USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 817 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -178:sc= 0 (180deg=-0.004) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -64:sc= 0.465 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc=0.000558 X(o=0.00056,f=-0.022) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -130:sc= -0.0037 (180deg=-0.873) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 136:sc= 0.319 USER MOD Single : A 65 ASN : amide:sc= 0.0119 K(o=0.012,f=-0.55) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -179:sc= 0 (180deg=-0.00258) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 161:sc= 0.0752 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.044 -31.667 -2.655 1.00 0.00 N ATOM 2 CA GLY A 1 -12.141 -30.209 -2.959 1.00 0.00 C ATOM 3 C GLY A 1 -11.097 -29.377 -2.218 1.00 0.00 C ATOM 4 O GLY A 1 -11.270 -29.104 -0.999 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.776 -32.182 -3.185 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.105 -32.018 -2.932 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.183 -31.819 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.024 -30.058 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.137 -29.853 -2.694 1.00 0.00 H new ATOM 10 N ALA A 2 -9.986 -28.957 -3.007 1.00 0.00 N ATOM 11 CA ALA A 2 -8.794 -28.114 -2.532 1.00 0.00 C ATOM 12 C ALA A 2 -8.864 -26.606 -3.032 1.00 0.00 C ATOM 13 O ALA A 2 -9.109 -26.331 -4.261 1.00 0.00 O ATOM 14 CB ALA A 2 -7.435 -28.801 -2.920 1.00 0.00 C ATOM 0 H ALA A 2 -9.911 -29.205 -3.993 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.849 -28.067 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.604 -28.186 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.378 -29.784 -2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.379 -28.910 -4.003 1.00 0.00 H new ATOM 20 N MET A 3 -8.681 -25.629 -2.008 1.00 0.00 N ATOM 21 CA MET A 3 -8.717 -24.092 -2.189 1.00 0.00 C ATOM 22 C MET A 3 -7.318 -23.388 -1.994 1.00 0.00 C ATOM 23 O MET A 3 -6.543 -23.716 -1.034 1.00 0.00 O ATOM 24 CB MET A 3 -9.866 -23.388 -1.317 1.00 0.00 C ATOM 25 CG MET A 3 -11.274 -23.434 -1.938 1.00 0.00 C ATOM 26 SD MET A 3 -12.551 -22.772 -0.851 1.00 0.00 S ATOM 27 CE MET A 3 -14.008 -22.981 -1.871 1.00 0.00 C ATOM 0 H MET A 3 -8.505 -25.898 -1.040 1.00 0.00 H new ATOM 0 HA MET A 3 -8.976 -23.947 -3.238 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.901 -23.865 -0.338 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.591 -22.346 -1.154 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.271 -22.870 -2.871 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.519 -24.466 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 3 -14.883 -22.616 -1.334 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.888 -22.417 -2.796 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.140 -24.037 -2.105 1.00 0.00 H new ATOM 37 N GLU A 4 -7.024 -22.412 -2.979 1.00 0.00 N ATOM 38 CA GLU A 4 -5.758 -21.521 -3.063 1.00 0.00 C ATOM 39 C GLU A 4 -6.093 -19.960 -2.766 1.00 0.00 C ATOM 40 O GLU A 4 -7.281 -19.604 -2.507 1.00 0.00 O ATOM 41 CB GLU A 4 -4.926 -21.734 -4.448 1.00 0.00 C ATOM 42 CG GLU A 4 -4.204 -23.123 -4.638 1.00 0.00 C ATOM 43 CD GLU A 4 -3.423 -23.267 -5.966 1.00 0.00 C ATOM 44 OE1 GLU A 4 -4.023 -23.737 -6.973 1.00 0.00 O ATOM 45 OE2 GLU A 4 -2.205 -22.942 -5.989 1.00 0.00 O ATOM 0 H GLU A 4 -7.671 -22.224 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.092 -21.854 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.613 -21.591 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.174 -20.948 -4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.514 -23.276 -3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.950 -23.916 -4.583 1.00 0.00 H new ATOM 52 N MET A 5 -5.000 -19.034 -2.843 1.00 0.00 N ATOM 53 CA MET A 5 -4.956 -17.527 -2.470 1.00 0.00 C ATOM 54 C MET A 5 -5.775 -16.555 -3.435 1.00 0.00 C ATOM 55 O MET A 5 -6.089 -16.920 -4.617 1.00 0.00 O ATOM 56 CB MET A 5 -3.444 -17.043 -2.427 1.00 0.00 C ATOM 57 CG MET A 5 -2.538 -17.565 -1.329 1.00 0.00 C ATOM 58 SD MET A 5 -2.858 -16.933 0.342 1.00 0.00 S ATOM 59 CE MET A 5 -1.607 -17.826 1.267 1.00 0.00 C ATOM 0 H MET A 5 -4.091 -19.347 -3.184 1.00 0.00 H new ATOM 