0.00 H new ATOM 236 N GLU A 19 9.123 -6.014 -1.037 1.00 0.00 N ATOM 237 CA GLU A 19 8.358 -5.033 -1.797 1.00 0.00 C ATOM 238 C GLU A 19 7.500 -5.715 -2.858 1.00 0.00 C ATOM 239 O GLU A 19 6.296 -5.471 -2.950 1.00 0.00 O ATOM 240 CB GLU A 19 9.298 -4.022 -2.458 1.00 0.00 C ATOM 241 CG GLU A 19 9.646 -2.842 -1.567 1.00 0.00 C ATOM 242 CD GLU A 19 10.880 -3.092 -0.722 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.082 -4.249 -0.297 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.643 -2.133 -0.485 1.00 0.00 O ATOM 0 H GLU A 19 10.057 -5.704 -0.767 1.00 0.00 H new ATOM 0 HA GLU A 19 7.700 -4.508 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.217 -4.530 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.835 -3.652 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.807 -1.959 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.801 -2.623 -0.914 1.00 0.00 H new ATOM 251 N LYS A 20 8.127 -6.570 -3.658 1.00 0.00 N ATOM 252 CA LYS A 20 7.423 -7.289 -4.713 1.00 0.00 C ATOM 253 C LYS A 20 6.102 -7.854 -4.199 1.00 0.00 C ATOM 254 O LYS A 20 5.040 -7.589 -4.763 1.00 0.00 O ATOM 255 CB LYS A 20 8.296 -8.421 -5.258 1.00 0.00 C ATOM 256 CG LYS A 20 7.663 -9.176 -6.414 1.00 0.00 C ATOM 257 CD LYS A 20 7.654 -8.343 -7.685 1.00 0.00 C ATOM 258 CE LYS A 20 6.660 -8.886 -8.700 1.00 0.00 C ATOM 259 NZ LYS A 20 7.207 -10.055 -9.443 1.00 0.00 N ATOM 0 H LYS A 20 9.123 -6.782 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 20 7.209 -6.585 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.250 -8.007 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.512 -9.122 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.211 -10.102 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.642 -9.454 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.401 -7.311 -7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.653 -8.333 -8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.742 -9.178 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.395 -8.099 -9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.499 -10.395 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.069 -9.771 -9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.436 -10.816 -8.772 1.00 0.00 H new ATOM 273 N LEU A 21 6.176 -8.631 -3.124 1.00 0.00 N ATOM 274 CA LEU A 21 4.985 -9.232 -2.532 1.00 0.00 C ATOM 275 C LEU A 21 3.964 -8.163 -2.158 1.00 0.00 C ATOM 276 O LEU A 21 2.889 -8.081 -2.754 1.00 0.00 O ATOM 277 CB LEU A 21 5.364 -10.048 -1.294 1.00 0.00 C ATOM 278 CG LEU A 21 4.295 -11.009 -0.771 1.00 0.00 C ATOM 279 CD1 LEU A 21 4.071 -12.145 -1.757 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.690 -11.554 0.593 1.00 0.00 C ATOM 0 H LEU A 21 7.047 -8.860 -2.645 1.00 0.00 H new ATOM 0 HA LEU A 21 4.535 -9.894 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.261 -10.624 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.625 -9.356 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 21 3.360 -10.459 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.307 -12.819 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.743 -11.737 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.002 -12.694 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.918 -12.236 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.637 -12.088 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.799 -10.729 1.297 1.00 0.00 H new ATOM 292 N LEU A 22 4.307 -7.345 -1.170 1.00 0.00 N ATOM 293 CA LEU A 22 3.421 -6.278 -0.717 1.00 0.00 C ATOM 294 C LEU A 22 2.680 -5.650 -1.893 1.00 0.00 C ATOM 295 O LEU A 22 1.450 -5.593 -1.905 1.00 0.00 O ATOM 296 CB LEU A 22 4.220 -5.206 0.027 1.00 0.00 C ATOM 297 CG LEU A 22 4.756 -5.604 1.403 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.815 -4.616 1.868 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.622 -5.688 2.414 1.00 0.00 C ATOM 0 H LEU A 22 5.192 -7.400 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 22 2.687 -6.712 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.063 -4.910 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.587 -4.326 0.146 1.00 0.00 H new ATOM 0 HG LEU A 22 5.216 -6.589 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.185 -4.914 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.640 -4.605 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.379 -3.619 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.022 -5.972 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.132 -4.717 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.898 -6.434 2.087 1.00 0.00 H new ATOM 311 N TYR A 23 3.435 -5.183 -2.881 1.00 0.00 N ATOM 312 CA TYR A 23 2.850 -4.559 -4.062 1.00 0.00 C ATOM 313 C TYR A 23 1.599 -5.309 -4.510 1.00 0.00 C ATOM 314 O TYR A 23 0.504 -4.749 -4.542 1.00 0.00 O ATOM 315 CB TYR A 23 3.870 -4.518 -5.201 1.00 0.00 C ATOM 316 CG TYR A 23 3.425 -3.686 -6.382 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.707 -4.255 -7.427 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.722 -2.330 -6.454 1.00 0.00 C ATOM 319 CE1 TYR A 23 2.299 -3.498 -8.509 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.317 -1.566 -7.530 1.00 0.00 C ATOM 321 CZ TYR A 23 2.606 -2.154 -8.555 1.00 0.00 C ATOM 322 OH TYR A 23 2.202 -1.397 -9.631 1.00 0.00 O ATOM 0 H TYR A 23 4.454 -5.225 -2.888 1.00 0.00 H new ATOM 0 HA TYR A 23 2.567 -3.539 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.811 -4.120 -4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.067 -5.536 -5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.464 -5.307 -7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.280 -1.866 -5.654 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.743 -3.956 -9.314 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.556 -0.513 -7.569 1.00 0.00 H new ATOM 0 HH TYR A 23 2.497 -0.471 -9.508 1.00 0.00 H new ATOM 332 N ASP A 24 1.772 -6.580 -4.856 1.00 0.00 N ATOM 333 CA ASP A 24 0.658 -7.410 -5.301 1.00 0.00 C ATOM 334 C ASP A 24 -0.356 -7.606 -4.179 1.00 0.00 C ATOM 335 O ASP A 24 -1.538 -7.295 -4.333 1.00 0.00 O ATOM 336 CB ASP A 24 1.168 -8.767 -5.787 1.00 0.00 C ATOM 337 CG ASP A 24 0.082 -9.589 -6.453 1.00 0.00 C ATOM 338 OD1 ASP A 24 -0.939 -9.869 -5.791 1.00 0.00 O ATOM 339 OD2 ASP A 24 0.253 -9.953 -7.636 1.00 0.00 O ATOM 0 H ASP A 24 2.673 -7.058 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 24 0.164 -6.899 -6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.986 -8.614 -6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.574 -9.323 -4.942 1.00 0.00 H new ATOM 344 N THR A 25 0.112 -8.124 -3.048 1.00 0.00 N ATOM 345 CA THR A 25 -0.754 -8.364 -1.900 1.00 0.00 C ATOM 346 C THR A 25 -1.775 -7.244 -1.738 1.00 0.00 C ATOM 347 O THR A 25 -2.932 -7.489 -1.399 1.00 0.00 O ATOM 348 CB THR A 25 0.061 -8.494 -0.599 1.00 0.00 C ATOM 349 OG1 THR A 25 1.003 -9.565 -0.716 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.855 -8.743 0.590 1.00 0.00 C ATOM 0 H THR A 25 1.087 -8.386 -2.902 1.00 0.00 H new ATOM 0 HA THR A 25 -1.276 -9.302 -2.088 1.00 0.00 H new ATOM 0 HB THR A 25 0.596 -7.558 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.707 -9.314 -1.350 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.258 -8.831 1.497 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.551 -7.911 0.694 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.414 -9.666 0.432 1.00 0.00 H new ATOM 358 N PHE A 26 -1.339 -6.013 -1.984 1.00 0.00 N ATOM 359 CA PHE A 26 -2.216 -4.853 -1.865 1.00 0.00 C ATOM 360 C PHE A 26 -2.779 -4.455 -3.226 1.00 0.00 C ATOM 361 O PHE A 26 -3.803 -3.778 -3.312 1.00 0.00 O ATOM 362 CB PHE A 26 -1.458 -3.675 -1.249 1.00 0.00 C ATOM 363 CG PHE A 26 -1.227 -3.817 0.228 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.562 -4.920 0.737 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.678 -2.846 1.109 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.348 -5.053 2.096 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.466 -2.973 2.469 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.802 -4.079 2.963 1.00 0.00 C ATOM 0 H PHE A 26 -0.384 -5.793 -2.267 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.047 -5.122 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.496 -3.570 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.016 -2.757 -1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.206 -5.686 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.201 -1.981 0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.174 -5.918 2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.819 -2.208 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.638 -4.182 4.026 1.00 0.00 H new ATOM 378 N SER A 27 -2.101 -4.881 -4.287 1.00 0.00 N ATOM 379 CA SER A 27 -2.530 -4.565 -5.645 1.00 0.00 C ATOM 380 C SER A 27 -3.968 -5.019 -5.879 1.00 0.00 C ATOM 381 O SER A 27 -4.695 -4.427 -6.677 1.00 0.00 O ATOM 382 CB SER A 27 -1.602 -5.230 -6.663 1.00 0.00 C ATOM 383 OG SER A 27 -1.940 -4.850 -7.986 1.00 0.00 O ATOM 0 H SER A 27 -1.253 -5.445 -4.233 1.00 0.00 H new ATOM 0 HA SER A 27 -2.483 -3.484 -5.773 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.569 -4.952 -6.454 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.666 -6.314 -6.565 1.00 0.00 H new ATOM 0 HG SER A 27 -1.331 -5.287 -8.618 1.00 0.00 H new ATOM 389 N ALA A 28 -4.371 -6.072 -5.177 1.00 0.00 N ATOM 390 CA ALA A 28 -5.722 -6.605 -5.306 1.00 0.00 C ATOM 391 C ALA A 28 -6.765 -5.542 -4.976 1.00 0.00 C ATOM 392 O ALA A 28 -7.664 -5.272 -5.772 1.00 0.00 O ATOM 393 CB ALA A 28 -5.899 -7.818 -4.405 1.00 0.00 C ATOM 0 H ALA A 28 -3.781 -6.573 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.868 -6.911 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.912 -8.206 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.184 -8.590 -4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.728 -7.529 -3.368 1.00 0.00 H new ATOM 399 N PHE A 29 -6.639 -4.942 -3.797 1.00 0.00 N ATOM 400 CA PHE A 29 -7.572 -3.910 -3.361 1.00 0.00 C ATOM 401 C PHE A 29 -7.577 -2.735 -4.334 1.00 0.00 C ATOM 402 O PHE A 29 -8.617 -2.376 -4.886 1.00 0.00 O ATOM 403 CB PHE A 29 -7.207 -3.422 -1.957 1.00 0.00 C ATOM 404 CG PHE A 29 -7.127 -4.525 -0.941 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.269 -5.201 -0.542 1.00 0.00 C ATOM 406 CD2 PHE A 29 -5.910 -4.887 -0.386 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.198 -6.216 0.394 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.833 -5.901 0.550 1.00 0.00 C ATOM 409 CZ PHE A 29 -6.979 -6.567 0.939 1.00 0.00 C ATOM 0 H PHE A 29 -5.900 -5.153 -3.126 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.571 -4.345 -3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.247 -2.907 -1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.947 -2.692 -1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.225 -4.932 -0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.011 -4.371 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.095 -6.734 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.879 -6.172 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.921 -7.361 1.669 1.00 0.00 H new ATOM 419 N GLY A 30 -6.406 -2.139 -4.540 1.00 0.00 N ATOM 420 CA GLY A 30 -6.297 -1.011 -5.446 1.00 0.00 C ATOM 421 C GLY A 30 -4.923 -0.906 -6.078 1.00 0.00 C ATOM 422 O GLY A 30 -4.028 -1.692 -5.769 1.00 0.00 O ATOM 0 H GLY A 30 -5.531 -2.418 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.048 -1.105 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.516 -0.091 -4.904 1.00 0.00 H new ATOM 426 N VAL A 31 -4.756 0.068 -6.967 1.00 0.00 N ATOM 427 CA VAL A 31 -3.481 0.274 -7.645 1.00 0.00 C ATOM 428 C VAL A 31 -2.569 1.188 -6.835 1.00 0.00 C ATOM 429 O VAL A 31 -2.996 2.237 -6.352 1.00 0.00 O ATOM 430 CB VAL A 31 -3.682 0.878 -9.047 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.341 1.096 -9.732 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.581 -0.016 -9.888 1.00 0.00 C ATOM 0 H VAL A 31 -5.487 0.727 -7.235 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.013 -0.706 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.170 1.847 -8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.503 1.523 -10.722 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.735 1.779 -9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.823 0.142 -9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.712 0.426 -10.876 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.124 -1.000 -9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.552 -0.115 -9.403 1.00 0.00 H new ATOM 442 N ILE A 32 -1.311 0.785 -6.691 1.00 0.00 N ATOM 443 CA ILE A 32 -0.339 1.569 -5.941 1.00 0.00 C ATOM 444 C ILE A 32 0.237 2.694 -6.796 1.00 0.00 C ATOM 445 O ILE A 32 0.496 2.514 -7.986 1.00 0.00 O ATOM 446 CB ILE A 32 0.816 0.690 -5.425 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.278 -0.408 -4.505 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.845 1.542 -4.697 1.00 0.00 C ATOM 449 CD1 ILE A 32 1.271 -1.519 -4.246 1.00 0.00 C ATOM 0 H ILE A 32 -0.941 -0.080 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.868 1.996 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 32 1.303 0.217 -6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.014 0.037 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.623 -0.833 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.655 0.907 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.246 2.291 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.372 2.040 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.822 -2.262 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.544 -1.990 -5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.163 -1.107 -3.774 1.00 0.00 H new ATOM 461 N LEU A 33 0.436 3.854 -6.180 1.00 0.00 N ATOM 462 CA LEU A 33 0.983 5.009 -6.883 1.00 0.00 C ATOM 463 C LEU A 33 2.443 4.777 -7.259 1.00 0.00 C ATOM 464 O LEU A 33 2.827 4.934 -8.418 1.00 0.00 O ATOM 465 CB LEU A 33 0.861 6.264 -6.016 1.00 0.00 C ATOM 466 CG LEU A 33 -0.476 7.003 -6.089 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.494 8.170 -5.114 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.741 7.486 -7.508 1.00 0.00 C ATOM 0 H LEU A 33 0.227 4.020 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 33 0.409 5.150 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.042 5.983 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.652 6.957 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.269 6.310 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.453 8.684 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.350 7.799 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.308 8.865 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.696 8.010 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.055 8.164 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.772 6.631 -8.184 1.00 0.00 H new ATOM 480 N GLN A 34 3.249 4.400 -6.273 1.00 0.00 N ATOM 481 CA GLN A 34 4.667 4.144 -6.501 1.00 0.00 C ATOM 482 C GLN A 34 5.168 3.016 -5.605 1.00 0.00 C ATOM 483 O GLN A 34 4.642 2.795 -4.514 1.00 0.00 O ATOM 484 CB GLN A 34 5.483 5.413 -6.247 1.00 0.00 C ATOM 485 CG GLN A 34 5.459 6.394 -7.408 1.00 0.00 C ATOM 486 CD GLN A 34 6.567 6.139 -8.411 1.00 0.00 C ATOM 487 OE1 GLN A 34 7.730 6.461 -8.164 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.212 5.557 -9.550 1.00 0.00 N ATOM 0 H GLN A 34 2.945 4.265 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 34 4.793 3.841 -7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.100 5.909 -5.355 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.516 5.135 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.495 6.330 -7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.550 7.410 -7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.237 5.307 -9.713 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.915 5.360 -10.263 1.00 0.00 H new ATOM 497 N THR A 35 6.187 2.303 -6.074 1.00 0.00 N ATOM 498 CA THR A 35 6.758 1.196 -5.317 1.00 0.00 C ATOM 499 C THR A 35 6.769 1.500 -3.823 1.00 0.00 C ATOM 500 O THR A 35 7.172 2.579 -3.388 1.00 0.00 O ATOM 501 CB THR A 35 8.194 0.883 -5.777 1.00 0.00 C ATOM 502 OG1 THR A 35 8.165 0.064 -6.951 1.00 0.00 O ATOM 503 CG2 THR A 35 8.972 0.175 -4.677 1.00 0.00 C ATOM 0 H THR A 35 6.634 2.473 -6.975 1.00 0.00 H new ATOM 0 HA THR A 35 6.128 0.327 -5.503 1.00 0.00 H new ATOM 0 HB THR A 35 8.693 1.825 -6.005 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.082 -0.129 -7.238 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.983 -0.036 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.017 0.813 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.473 -0.760 -4.423 1.00 0.00 H new ATOM 511 N PRO A 36 6.318 0.527 -3.018 1.00 0.00 N ATOM 512 CA PRO A 36 6.267 0.667 -1.559 1.00 0.00 C ATOM 513 C PRO A 36 7.656 0.679 -0.930 1.00 0.00 C ATOM 514 O PRO A 36 8.594 0.083 -1.459 1.00 0.00 O ATOM 515 CB PRO A 36 5.487 -0.571 -1.111 1.00 0.00 C ATOM 516 CG PRO A 36 5.711 -1.572 -2.192 1.00 0.00 C ATOM 517 CD PRO A 36 5.822 -0.784 -3.468 1.00 0.00 C ATOM 0 HA PRO A 36 5.809 1.608 -1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.846 -0.939 -0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.427 -0.349 -0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.618 -2.148 -2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.886 -2.283 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.509 -1.254 -4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.859 -0.698 -3.972 1.00 0.00 H new ATOM 525 N LYS A 37 7.780 1.360 0.204 1.00 0.00 N ATOM 526 CA LYS A 37 9.054 1.449 0.908 1.00 0.00 C ATOM 527 C LYS A 37 8.980 0.742 2.258 1.00 