0 HA MET A 5 -5.444 -17.460 -1.498 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.988 -17.303 -3.382 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.448 -15.955 -2.361 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.619 -18.652 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.507 -17.328 -1.593 1.00 0.00 H new ATOM 0 HE1 MET A 5 -1.690 -17.578 2.325 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.752 -18.898 1.133 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.618 -17.545 0.905 1.00 0.00 H new ATOM 69 N GLU A 6 -6.092 -15.289 -2.858 1.00 0.00 N ATOM 70 CA GLU A 6 -6.961 -14.192 -3.525 1.00 0.00 C ATOM 71 C GLU A 6 -6.309 -12.759 -3.544 1.00 0.00 C ATOM 72 O GLU A 6 -6.144 -12.111 -2.480 1.00 0.00 O ATOM 73 CB GLU A 6 -8.574 -14.222 -3.152 1.00 0.00 C ATOM 74 CG GLU A 6 -9.022 -14.164 -1.616 1.00 0.00 C ATOM 75 CD GLU A 6 -10.550 -14.200 -1.394 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.180 -13.108 -1.349 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.111 -15.317 -1.236 1.00 0.00 O ATOM 0 H GLU A 6 -5.754 -15.015 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.962 -14.492 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.044 -13.382 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.993 -15.132 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.571 -15.003 -1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.624 -13.253 -1.168 1.00 0.00 H new ATOM 84 N TYR A 7 -5.931 -12.309 -4.821 1.00 0.00 N ATOM 85 CA TYR A 7 -5.242 -10.968 -5.156 1.00 0.00 C ATOM 86 C TYR A 7 -6.179 -9.967 -5.939 1.00 0.00 C ATOM 87 O TYR A 7 -7.039 -10.401 -6.783 1.00 0.00 O ATOM 88 CB TYR A 7 -3.865 -11.215 -5.979 1.00 0.00 C ATOM 89 CG TYR A 7 -2.705 -12.059 -5.311 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.726 -13.472 -5.291 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.603 -11.427 -4.755 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.705 -14.202 -4.747 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.550 -12.164 -4.196 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.607 -13.552 -4.203 1.00 0.00 C ATOM 95 OH TYR A 7 0.421 -14.284 -3.654 1.00 0.00 O ATOM 0 H TYR A 7 -6.098 -12.873 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.010 -10.498 -4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.127 -11.704 -6.917 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.455 -10.237 -6.232 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.572 -13.990 -5.717 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.555 -10.348 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.754 -15.281 -4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.299 -11.657 -3.763 1.00 0.00 H new ATOM 0 HH TYR A 7 1.113 -13.676 -3.318 1.00 0.00 H new ATOM 105 N GLU A 8 -5.985 -8.592 -5.619 1.00 0.00 N ATOM 106 CA GLU A 8 -6.775 -7.401 -6.223 1.00 0.00 C ATOM 107 C GLU A 8 -5.870 -6.283 -6.848 1.00 0.00 C ATOM 108 O GLU A 8 -4.853 -5.849 -6.227 1.00 0.00 O ATOM 109 CB GLU A 8 -7.835 -6.764 -5.209 1.00 0.00 C ATOM 110 CG GLU A 8 -9.300 -7.245 -5.383 1.00 0.00 C ATOM 111 CD GLU A 8 -10.322 -6.574 -4.429 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.550 -7.114 -3.309 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.916 -5.530 -4.815 1.00 0.00 O ATOM 0 H GLU A 8 -5.283 -8.291 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.332 -7.853 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.517 -6.987 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.812 -5.680 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.609 -7.060 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.334 -8.324 -5.229 1.00 0.00 H new ATOM 120 N GLU A 9 -6.270 -5.851 -8.149 1.00 0.00 N ATOM 121 CA GLU A 9 -5.672 -4.680 -8.922 1.00 0.00 C ATOM 122 C GLU A 9 -6.680 -3.443 -9.004 1.00 0.00 C ATOM 123 O GLU A 9 -7.757 -3.524 -9.694 1.00 0.00 O ATOM 124 CB GLU A 9 -4.978 -5.104 -10.346 1.00 0.00 C ATOM 125 CG GLU A 9 -5.840 -5.853 -11.483 1.00 0.00 C ATOM 126 CD GLU A 9 -5.049 -6.192 -12.764 1.00 0.00 C ATOM 127 OE1 GLU A 9 -5.022 -5.347 -13.699 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.481 -7.313 -12.843 1.00 0.00 O ATOM 0 H GLU A 9 -7.014 -6.319 -8.666 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.824 -4.323 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.578 -4.194 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.128 -5.745 -10.112 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.245 -6.775 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.689 -5.224 -11.751 1.00 0.00 H new ATOM 135 N ILE A 10 -6.309 -2.331 -8.226 1.00 0.00 N ATOM 136 CA ILE A 10 -7.149 -1.020 -8.076 1.00 0.00 C ATOM 137 C ILE A 10 -6.364 0.270 -8.750 1.00 0.00 C ATOM 138 O ILE A 10 -5.113 0.347 -8.706 1.00 0.00 O ATOM 139 CB ILE A 10 -7.615 -0.764 -6.438 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.370 -2.058 -5.794 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.587 0.514 -6.241 1.00 0.00 C ATOM 142 CD1 ILE A 10 -8.062 -2.355 -4.290 1.00 0.00 C ATOM 0 H ILE A 10 -5.440 -2.307 -7.692 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.077 -1.133 -8.637 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.672 -0.583 -5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.445 -1.917 -5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.103 -2.938 -6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.842 0.618 -5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.077 1.415 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.498 0.371 -6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.619 -3.236 -3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.994 -2.536 -4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.358 -1.500 -3.682 1.00 0.00 H new ATOM 154 N THR A 11 -7.218 1.243 -9.365 1.00 0.00 N ATOM 155 CA THR A 11 -6.806 2.626 -9.941 1.00 0.00 C ATOM 156 C THR A 11 -7.360 3.853 -9.110 1.00 0.00 C ATOM 157 O THR A 11 -8.597 3.935 -8.804 1.00 0.00 O ATOM 158 CB THR A 11 -7.107 2.860 -11.517 1.00 0.00 C ATOM 159 OG1 THR A 11 -8.158 2.026 -12.048 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.841 2.805 -12.379 1.00 0.00 C ATOM 0 H THR A 11 -8.219 1.074 -9.469 1.00 0.00 H new ATOM 0 HA THR A 11 -5.722 2.586 -9.838 1.00 0.00 H new ATOM 0 HB THR A 11 -7.488 3.880 -11.573 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.283 2.224 -13.000 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.105 2.968 -13.424 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.146 3.580 -12.055 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.370 1.828 -12.272 1.00 0.00 H new ATOM 168 N LEU A 12 -6.362 4.784 -8.723 1.00 0.00 N ATOM 169 CA LEU A 12 -6.567 6.119 -7.995 1.00 0.00 C ATOM 170 C LEU A 12 -5.869 7.333 -8.724 1.00 0.00 C ATOM 171 O LEU A 12 -4.803 7.160 -9.389 1.00 0.00 O ATOM 172 CB LEU A 12 -6.113 6.059 -6.394 1.00 0.00 C ATOM 173 CG LEU A 12 -6.990 5.332 -5.228 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.467 5.795 -5.072 1.00 0.00 C ATOM 175 CD2 LEU A 12 -6.855 3.804 -5.188 1.00 0.00 C ATOM 0 H LEU A 12 -5.376 4.609 -8.920 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.643 6.293 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.129 5.590 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.980 7.093 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.499 5.715 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.940 5.236 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.492 6.860 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.005 5.614 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.472 3.405 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.184 3.385 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.813 3.535 -5.014 1.00 0.00 H new ATOM 187 N GLU A 13 -6.528 8.590 -8.578 1.00 0.00 N ATOM 188 CA GLU A 13 -6.053 9.950 -9.144 1.00 0.00 C ATOM 189 C GLU A 13 -5.355 10.817 -7.994 1.00 0.00 C ATOM 190 O GLU A 13 -5.949 11.035 -6.881 1.00 0.00 O ATOM 191 CB GLU A 13 -7.248 10.789 -9.836 1.00 0.00 C ATOM 192 CG GLU A 13 -7.988 10.155 -11.056 1.00 0.00 C ATOM 193 CD GLU A 13 -9.170 10.986 -11.608 1.00 0.00 C ATOM 194 OE1 GLU A 13 -10.324 10.785 -11.138 1.00 0.00 O ATOM 195 OE2 GLU A 13 -8.947 11.814 -12.532 1.00 0.00 O ATOM 0 H GLU A 13 -7.404 8.674 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.325 9.733 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.993 11.001 -9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.839 11.747 -10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.267 10.000 -11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.359 9.172 -10.766 1.00 0.00 H new ATOM 202 N ARG A 14 -4.064 11.299 -8.318 1.00 0.00 N ATOM 203 CA ARG A 14 -3.103 12.089 -7.417 1.00 0.00 C ATOM 204 C ARG A 14 -3.343 13.669 -7.470 1.00 0.00 C ATOM 205 O ARG A 14 -3.291 14.305 -8.576 1.00 0.00 O ATOM 206 CB ARG A 14 -1.537 11.603 -7.724 1.00 0.00 C ATOM 207 CG ARG A 14 -0.212 12.319 -7.049 1.00 0.00 C ATOM 208 CD ARG A 14 -0.038 12.250 -5.475 1.00 0.00 C ATOM 209 NE ARG A 14 -0.962 13.195 -4.698 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.741 13.886 -3.478 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.420 13.825 -2.757 1.00 0.00 N ATOM 212 NH2 ARG A 14 -1.715 14.647 -3.007 1.00 0.00 N ATOM 0 H ARG A 14 -3.663 11.138 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.314 11.852 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.485 10.548 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.403 11.665 -8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.673 11.872 -7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.220 13.370 -7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.222 11.228 -5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.997 12.484 -5.225 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.876 13.351 -5.123 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.198 13.255 -3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.508 14.350 -1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.594 14.724 -3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.587 15.156 -2.133 1.00 0.00 H new ATOM 226 N GLY A 15 -3.655 14.227 -6.214 1.00 0.00 N ATOM 227 CA GLY A 15 -3.770 15.738 -5.921 1.00 0.00 C ATOM 228 C GLY A 15 -5.118 16.487 -6.244 1.00 0.00 C ATOM 229 O GLY A 15 -5.063 17.715 -6.518 1.00 0.00 O ATOM 0 H GLY A 15 -3.831 13.650 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.561 15.883 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.976 16.240 -6.474 1.00 0.00 H new ATOM 233 N ASN A 16 -6.319 15.724 -6.217 1.00 0.00 N ATOM 234 CA ASN A 16 -7.769 16.283 -6.382 1.00 0.00 C ATOM 235 C ASN A 16 -8.444 16.684 -4.990 1.00 0.00 C ATOM 236 O ASN A 16 -9.124 17.750 -4.910 1.00 0.00 O ATOM 237 CB ASN A 16 -8.715 15.325 -7.267 1.00 0.00 C ATOM 238 CG ASN A 16 -8.419 15.321 -8.797 1.00 0.00 C ATOM 239 OD1 ASN A 16 -8.977 16.128 -9.552 1.00 0.00 O ATOM 240 ND2 ASN A 16 -7.565 14.397 -9.248 1.00 0.00 N ATOM 0 H ASN A 16 -6.308 14.713 -6.081 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.661 17.209 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.622 14.305 -6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.752 15.626 -7.116 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.354 14.340 -10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.124 13.749 -8.596 1.00 0.00 H new ATOM 247 N SER A 17 -8.205 15.785 -3.895 1.00 0.00 N ATOM 248 CA SER A 17 -8.594 15.988 -2.432 1.00 0.00 C ATOM 249 C SER A 17 -7.321 16.008 -1.426 1.00 0.00 C ATOM 250 O SER A 17 -7.428 16.613 -0.307 1.00 0.00 O ATOM 251 CB SER A 17 -9.721 14.930 -1.967 1.00 0.00 C ATOM 252 OG SER A 17 -9.335 13.552 -2.150 1.00 0.00 O ATOM 0 H SER A 17 -7.728 14.895 -4.039 1.00 0.00 H new ATOM 0 HA SER A 17 -9.032 16.984 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.951 15.097 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.637 15.119 -2.527 1.00 0.00 H new ATOM 0 HG SER A 17 -10.060 12.966 -1.848 1.00 0.00 H new ATOM 258 N GLY A 18 -6.099 15.381 -1.895 1.00 0.00 N ATOM 259 CA GLY A 18 -4.820 15.249 -1.111 1.00 0.00 C ATOM 260 C GLY A 18 -4.486 13.780 -0.698 1.00 0.00 C ATOM 261 O GLY A 18 -3.543 13.569 0.093 1.00 0.00 O ATOM 0 H GLY A 18 -6.028 14.973 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.997 15.646 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.890 15.863 -0.213 1.00 0.00 H new ATOM 265 N LEU A 19 -5.317 12.724 -1.295 1.00 0.00 N ATOM 266 CA LEU A 19 -5.291 11.190 -1.087 1.00 0.00 C ATOM 267 C LEU A 19 -5.526 10.684 0.398 1.00 0.00 C ATOM 268 O LEU A 19 -4.719 11.008 1.327 1.00 0.00 O ATOM 269 CB LEU A 19 -4.127 10.417 -1.953 1.00 0.00 C ATOM 270 CG LEU A 19 -4.222 10.256 -3.517 1.00 0.00 C ATOM 271 CD1 LEU A 19 -2.881 9.759 -3.998 1.00 