0.00 C ATOM 528 O LYS A 37 8.096 1.023 3.068 1.00 0.00 O ATOM 529 CB LYS A 37 9.449 2.914 1.109 1.00 0.00 C ATOM 530 CG LYS A 37 9.734 3.650 -0.189 1.00 0.00 C ATOM 531 CD LYS A 37 10.244 5.058 0.069 1.00 0.00 C ATOM 532 CE LYS A 37 10.756 5.707 -1.207 1.00 0.00 C ATOM 533 NZ LYS A 37 11.440 7.002 -0.934 1.00 0.00 N ATOM 0 H LYS A 37 7.013 1.859 0.656 1.00 0.00 H new ATOM 0 HA LYS A 37 9.812 0.955 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.648 3.428 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.333 2.959 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.472 3.095 -0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.826 3.695 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.443 5.665 0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.044 5.027 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.448 5.029 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.923 5.873 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.775 7.413 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.773 7.658 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.251 6.840 -0.303 1.00 0.00 H new ATOM 547 N ILE A 38 9.913 -0.174 2.493 1.00 0.00 N ATOM 548 CA ILE A 38 9.954 -0.918 3.746 1.00 0.00 C ATOM 549 C ILE A 38 11.140 -0.488 4.602 1.00 0.00 C ATOM 550 O ILE A 38 12.289 -0.554 4.167 1.00 0.00 O ATOM 551 CB ILE A 38 10.039 -2.436 3.497 1.00 0.00 C ATOM 552 CG1 ILE A 38 8.797 -2.922 2.747 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.195 -3.181 4.814 1.00 0.00 C ATOM 554 CD1 ILE A 38 8.905 -4.350 2.260 1.00 0.00 C ATOM 0 H ILE A 38 10.651 -0.419 1.832 1.00 0.00 H new ATOM 0 HA ILE A 38 9.027 -0.696 4.275 1.00 0.00 H new ATOM 0 HB ILE A 38 10.915 -2.640 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.930 -2.835 3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.619 -2.268 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.254 -4.252 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.107 -2.852 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.337 -2.974 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.989 -4.627 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.752 -4.439 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.052 -5.015 3.111 1.00 0.00 H new ATOM 566 N MET A 39 10.853 -0.049 5.823 1.00 0.00 N ATOM 567 CA MET A 39 11.896 0.390 6.743 1.00 0.00 C ATOM 568 C MET A 39 12.711 -0.798 7.247 1.00 0.00 C ATOM 569 O MET A 39 12.156 -1.769 7.762 1.00 0.00 O ATOM 570 CB MET A 39 11.282 1.140 7.925 1.00 0.00 C ATOM 571 CG MET A 39 10.825 2.549 7.580 1.00 0.00 C ATOM 572 SD MET A 39 9.113 2.605 7.015 1.00 0.00 S ATOM 573 CE MET A 39 9.267 3.657 5.574 1.00 0.00 C ATOM 0 H MET A 39 9.907 0.012 6.198 1.00 0.00 H new ATOM 0 HA MET A 39 12.562 1.063 6.203 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.431 0.573 8.302 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.013 1.191 8.732 1.00 0.00 H new ATOM 0 HG2 MET A 39 10.935 3.187 8.457 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.473 2.957 6.805 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.530 3.362 4.827 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.097 4.695 5.861 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.268 3.556 5.155 1.00 0.00 H new ATOM 583 N ARG A 40 14.028 -0.713 7.095 1.00 0.00 N ATOM 584 CA ARG A 40 14.918 -1.782 7.534 1.00 0.00 C ATOM 585 C ARG A 40 15.955 -1.254 8.520 1.00 0.00 C ATOM 586 O ARG A 40 16.657 -0.283 8.239 1.00 0.00 O ATOM 587 CB ARG A 40 15.618 -2.417 6.331 1.00 0.00 C ATOM 588 CG ARG A 40 14.660 -3.007 5.309 1.00 0.00 C ATOM 589 CD ARG A 40 15.303 -3.107 3.935 1.00 0.00 C ATOM 590 NE ARG A 40 14.556 -3.990 3.044 1.00 0.00 N ATOM 591 CZ ARG A 40 14.893 -4.214 1.779 1.00 0.00 C ATOM 592 NH1 ARG A 40 15.960 -3.623 1.259 1.00 0.00 N ATOM 593 NH2 ARG A 40 14.162 -5.031 1.031 1.00 0.00 N ATOM 0 H ARG A 40 14.503 0.084 6.672 1.00 0.00 H new ATOM 0 HA ARG A 40 14.317 -2.539 8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.238 -1.664 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.288 -3.201 6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.342 -3.997 5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.765 -2.388 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.366 -2.113 3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.324 -3.475 4.038 1.00 0.00 H new ATOM 0 HE ARG A 40 13.730 -4.461 3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.524 -2.995 1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.216 -3.797 0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.341 -5.487 1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.422 -5.202 0.060 1.00 0.00 H new ATOM 607 N ASP A 41 16.046 -1.901 9.677 1.00 0.00 N ATOM 608 CA ASP A 41 16.998 -1.498 10.706 1.00 0.00 C ATOM 609 C ASP A 41 18.381 -1.266 10.105 1.00 0.00 C ATOM 610 O ASP A 41 19.071 -2.199 9.695 1.00 0.00 O ATOM 611 CB ASP A 41 17.077 -2.561 11.803 1.00 0.00 C ATOM 612 CG ASP A 41 17.475 -1.979 13.145 1.00 0.00 C ATOM 613 OD1 ASP A 41 17.109 -0.818 13.420 1.00 0.00 O ATOM 614 OD2 ASP A 41 18.154 -2.685 13.920 1.00 0.00 O ATOM 0 H ASP A 41 15.472 -2.707 9.926 1.00 0.00 H new ATOM 0 HA ASP A 41 16.649 -0.562 11.143 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.110 -3.055 11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.798 -3.325 11.513 1.00 0.00 H new ATOM 619 N PRO A 42 18.797 0.008 10.050 1.00 0.00 N ATOM 620 CA PRO A 42 20.100 0.393 9.501 1.00 0.00 C ATOM 621 C PRO A 42 21.257 -0.049 10.391 1.00 0.00 C ATOM 622 O PRO A 42 22.423 0.063 10.011 1.00 0.00 O ATOM 623 CB PRO A 42 20.024 1.920 9.443 1.00 0.00 C ATOM 624 CG PRO A 42 19.030 2.290 10.489 1.00 0.00 C ATOM 625 CD PRO A 42 18.026 1.171 10.521 1.00 0.00 C ATOM 0 HA PRO A 42 20.289 -0.075 8.535 1.00 0.00 H new ATOM 0 HB2 PRO A 42 20.995 2.373 9.642 1.00 0.00 H new ATOM 0 HB3 PRO A 42 19.708 2.264 8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 42 19.511 2.410 11.460 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.549 3.239 10.252 1.00 0.00 H new ATOM 0 HD2 PRO A 42 17.633 1.013 11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 42 17.174 1.377 9.874 1.00 0.00 H new ATOM 633 N ASP A 43 20.928 -0.551 11.576 1.00 0.00 N ATOM 634 CA ASP A 43 21.940 -1.012 12.519 1.00 0.00 C ATOM 635 C ASP A 43 22.282 -2.479 12.277 1.00 0.00 C ATOM 636 O ASP A 43 23.443 -2.831 12.066 1.00 0.00 O ATOM 637 CB ASP A 43 21.454 -0.819 13.956 1.00 0.00 C ATOM 638 CG ASP A 43 22.535 -1.113 14.978 1.00 0.00 C ATOM 639 OD1 ASP A 43 23.723 -1.138 14.593 1.00 0.00 O ATOM 640 OD2 ASP A 43 22.193 -1.318 16.161 1.00 0.00 O ATOM 0 H ASP A 43 19.968 -0.649 11.906 1.00 0.00 H new ATOM 0 HA ASP A 43 22.841 -0.418 12.365 1.00 0.00 H new ATOM 0 HB2 ASP A 43 21.106 0.206 14.084 1.00 0.00 H new ATOM 0 HB3 ASP A 43 20.599 -1.471 14.138 1.00 0.00 H new ATOM 645 N THR A 44 21.263 -3.332 12.308 1.00 0.00 N ATOM 646 CA THR A 44 21.455 -4.760 12.095 1.00 0.00 C ATOM 647 C THR A 44 21.224 -5.134 10.635 1.00 0.00 C ATOM 648 O THR A 44 21.924 -5.981 10.082 1.00 0.00 O ATOM 649 CB THR A 44 20.510 -5.593 12.982 1.00 0.00 C ATOM 650 OG1 THR A 44 19.155 -5.421 12.551 1.00 0.00 O ATOM 651 CG2 THR A 44 20.640 -5.186 14.442 1.00 0.00 C ATOM 0 H THR A 44 20.296 -3.058 12.479 1.00 0.00 H new ATOM 0 HA THR A 44 22.487 -4.984 12.366 1.00 0.00 H new ATOM 0 HB THR A 44 20.789 -6.642 12.888 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.833 -6.252 12.144 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.963 -5.788 15.049 1.00 0.00 H new ATOM 0 HG22 THR A 44 21.666 -5.346 14.775 1.00 0.00 H new ATOM 0 HG23 THR A 44 20.384 -4.132 14.550 1.00 0.00 H new ATOM 659 N GLY A 45 20.236 -4.495 10.014 1.00 0.00 N ATOM 660 CA GLY A 45 19.931 -4.774 8.623 1.00 0.00 C ATOM 661 C GLY A 45 18.756 -5.719 8.466 1.00 0.00 C ATOM 662 O GLY A 45 18.749 -6.568 7.575 1.00 0.00 O ATOM 0 H GLY A 45 19.642 -3.790 10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 45 19.713 -3.839 8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.808 -5.206 8.141 1.00 0.00 H new ATOM 666 N ASN A 46 17.761 -5.574 9.334 1.00 0.00 N ATOM 667 CA ASN A 46 16.576 -6.423 9.289 1.00 0.00 C ATOM 668 C ASN A 46 15.308 -5.583 9.174 1.00 0.00 C ATOM 669 O ASN A 46 15.253 -4.454 9.662 1.00 0.00 O ATOM 670 CB ASN A 46 16.506 -7.304 10.538 1.00 0.00 C ATOM 671 CG ASN A 46 17.699 -8.232 10.659 1.00 0.00 C ATOM 672 OD1 ASN A 46 18.630 -7.969 11.421 1.00 0.00 O ATOM 673 ND2 ASN A 46 17.677 -9.325 9.905 1.00 0.00 N ATOM 0 H ASN A 46 17.751 -4.876 10.078 1.00 0.00 H new ATOM 0 HA ASN A 46 16.650 -7.059 8.407 1.00 0.00 H new ATOM 0 HB2 ASN A 46 16.451 -6.671 11.423 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.591 -7.895 10.511 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.452 -9.987 9.943 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.885 -9.503 9.288 1.00 0.00 H new ATOM 680 N SER A 47 14.292 -6.141 8.524 1.00 0.00 N ATOM 681 CA SER A 47 13.025 -5.442 8.342 1.00 0.00 C ATOM 682 C SER A 47 12.496 -4.919 9.674 1.00 0.00 C ATOM 683 O SER A 47 12.159 -5.694 10.569 1.00 0.00 O ATOM 684 CB SER A 47 11.993 -6.372 7.701 1.00 0.00 C ATOM 685 OG SER A 47 10.766 -5.698 7.481 1.00 0.00 O ATOM 0 H SER A 47 14.321 -7.075 8.115 1.00 0.00 H new ATOM 0 HA SER A 47 13.199 -4.593 7.681 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.378 -6.750 6.754 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.827 -7.235 8.345 1.00 0.00 H new ATOM 0 HG SER A 47 10.124 -6.313 7.069 1.00 0.00 H new ATOM 691 N LYS A 48 12.427 -3.598 9.798 1.00 0.00 N ATOM 692 CA LYS A 48 11.939 -2.968 11.019 1.00 0.00 C ATOM 693 C LYS A 48 10.598 -3.562 11.439 1.00 0.00 C ATOM 694 O LYS A 48 10.458 -4.083 12.544 1.00 0.00 O ATOM 695 CB LYS A 48 11.798 -1.457 10.817 1.00 0.00 C ATOM 696 CG LYS A 48 13.128 -0.729 10.729 1.00 0.00 C ATOM 697 CD LYS A 48 13.586 -0.239 12.093 1.00 0.00 C ATOM 698 CE LYS A 48 13.932 -1.398 13.015 1.00 0.00 C ATOM 699 NZ LYS A 48 12.747 -1.865 13.787 1.00 0.00 N ATOM 0 H LYS A 48 12.703 -2.942 9.067 1.00 0.00 H new ATOM 0 HA LYS A 48 12.665 -3.157 11.810 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.231 -1.272 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.219 -1.041 11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.881 -1.395 10.309 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.036 0.118 10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.457 0.406 11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.800 0.366 12.546 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.330 -2.224 12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.717 -1.091 13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.908 -1.703 14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.904 -1.338 13.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.601 -2.881 13.618 1.00 0.00 H new ATOM 713 N GLY A 49 9.614 -3.481 10.548 1.00 0.00 N ATOM 714 CA GLY A 49 8.298 -4.016 10.845 1.00 0.00 C ATOM 715 C GLY A 49 7.183 -3.148 10.298 1.00 0.00 C ATOM 716 O GLY A 49 6.033 -3.582 10.214 1.00 0.00 O ATOM 0 H GLY A 49 9.705 -3.054 9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.213 -5.018 10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.183 -4.112 11.925 1.00 0.00 H new ATOM 720 N TYR A 50 7.520 -1.918 9.926 1.00 0.00 N ATOM 721 CA TYR A 50 6.537 -0.986 9.388 1.00 0.00 C ATOM 722 C TYR A 50 6.963 -0.477 8.014 1.00 0.00 C ATOM 723 O TYR A 50 8.134 -0.174 7.787 1.00 0.00 O ATOM 724 CB TYR A 50 6.345 0.193 10.343 1.00 0.00 C ATOM 725 CG TYR A 50 7.639 0.716 10.927 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.371 1.700 10.274 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.129 0.225 12.131 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.553 2.180 10.803 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.310 0.701 12.668 1.00 0.00 C ATOM 730 CZ TYR A 50 10.018 1.678 12.000 1.00 0.00 C ATOM 731 OH TYR A 50 11.195 2.153 12.531 1.00 0.00 O ATOM 0 H TYR A 50 8.467 -1.543 9.987 1.00 0.00 H new ATOM 0 HA TYR A 50 5.591 -1.517 9.282 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.843 1.002 9.812 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.686 -0.112 11.156 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.009 2.096 9.337 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.578 -0.541 12.656 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.110 2.944 10.282 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.677 0.310 13.606 1.00 0.00 H new ATOM 0 HH TYR A 50 11.262 1.883 13.471 1.00 0.00 H new ATOM 741 N ALA A 51 6.003 -0.386 7.100 1.00 0.00 N ATOM 742 CA ALA A 51 6.276 0.088 5.749 1.00 0.00 C ATOM 743 C ALA A 51 5.285 1.171 5.336 1.00 0.00 C ATOM 744 O ALA A 51 4.306 1.430 6.036 1.00 0.00 O ATOM 745 CB ALA A 51 6.235 -1.072 4.764 1.00 0.00 C ATOM 0 H ALA A 51 5.029 -0.634 7.271 1.00 0.00 H new ATOM 0 HA ALA A 51 7.275 0.524 5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.441 -0.703 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.987 -1.811 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.248 -1.533 4.786 1.00 0.00 H new ATOM 751 N PHE A 52 5.546 1.801 4.195 1.00 0.00 N ATOM 752 CA PHE A 52 4.677 2.858 3.690 1.00 0.00 C ATOM 753 C PHE A 52 4.258 2.575 2.250 1.00 0.00 C ATOM 754 O PHE A 52 5.094 2.280 1.396 1.00 0.00 O ATOM 755 CB PHE A 52 5.386 4.211 3.770 1.00 0.00 C ATOM 756 CG PHE A 52 5.453 4.771 5.162 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.130 4.093 6.164 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.841 5.976 5.469 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.192 4.606 7.445 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.901 6.493 6.749 1.00 0.00 C ATOM 761 CZ PHE A 52 5.578 5.808 7.738 1.00 0.00 C ATOM 0 H PHE A 52 6.352 1.598 3.603 1.00 0.00 H new ATOM 0 HA PHE A 52 3.782 2.887 4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.398 4.105 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.869 4.922 3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.614 3.154 5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.311 6.517 4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.721 4.067 8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.419 7.432 6.976 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.627 6.211 8.739 1.00 0.00 H new ATOM 771 N ILE A 53 2.958 2.666 1.990 1.00 0.00 N ATOM 772 CA ILE A 53 2.427 2.421 0.655 1.00 0.00 C ATOM 773 C ILE A 53 1.357 3.445 0.293 1.00 0.00 C ATOM 774 O ILE A 53 0.440 3.702 1.072 1.00 0.00 O ATOM 775 CB ILE A 53 1.829 1.006 0.538 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.735 -0.013 1.232 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.628 0.636 -0.924 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.266 -1.443 1.076 1.00 0.00 C ATOM 0 H ILE A 53 2.253 2.908 2.687 1.00 0.00 H new ATOM 0 HA ILE A 53 3.263 2.512 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 53 0.857 0.995 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.744 0.076 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.793 0.228 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.205 -0.366 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.947 1.349 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.587 0.660 -1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.955 -2.110 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.269 -1.548 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.235 -1.702 0.018 1.00 0.00 H new ATOM 790 N ASN A 54 1.479 4.025 -0.897 1.00 0.00 N ATOM 791 CA ASN A 54 0.521 5.020 -1.364 1.00 0.00 C ATOM 792 C ASN A 54 -0.381 4.439 -2.449 1.00 0.00 C ATOM 793 O ASN A 54 0.061 3.650 -3.283 1.00 0.00 O ATOM 794 CB ASN A 54 1.254 6.251 -1.901 1.00 0.00 C ATOM 795 CG ASN A 54 2.580 5.899 -2.547 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.704 4.874 -3.217 1.00 0.00 O ATOM 797 ND2 ASN A 54 3.580 6.750 -2.347 1.00 0.00 N ATOM 0 H ASN A 54 2.232 3.823 -1.555 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.100 5.315 -0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.621 6.758 -2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.426 6.953 -1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.496 6.566 -2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.432 7.588 -1.784 1.00 0.00 H new ATOM 804 N PHE A 55 -1.649 4.836 -2.431 1.00 0.00 N ATOM 805 CA PHE A 55 -2.615 4.355 -3.412 1.00 0.00 C ATOM 806 C PHE A 55 -2.961 5.450 -4.416 1.00 0.00 C ATOM 807 O PHE A 55 -2.762 6.636 -4.152 1.00 0.00 O ATOM 808 CB PHE A 55 -3.886 3.869 -2.712 1.00 0.00 C ATOM 809 CG PHE A 55 -3.840 2.418 -2.326 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.330 2.030 -1.097 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.307 1.442 -3.192 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.286 0.696 -0.740 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.266 0.106 -2.840 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.756 -0.267 -1.612 1.00 0.00 C ATOM 0 H PHE A 55 -2.032 5.490 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.164 3.522 -3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.051 4.470 -1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.739 4.035 -3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.963 2.779 -0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.708 1.729 -4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.885 0.406 0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.632 -0.645 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.725 -1.310 -1.334 1.00 0.00 H new ATOM 824 N ALA A 56 -3.481 5.044 -5.570 1.00 0.00 N ATOM 825 CA ALA A 56 -3.856 5.990 -6.614 1.00 0.00 C ATOM 826 C ALA A 56 -5.168 6.690 -6.275 1.00 0.00 C ATOM 827 O ALA A 56 -5.307 7.897 -6.472 1.00 0.00 O ATOM 828 CB ALA A 56 -3.967 5.279 -7.955 1.00 0.00 C ATOM 0 H ALA A 56 -3.652 4.066 -5.805 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.076 6.748 -6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.248 5.997 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.007 4.830 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.726 4.499 -7.892 1.00 0.00 H new ATOM 834 N SER A 57 -6.127 5.924 -5.764 1.00 0.00 N ATOM 835 CA SER A 57 -7.430 6.470 -5.402 1.00 0.00 C ATOM 836 C SER A 57 -7.630 6.441 -3.890 1.00 0.00 C ATOM 837 O SER A 57 -7.129 5.549 -3.203 1.00 0.00 O ATOM 838 CB SER A 57 -8.546 5.684 -6.091 1.00 0.00 C ATOM 839 OG SER A 57 -9.821 6.193 -5.739 1.00 0.00 O ATOM 0 H SER A 57 -6.026 4.924 -5.591 1.00 0.00 H new ATOM 0 HA SER A 57 -7.467 7.507 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.417 5.735 -7.172 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.481 4.633 -5.811 1.00 0.00 H new ATOM 0 HG SER A 57 -10.517 5.675 -6.194 1.00 0.00 H new ATOM 845 N PHE A 58 -8.364 7.422 -3.377 1.00 0.00 N ATOM 846 CA PHE A 58 -8.631 7.510 -1.946 1.00 0.00 C ATOM 847 C PHE A 58 -9.440 6.308 -1.468 1.00 0.00 C ATOM 848 O PHE A 58 -9.189 5.764 -0.393 1.00 0.00 O ATOM 849 CB PHE A 58 -9.380 8.804 -1.624 1.00 0.00 C ATOM 850 CG PHE A 58 -9.516 9.068 -0.151 1.00 0.00 C ATOM 851 CD1 PHE A 58 -10.606 8.585 0.555 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.554 9.799 0.527 1.00 0.00 C ATOM 853 CE1 PHE A 58 -10.734 8.826 1.910 1.00 0.00 C ATOM 854 CE2 PHE A 58 -8.676 10.042 1.882 1.00 0.00 C ATOM 855 CZ PHE A 58 -9.768 9.556 2.574 1.00 0.00 C ATOM 0 H PHE A 58 -8.785 8.168 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.675 7.512 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.859 9.641 -2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.373 8.760 -2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -11.364 8.014 0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.699 10.183 -0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -11.588 8.444 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.918 10.611 2.399 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.866 9.747 3.633 1.00 0.00 H new ATOM 865 N ASP A 59 -10.413 5.899 -2.275 1.00 0.00 N ATOM 866 CA ASP A 59 -11.260 4.762 -1.937 1.00 0.00 C ATOM 867 C ASP A 59 -10.433 3.485 -1.816 1.00 0.00 C ATOM 868 O ASP A 59 -10.692 2.646 -0.954 1.00 0.00 O ATOM 869 CB ASP A 59 -12.352 4.579 -2.992 1.00 0.00 C ATOM 870 CG ASP A 59 -12.975 5.895 -3.414 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.182 6.760 -2.538 1.00 0.00 O ATOM 872 OD2 ASP A 59 -13.257 6.059 -4.619 1.00 0.00 O ATOM 0 H ASP A 59 -10.634 6.339 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.728 4.964 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.929 4.084 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.128 3.923 -2.598 1.00 0.00 H new ATOM 877 N ALA A 60 -9.439 3.346 -2.687 1.00 0.00 N ATOM 878 CA ALA A 60 -8.574 2.173 -2.677 1.00 0.00 C ATOM 879 C ALA A 60 -7.898 2.000 -1.321 1.00 0.00 C ATOM 880 O ALA A 60 -7.626 0.880 -0.891 1.00 0.00 O ATOM 881 CB ALA A 60 -7.530 2.278 -3.779 1.00 0.00 C ATOM 0 H ALA A 60 -9.213 4.031 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.193 1.295 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.891 1.395 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.028 2.345 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.923 3.169 -3.621 1.00 0.00 H new ATOM 887 N SER A 61 -7.629 3.117 -0.653 1.00 0.00 N ATOM 888 CA SER A 61 -6.980 3.089 0.653 1.00 0.00 C ATOM 889 C SER A 61 -7.958 2.644 1.736 1.00 0.00 C ATOM 890 O SER A 61 -7.575 1.978 2.698 1.00 0.00 O ATOM 891 CB SER A 61 -6.417 4.470 0.996 1.00 0.00 C ATOM 892 OG SER A 61 -5.113 4.634 0.466 1.00 0.00 O ATOM 0 H SER A 61 -7.850 4.052 -0.994 1.00 0.00 H new ATOM 0 HA SER A 61 -6.161 2.371 0.609 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.074 5.243 0.599 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.392 4.598 2.078 1.00 0.00 H new ATOM 0 HG SER A 61 -4.801 3.782 0.095 1.00 0.00 H new ATOM 898 N ASP A 62 -9.222 3.016 1.572 1.00 0.00 N ATOM 899 CA ASP A 62 -10.257 2.654 2.534 1.00 0.00 C ATOM 900 C ASP A 62 -10.434 1.140 2.598 1.00 0.00 C ATOM 901 O ASP A 62 -10.466 0.554 3.680 1.00 0.00 O ATOM 902 CB ASP A 62 -11.583 3.320 2.163 1.00 0.00 C ATOM 903 CG ASP A 62 -12.552 3.370 3.328 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.282 4.116 4.292 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.579 2.661 3.277 1.00 0.00 O ATOM 0 H ASP A 62 -9.555 3.568 0.782 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.945 3.007 3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.391 4.333 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.041 2.776 1.337 1.00 0.00 H new ATOM 910 N ALA A 63 -10.550 0.513 1.432 1.00 0.00 N ATOM 911 CA ALA A 63 -10.723 -0.932 1.355 1.00 0.00 C ATOM 912 C ALA A 63 -9.771 -1.650 2.306 1.00 0.00 C ATOM 913 O ALA A 63 -10.184 -2.514 3.079 1.00 0.00 O ATOM 914 CB ALA A 63 -10.511 -1.415 -0.072 1.00 0.00 C ATOM 0 H ALA A 63 -10.527 0.984 0.527 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.743 -1.167 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.643 -2.496 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.235 -0.935 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.502 -1.160 -0.396 1.00 0.00 H new ATOM 920 N ALA A 64 -8.494 -1.287 2.242 1.00 0.00 N ATOM 921 CA ALA A 64 -7.483 -1.896 3.098 1.00 0.00 C ATOM 922 C ALA A 64 -7.803 -1.671 4.571 1.00 0.00 C ATOM 923 O ALA A 64 -7.986 -2.624 5.329 1.00 0.00 O ATOM 924 CB ALA A 64 -6.106 -1.342 2.764 1.00 0.00 C ATOM 0 H ALA A 64 -8.135 -0.574 1.606 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.485 -2.970 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.361 -1.805 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.869 -1.560 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.100 -0.263 2.919 1.00 0.00 H new ATOM 930 N ILE A 65 -7.870 -0.405 4.971 1.00 0.00 N ATOM 931 CA ILE A 65 -8.168 -0.056 6.354 1.00 0.00 C ATOM 932 C ILE A 65 -9.385 -0.821 6.864 1.00 0.00 C ATOM 933 O ILE A 65 -9.567 -0.984 8.070 1.00 0.00 O ATOM 934 CB ILE A 65 -8.423 1.455 6.511 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.196 2.250 6.061 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.776 1.786 7.953 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.424 3.745 6.025 1.00 0.00 C ATOM 0 H ILE A 65 -7.722 0.395 4.356 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.294 -0.332 6.944 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.266 1.734 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.366 2.033 6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.898 1.912 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.953 2.857 8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.676 1.243 8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.952 1.496 8.605 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.512 4.244 5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.232 3.973 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.692 4.096 7.021 1.00 0.00 H new ATOM 949 N GLU A 66 -10.215 -1.288 5.936 1.00 0.00 N ATOM 950 CA GLU A 66 -11.414 -2.037 6.292 1.00 0.00 C ATOM 951 C GLU A 66 -11.106 -3.526 6.427 1.00 0.00 C ATOM 952 O GLU A 66 -11.428 -4.148 7.439 1.00 0.00 O ATOM 953 CB GLU A 66 -12.506 -1.825 5.241 1.00 0.00 C ATOM 954 CG GLU A 66 -13.872 -2.332 5.672 1.00 0.00 C ATOM 955 CD GLU A 66 -14.794 -2.593 4.497 1.00 0.00 C ATOM 956 OE1 GLU A 66 -14.688 -3.678 3.888 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.622 -1.711 4.186 1.00 0.00 O ATOM 0 H GLU A 66 -10.079 -1.161 4.933 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.769 -1.668 7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.578 -0.761 5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.215 -2.329 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.750 -3.251 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.334 -1.601 6.336 1.00 0.00 H new ATOM 964 N ALA A 67 -10.481 -4.090 5.399 1.00 0.00 N ATOM 965 CA ALA A 67 -10.128 -5.505 5.403 1.00 0.00 C ATOM 966 C ALA A 67 -8.682 -5.708 5.843 1.00 0.00 C ATOM 967 O ALA A 67 -8.417 -6.370 6.846 1.00 0.00 O ATOM 968 CB ALA A 67 -10.352 -6.108 4.024 1.00 0.00 C ATOM 0 H ALA A 67 -10.209 -3.589 4.553 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.773 -6.014 6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.085 -7.165 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.401 -6.004 3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.731 -5.588 3.294 1.00 0.00 H new ATOM 974 N MET A 68 -7.752 -5.137 5.086 1.00 0.00 N ATOM 975 CA MET A 68 -6.332 -5.256 5.399 1.00 0.00 C ATOM 976 C MET A 68 -6.076 -4.973 6.876 1.00 0.00 C ATOM 977 O MET A 68 -5.261 -5.640 7.512 1.00 0.00 O ATOM 978 CB MET A 68 -5.515 -4.294 4.535 1.00 0.00 C ATOM 979 CG MET A 68 -5.118 -4.876 3.187 1.00 0.00 C ATOM 980 SD MET A 68 -3.533 -5.732 3.240 1.00 0.00 S ATOM 981 CE MET A 68 -4.071 -7.440 3.267 1.00 0.00 C ATOM 0 H MET A 68 -7.955 -4.587 4.251 1.00 0.00 H new ATOM 0 HA MET A 68 -6.022 -6.279 5.184 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.093 -3.384 4.373 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.614 -4.007 5.077 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.890 -5.569 2.853 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.069 -4.075 2.450 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.965 -7.839 4.276 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.116 -7.497 2.963 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.460 -8.025 2.579 1.00 0.00 H new ATOM 991 N ASN A 69 -6.777 -3.981 7.414 1.00 0.00 N ATOM 992 CA ASN A 69 -6.624 -3.610 8.817 1.00 0.00 C ATOM 993 C ASN A 69 -6.896 -4.803 9.728 1.00 0.00 C ATOM 994 O ASN A 69 -7.993 -4.952 10.263 1.00 0.00 O ATOM 995 CB ASN A 69 -7.570 -2.460 9.168 1.00 0.00 C ATOM 996 CG ASN A 69 -7.402 -1.990 10.600 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.537 -2.477 11.327 1.00 0.00 O ATOM 998 ND2 ASN A 69 -8.233 -1.039 11.011 1.00 0.00 N ATOM 0 H ASN A 69 -7.456 -3.419 6.901 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.595 -3.285 8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.390 -1.625 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.600 -2.780 9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.169 -0.683 11.965 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.935 -0.665 10.373 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.887 -5.652 9.899 1.00 0.00 N ATOM 1006 CA GLY A 70 -6.036 -6.821 10.746 1.00 0.00 C ATOM 1007 C GLY A 70 -5.744 -8.113 10.008 1.00 0.00 C ATOM 1008 O GLY A 70 -5.531 -9.154 10.629 1.00 0.00 O ATOM 0 H GLY A 70 -4.969 -5.551 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.365 -6.735 11.600 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.052 -6.853 11.140 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.735 -8.045 8.681 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.469 -9.220 7.859 1.00 0.00 C ATOM 1014 C GLN A 71 -4.275 -10.001 8.396 1.00 0.00 C ATOM 1015 O GLN A 71 -3.181 -9.457 8.548 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.212 -8.806 6.409 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.474 -8.730 5.565 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.115 -10.087 5.350 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -6.492 -11.003 4.813 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -8.368 -10.223 5.770 1.00 0.00 N ATOM 0 H GLN A 71 -5.909 -7.190 8.152 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.347 -9.864 7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.719 -7.834 6.399 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.523 -9.517 5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.191 -8.066 6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.234 -8.289 4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.847 -9.437 6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.851 -11.113 5.653 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.492 -11.280 8.683 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.434 -12.136 9.206 1.00 0.00 C ATOM 1031 C TYR A 72 -2.405 -12.453 8.125 1.00 0.00 C ATOM 1032 O TYR A 72 -2.597 -13.360 7.315 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.026 -13.434 9.758 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.259 -13.998 10.933 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.383 -13.441 12.200 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.409 -15.086 10.776 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.683 -13.952 13.276 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.707 -15.604 11.847 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.847 -15.034 13.095 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.149 -15.547 14.164 1.00 0.00 O ATOM 0 H TYR A 72 -5.391 -11.747 8.562 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.934 -11.600 10.013 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.057 -13.253 10.061 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.054 -14.178 8.962 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.038 -12.594 12.346 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.295 -15.534 9.800 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.790 -13.506 14.254 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.052 -16.451 11.708 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.607 -16.308 13.866 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.311 -11.698 8.120 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.249 -11.897 7.140 1.00 0.00 C ATOM 1052 C LEU A 73 0.748 -12.945 7.624 1.00 0.00 C ATOM 1053 O LEU A 73 0.664 -13.421 8.756 1.00 0.00 O ATOM 1054 CB LEU A 73 0.473 -10.577 6.867 1.00 0.00 C ATOM 1055 CG LEU A 73 1.261 -10.501 5.558 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.448 -11.084 4.412 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.657 -9.063 5.256 1.00 0.00 C ATOM 0 H LEU A 73 -1.137 -10.943 8.783 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.703 -12.254 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.265 -9.775 6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.158 -10.383 7.692 1.00 0.00 H new ATOM 0 HG LEU A 73 2.171 -11.091 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.024 -11.022 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.215 -12.127 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.479 -10.521 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.217 -9.028 4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.760 -8.450 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.278 -8.679 6.065 1.00 0.00 H new ATOM 1069 N CYS A 74 1.693 -13.298 6.759 1.00 0.00 N ATOM 1070 CA CYS A 74 2.709 -14.289 7.098 1.00 0.00 C ATOM 1071 C CYS A 74 3.018 -14.261 8.592 1.00 0.00 C ATOM 1072 O CYS A 74 3.898 -13.527 9.040 1.00 0.00 O ATOM 1073 CB CYS A 74 3.986 -14.036 6.296 1.00 0.00 C ATOM 1074 SG CYS A 74 5.190 -15.381 6.382 1.00 0.00 S ATOM 0 H CYS A 74 1.777 -12.913 5.818 1.00 0.00 H new ATOM 0 HA CYS A 74 2.319 -15.275 6.844 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.720 -13.867 5.253 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.454 -13.120 6.657 1.00 0.00 H new ATOM 0 HG CYS A 74 6.234 -15.075 5.671 1.00 0.00 H new ATOM 1080 N ASN A 75 2.287 -15.064 9.357 1.00 0.00 N ATOM 1081 CA ASN A 75 2.481 -15.130 10.801 1.00 0.00 C ATOM 1082 C ASN A 75 2.760 -13.745 11.376 1.00 0.00 C ATOM 1083 O ASN A 75 3.711 -13.556 12.134 1.00 0.00 O ATOM 1084 CB ASN A 75 3.636 -16.076 11.138 1.00 0.00 C ATOM 1085 CG ASN A 75 3.535 -17.397 10.401 1.00 0.00 C ATOM 1086 OD1 ASN A 75 3.567 -17.439 9.171 1.00 0.00 O ATOM 1087 ND2 ASN A 75 3.411 -18.486 11.152 1.00 0.00 N ATOM 0 H ASN A 75 1.555 -15.678 9.001 1.00 0.00 H new ATOM 0 HA ASN A 75 1.564 -15.512 11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.581 -15.595 10.887 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.648 -16.262 12.212 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.338 -19.403 10.712 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.389 -18.405 12.169 1.00 0.00 H new ATOM 1094 N ARG A 76 1.923 -12.779 11.010 1.00 0.00 N ATOM 1095 CA ARG A 76 2.079 -11.411 11.489 1.00 0.00 C ATOM 1096 C ARG A 76 0.875 -10.558 11.100 1.00 0.00 C ATOM 1097 O ARG A 76 0.690 -10.196 9.938 1.00 0.00 O ATOM 1098 CB ARG A 76 3.359 -10.793 10.925 1.00 0.00 C ATOM 1099 CG ARG A 76 4.614 -11.188 11.687 1.00 0.00 C ATOM 1100 CD ARG A 76 5.645 -10.071 11.680 1.00 0.00 C ATOM 1101 NE ARG A 76 6.965 -10.541 12.092 1.00 0.00 N ATOM 1102 CZ ARG A 76 7.285 -10.821 13.350 1.00 0.00 C ATOM 1103 NH1 ARG A 76 6.386 -10.680 14.314 1.00 0.00 N ATOM 1104 NH2 ARG A 76 8.508 -11.245 13.646 1.00 0.00 N ATOM 0 H ARG A 76 1.130 -12.919 10.384 1.00 0.00 H new ATOM 0 HA ARG A 76 2.146 -11.439 12.577 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.468 -11.092 9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.264 -9.707 10.937 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.353 -11.437 12.716 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.044 -12.085 11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.709 -9.643 10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.320 -9.273 12.348 1.00 0.00 H new ATOM 0 HE ARG A 76 7.680 -10.661 11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.445 -10.356 14.090 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.635 -10.896 15.279 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.202 -11.356 12.907 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.753 -11.460 14.612 1.00 0.00 H new ATOM 1118 N PRO A 77 0.036 -10.229 12.093 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.164 -9.416 11.879 1.00 0.00 C ATOM 1120 C PRO A 77 -0.830 -7.965 11.550 1.00 0.00 C ATOM 1121 O PRO A 77 -0.548 -7.165 12.443 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.897 -9.505 13.220 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.828 -9.788 14.218 1.00 0.00 C ATOM 1124 CD PRO A 77 0.194 -10.627 13.502 1.00 0.00 C ATOM 0 HA PRO A 77 -1.751 -9.772 11.032 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.417 -8.575 13.450 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.648 -10.295 13.209 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.384 -8.864 14.588 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.231 -10.316 15.082 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.202 -10.428 13.865 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.009 -11.692 13.642 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.863 -7.632 10.264 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.565 -6.276 9.818 1.00 0.00 C ATOM 1134 C ILE A 78 -1.696 -5.318 10.177 1.00 0.00 C ATOM 1135 O ILE A 78 -2.821 -5.741 10.446 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.325 -6.223 8.298 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.623 -6.521 7.544 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.763 -7.208 7.899 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.455 -6.556 6.042 1.00 0.00 C ATOM 0 H ILE A 78 -1.093 -8.282 9.513 1.00 0.00 H new ATOM 0 HA ILE A 78 0.346 -5.968 10.332 1.00 0.00 H new ATOM 0 HB ILE A 78 0.006 -5.219 8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.017 -7.480 7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.365 -5.765 7.801 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.921 -7.159 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.690 -6.955 8.414 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.459 -8.218 8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.415 -6.772 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.091 -5.589 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.738 -7.332 5.774 1.00 0.00 H new ATOM 1151 N THR A 79 -1.390 -4.024 10.178 1.00 0.00 N ATOM 1152 CA THR A 79 -2.380 -3.006 10.502 1.00 0.00 C ATOM 1153 C THR A 79 -2.345 -1.863 9.494 1.00 0.00 C ATOM 1154 O THR A 79 -1.277 -1.353 9.155 1.00 0.00 O ATOM 1155 CB THR A 79 -2.156 -2.434 11.915 1.00 0.00 C ATOM 1156 OG1 THR A 79 -2.850 -1.190 12.056 1.00 0.00 O ATOM 1157 CG2 THR A 79 -0.674 -2.228 12.187 1.00 0.00 C ATOM 0 H THR A 79 -0.464 -3.657 9.958 1.00 0.00 H new ATOM 0 HA THR A 79 -3.355 -3.491 10.464 1.00 0.00 H new ATOM 0 HB THR A 79 -2.545 -3.150 12.639 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.704 -0.834 12.957 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.541 -1.824 13.190 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.154 -3.183 12.109 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.264 -1.530 11.457 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.520 -1.465 9.016 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.624 -0.381 8.047 1.00 0.00 C ATOM 1167 C VAL A 80 -4.247 0.860 8.675 1.00 0.00 C ATOM 1168 O VAL A 80 -5.357 0.810 9.206 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.461 -0.800 6.824 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.562 0.346 5.828 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.865 -2.036 6.168 1.00 0.00 C ATOM 0 H VAL A 80 -4.413 -1.878 9.284 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.610 -0.149 7.722 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.468 -1.046 7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.157 0.031 4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.038 1.202 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.563 0.626 5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.469 -2.318 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.847 -1.820 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.851 -2.857 6.885 1.00 0.00 H new ATOM 1181 N SER A 81 -3.526 1.975 8.610 1.00 0.00 N ATOM 1182 CA SER A 81 -4.007 3.230 9.176 1.00 0.00 C ATOM 1183 C SER A 81 -3.503 4.420 8.364 1.00 0.00 C ATOM 1184 O SER A 81 -2.371 4.422 7.882 1.00 0.00 O ATOM 1185 CB SER A 81 -3.556 3.364 10.632 1.00 0.00 C ATOM 1186 OG SER A 81 -4.465 2.720 11.508 1.00 0.00 O ATOM 0 H SER A 81 -2.607 2.035 8.171 1.00 0.00 H new ATOM 0 HA SER A 81 -5.096 3.222 9.140 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.563 2.930 10.750 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.477 4.419 10.896 1.00 0.00 H new ATOM 0 HG SER A 81 -4.925 1.999 11.030 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.353 5.431 8.219 1.00 0.00 N ATOM 1193 CA TYR A 82 -3.997 6.626 7.464 1.00 0.00 C ATOM 1194 C TYR A 82 -2.788 7.321 8.083 1.00 0.00 C ATOM 1195 O TYR A 82 -2.685 7.443 9.303 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.181 7.592 7.409 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.099 7.358 6.231 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.597 7.282 4.938 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.470 7.213 6.411 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.433 7.069 3.858 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.313 6.998 5.338 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.789 6.928 4.063 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.625 6.714 2.991 1.00 0.00 O ATOM 0 H TYR A 82 -5.293 5.446 8.614 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.739 6.320 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.756 7.502 8.331 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.804 8.614 7.368 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.535 7.391 4.774 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.883 7.269 7.407 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.026 7.013 2.859 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.375 6.885 5.496 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.065 7.555 2.746 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.874 7.774 7.231 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.673 8.459 7.692 1.00 0.00 C ATOM 1215 C ALA A 83 -0.980 9.898 8.092 1.00 0.00 C ATOM 1216 O ALA A 83 -1.966 10.481 7.641 1.00 0.00 O ATOM 1217 CB ALA A 83 0.400 8.427 6.614 1.00 0.00 C ATOM 0 H ALA A 83 -1.943 7.679 6.218 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.303 7.936 8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.291 8.942 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.649 7.392 6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.030 8.924 5.717 1.00 0.00 H new ATOM 1223 N PHE A 84 -0.131 10.466 8.942 1.00 0.00 N ATOM 1224 CA PHE A 84 -0.314 11.837 9.404 1.00 0.00 C ATOM 1225 C PHE A 84 -0.792 12.735 8.267 1.00 0.00 C ATOM 1226 O PHE A 84 -0.076 12.955 7.290 1.00 0.00 O ATOM 1227 CB PHE A 84 0.994 12.381 9.982 1.00 0.00 C ATOM 1228 CG PHE A 84 1.004 13.874 10.140 1.00 0.00 C ATOM 1229 CD1 PHE A 84 0.250 14.485 11.129 1.00 0.00 C ATOM 1230 CD2 PHE A 84 1.768 14.668 9.300 1.00 0.00 C ATOM 1231 CE1 PHE A 84 0.257 15.859 11.277 1.00 0.00 C ATOM 1232 CE2 PHE A 84 1.780 16.042 9.443 1.00 0.00 C ATOM 1233 CZ PHE A 84 1.022 16.639 10.432 1.00 0.00 C ATOM 0 H PHE A 84 0.691 9.998 9.325 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.075 11.832 10.184 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.172 11.920 10.953 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.819 12.087 9.333 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.350 13.880 11.792 1.00 0.00 H new ATOM 0 HD2 PHE A 84 2.361 14.207 8.524 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.335 16.322 12.052 1.00 0.00 H new ATOM 0 HE2 PHE A 84 2.381 16.649 8.782 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.028 17.713 10.544 1.00 0.00 H new ATOM 1243 N LYS A 85 -2.010 13.250 8.401 1.00 0.00 N ATOM 1244 CA LYS A 85 -2.586 14.125 7.387 1.00 0.00 C ATOM 1245 C LYS A 85 -2.953 15.480 7.983 1.00 0.00 C ATOM 1246 O LYS A 85 -2.973 15.650 9.202 1.00 0.00 O ATOM 1247 CB LYS A 85 -3.826 13.475 6.768 1.00 0.00 C ATOM 1248 CG LYS A 85 -4.205 14.053 5.416 1.00 0.00 C ATOM 1249 CD LYS A 85 -4.937 13.033 4.559 1.00 0.00 C ATOM 1250 CE LYS A 85 -5.814 13.709 3.516 1.00 0.00 C ATOM 1251 NZ LYS A 85 -5.059 14.007 2.267 1.00 0.00 N ATOM 0 H LYS A 85 -2.617 13.076 9.202 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.838 14.280 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.649 12.405 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.667 13.591 7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.836 14.930 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.307 14.388 4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.213 12.386 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.551 12.396 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.663 13.066 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.218 14.635 3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.691 14.467 1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.264 14.641 2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.695 13.121 1.862 1.00 0.00 H new ATOM 1265 N LYS A 86 -3.246 16.443 7.115 1.00 0.00 N ATOM 1266 CA LYS A 86 -3.616 17.783 7.554 1.00 0.00 C ATOM 1267 C LYS A 86 -5.128 17.906 7.713 1.00 0.00 C ATOM 1268 O LYS A 86 -5.891 17.371 6.909 1.00 0.00 O ATOM 1269 CB LYS A 86 -3.111 18.827 6.556 1.00 0.00 C ATOM 1270 CG LYS A 86 -3.501 20.251 6.914 1.00 0.00 C ATOM 1271 CD LYS A 86 -3.563 21.139 5.683 1.00 0.00 C ATOM 1272 CE LYS A 86 -3.505 22.612 6.055 1.00 0.00 C ATOM 1273 NZ LYS A 86 -4.193 23.466 5.048 1.00 0.00 N ATOM 0 H LYS A 86 -3.234 16.320 6.103 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.151 17.961 8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.025 18.762 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.502 18.590 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.471 20.249 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.780 20.659 7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.734 20.898 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.483 20.937 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.967 22.758 7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.464 22.923 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.131 24.463 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.737 23.346 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.192 23.186 4.980 1.00 0.00 H new ATOM 1287 N ASP A 87 -5.553 18.614 8.754 1.00 0.00 N ATOM 1288 CA ASP A 87 -6.974 18.809 9.016 1.00 0.00 C ATOM 1289 C ASP A 87 -7.275 20.274 9.314 1.00 0.00 C ATOM 1290 O ASP A 87 -6.865 20.806 10.346 1.00 0.00 O ATOM 1291 CB ASP A 87 -7.423 17.935 10.189 1.00 0.00 C ATOM 1292 CG ASP A 87 -8.796 18.317 10.704 1.00 0.00 C ATOM 1293 OD1 ASP A 87 -9.795 17.976 10.037 1.00 0.00 O ATOM 1294 OD2 ASP A 87 -8.872 18.959 11.773 1.00 0.00 O ATOM 0 H ASP A 87 -4.934 19.062 9.430 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.526 18.517 8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.433 16.891 9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.698 18.019 10.999 1.00 0.00 H new ATOM 1299 N SER A 88 -7.994 20.923 8.403 1.00 0.00 N ATOM 1300 CA SER A 88 -8.346 22.328 8.566 1.00 0.00 C ATOM 1301 C SER A 88 -8.888 22.594 9.967 1.00 0.00 C ATOM 1302 O SER A 88 -9.613 21.774 10.532 1.00 0.00 O ATOM 1303 CB SER A 88 -9.384 22.740 7.519 1.00 0.00 C ATOM 1304 OG SER A 88 -8.807 22.799 6.226 1.00 0.00 O ATOM 0 H SER A 88 -8.344 20.498 7.545 1.00 0.00 H new ATOM 0 HA SER A 88 -7.443 22.922 8.426 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.209 22.028 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.802 23.713 7.779 1.00 0.00 H new ATOM 0 HG SER A 88 -9.490 23.063 5.575 1.00 0.00 H new ATOM 1310 N LYS A 89 -8.531 23.746 10.524 1.00 0.00 N ATOM 1311 CA LYS A 89 -8.980 24.124 11.859 1.00 0.00 C ATOM 1312 C LYS A 89 -10.335 24.821 11.799 1.00 0.00 C ATOM 1313 O LYS A 89 -10.438 25.963 11.353 1.00 0.00 O ATOM 1314 CB LYS A 89 -7.952 25.040 12.525 1.00 0.00 C ATOM 1315 CG LYS A 89 -6.603 24.378 12.750 1.00 0.00 C ATOM 1316 CD LYS A 89 -5.489 25.406 12.859 1.00 0.00 C ATOM 1317 CE LYS A 89 -5.537 26.141 14.190 1.00 0.00 C ATOM 1318 NZ LYS A 89 -5.158 25.256 15.326 1.00 0.00 N ATOM 0 H LYS A 89 -7.931 24.435 10.071 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.084 23.215 12.451 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.813 25.927 11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.346 25.378 13.483 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.638 23.780 13.660 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.390 23.695 11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.524 24.911 12.750 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.573 26.123 12.043 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.864 26.997 14.156 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.541 26.532 14.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.956 25.836 16.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.942 24.605 15.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.312 24.708 15.072 1.00 0.00 H new ATOM 1332 N GLY A 90 -11.374 24.127 12.255 1.00 0.00 N ATOM 1333 CA GLY A 90 -12.709 24.697 12.246 1.00 0.00 C ATOM 1334 C GLY A 90 -13.503 24.332 13.484 1.00 0.00 C ATOM 1335 O GLY A 90 -13.515 25.076 14.464 1.00 0.00 O ATOM 0 H GLY A 90 -11.315 23.180 12.630 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -12.637 25.782 12.171 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -13.243 24.351 11.361 1.00 0.00 H new ATOM 1339 N SER A 91 -14.171 23.183 13.439 1.00 0.00 N ATOM 1340 CA SER A 91 -14.977 22.723 14.564 1.00 0.00 C ATOM 1341 C SER A 91 -16.185 23.631 14.773 1.00 0.00 C ATOM 1342 O SER A 91 -16.512 23.998 15.901 1.00 0.00 O ATOM 1343 CB SER A 91 -14.132 22.678 15.839 1.00 0.00 C ATOM 1344 OG SER A 91 -14.695 21.794 16.792 1.00 0.00 O ATOM 0 H SER A 91 -14.170 22.554 12.636 1.00 0.00 H new ATOM 0 HA SER A 91 -15.334 21.718 14.337 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.118 22.359 15.596 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.058 23.678 16.265 1.00 0.00 H new ATOM 0 HG SER A 91 -15.606 22.084 17.009 1.00 0.00 H new ATOM 1350 N GLY A 92 -16.846 23.988 13.676 1.00 0.00 N ATOM 1351 CA GLY A 92 -18.011 24.850 13.760 1.00 0.00 C ATOM 1352 C GLY A 92 -17.746 26.107 14.564 1.00 0.00 C ATOM 1353 O GLY A 92 -18.040 26.179 15.757 1.00 0.00 O ATOM 0 H GLY A 92 -16.596 23.696 12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -18.328 25.126 12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -18.835 24.299 14.214 1.00 0.00 H new ATOM 1357 N PRO A 93 -17.176 27.126 13.905 1.00 0.00 N ATOM 1358 CA PRO A 93 -16.858 28.405 14.548 1.00 0.00 C ATOM 1359 C PRO A 93 -18.108 29.203 14.901 1.00 0.00 C ATOM 1360 O PRO A 93 -18.747 29.792 14.029 1.00 0.00 O ATOM 1361 CB PRO A 93 -16.036 29.140 13.487 1.00 0.00 C ATOM 1362 CG PRO A 93 -16.473 28.549 12.191 1.00 0.00 C ATOM 1363 CD PRO A 93 -16.799 27.110 12.482 1.00 0.00 C ATOM 0 HA PRO A 93 -16.333 28.267 15.493 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.223 30.214 13.515 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.967 28.998 13.646 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -17.343 29.074 11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.686 28.627 11.441 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.614 26.748 11.855 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.943 26.460 12.300 1.00 0.00 H new ATOM 1371 N SER A 94 -18.452 29.219 16.185 1.00 0.00 N ATOM 1372 CA SER A 94 -19.628 29.943 16.652 1.00 0.00 C ATOM 1373 C SER A 94 -19.329 31.432 16.794 1.00 0.00 C ATOM 1374 O SER A 94 -18.203 31.875 16.569 1.00 0.00 O ATOM 1375 CB SER A 94 -20.103 29.377 17.992 1.00 0.00 C ATOM 1376 OG SER A 94 -19.231 29.756 19.043 1.00 0.00 O ATOM 0 H SER A 94 -17.933 28.739 16.920 1.00 0.00 H new ATOM 0 HA SER A 94 -20.418 29.818 15.912 1.00 0.00 H new ATOM 0 HB2 SER A 94 -21.111 29.734 18.205 1.00 0.00 H new ATOM 0 HB3 SER A 94 -20.156 28.290 17.933 1.00 0.00 H new ATOM 0 HG SER A 94 -19.557 29.384 19.889 1.00 0.00 H new ATOM 1382 N SER A 95 -20.347 32.201 17.169 1.00 0.00 N ATOM 1383 CA SER A 95 -20.195 33.642 17.337 1.00 0.00 C ATOM 1384 C SER A 95 -21.318 34.209 18.200 1.00 0.00 C ATOM 1385 O SER A 95 -22.320 33.541 18.453 1.00 0.00 O ATOM 1386 CB SER A 95 -20.183 34.337 15.975 1.00 0.00 C ATOM 1387 OG SER A 95 -21.338 34.007 15.223 1.00 0.00 O ATOM 0 H SER A 95 -21.285 31.850 17.362 1.00 0.00 H new ATOM 0 HA SER A 95 -19.245 33.826 17.839 1.00 0.00 H new ATOM 0 HB2 SER A 95 -20.133 35.417 16.115 1.00 0.00 H new ATOM 0 HB3 SER A 95 -19.290 34.045 15.422 1.00 0.00 H new ATOM 0 HG SER A 95 -21.307 34.465 14.357 1.00 0.00 H new ATOM 1393 N GLY A 96 -21.142 35.448 18.650 1.00 0.00 N ATOM 1394 CA GLY A 96 -22.148 36.085 19.480 1.00 0.00 C ATOM 1395 C GLY A 96 -22.345 35.371 20.803 1.00 0.00 C ATOM 1396 O GLY A 96 -21.391 34.858 21.387 1.00 0.00 O ATOM 0 H GLY A 96 -20.321 36.021 18.455 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.858 37.119 19.668 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -23.095 36.113 18.941 1.00 0.00 H new TER 1400 GLY A 96