0.00 C ATOM 272 CD2 LEU A 19 -5.308 9.254 -3.991 1.00 0.00 C ATOM 0 H LEU A 19 -6.046 12.977 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.214 10.847 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.188 10.930 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.040 9.413 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.499 11.227 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.906 9.634 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.109 10.482 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.658 8.801 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.306 9.203 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.096 8.266 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.286 9.587 -3.645 1.00 0.00 H new ATOM 284 N GLY A 20 -6.666 9.855 0.560 1.00 0.00 N ATOM 285 CA GLY A 20 -7.302 9.448 1.861 1.00 0.00 C ATOM 286 C GLY A 20 -6.890 8.097 2.471 1.00 0.00 C ATOM 287 O GLY A 20 -7.772 7.251 2.755 1.00 0.00 O ATOM 0 H GLY A 20 -7.154 9.460 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.089 10.225 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.382 9.434 1.715 1.00 0.00 H new ATOM 291 N PHE A 21 -5.484 7.912 2.656 1.00 0.00 N ATOM 292 CA PHE A 21 -4.758 6.803 3.439 1.00 0.00 C ATOM 293 C PHE A 21 -3.244 7.307 3.796 1.00 0.00 C ATOM 294 O PHE A 21 -2.837 8.434 3.350 1.00 0.00 O ATOM 295 CB PHE A 21 -4.801 5.318 2.654 1.00 0.00 C ATOM 296 CG PHE A 21 -4.001 5.092 1.282 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.443 5.640 0.059 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.847 4.305 1.264 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.757 5.418 -1.116 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.155 4.084 0.077 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.611 4.641 -1.109 1.00 0.00 C ATOM 0 H PHE A 21 -4.819 8.565 2.241 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.288 6.624 4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.441 4.571 3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.848 5.091 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.337 6.246 0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.488 3.863 2.182 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.113 5.849 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.261 3.478 0.079 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.071 4.468 -2.028 1.00 0.00 H new ATOM 311 N SER A 22 -2.445 6.491 4.675 1.00 0.00 N ATOM 312 CA SER A 22 -0.951 6.644 4.907 1.00 0.00 C ATOM 313 C SER A 22 -0.266 5.223 4.922 1.00 0.00 C ATOM 314 O SER A 22 -0.869 4.222 5.465 1.00 0.00 O ATOM 315 CB SER A 22 -0.600 7.483 6.199 1.00 0.00 C ATOM 316 OG SER A 22 -1.064 8.827 6.130 1.00 0.00 O ATOM 0 H SER A 22 -2.849 5.728 5.219 1.00 0.00 H new ATOM 0 HA SER A 22 -0.549 7.223 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.037 6.997 7.071 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.480 7.484 6.343 1.00 0.00 H new ATOM 0 HG SER A 22 -0.606 9.294 5.400 1.00 0.00 H new ATOM 322 N ILE A 23 1.026 5.134 4.318 1.00 0.00 N ATOM 323 CA ILE A 23 1.840 3.810 4.127 1.00 0.00 C ATOM 324 C ILE A 23 3.218 3.653 4.819 1.00 0.00 C ATOM 325 O ILE A 23 4.149 4.475 4.628 1.00 0.00 O ATOM 326 CB ILE A 23 1.799 3.101 2.656 1.00 0.00 C ATOM 327 CG1 ILE A 23 1.884 4.032 1.318 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.555 2.273 2.635 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.194 4.833 0.983 1.00 0.00 C ATOM 0 H ILE A 23 1.516 5.954 3.961 1.00 0.00 H new ATOM 0 HA ILE A 23 1.182 3.217 4.762 1.00 0.00 H new ATOM 0 HB ILE A 23 2.732 2.544 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.674 3.388 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.071 4.756 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.469 1.770 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.600 1.529 3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.312 2.915 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.053 5.390 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.413 5.528 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.026 4.138 0.866 1.00 0.00 H new ATOM 341 N ALA A 24 3.307 2.466 5.619 1.00 0.00 N ATOM 342 CA ALA A 24 4.485 2.063 6.460 1.00 0.00 C ATOM 343 C ALA A 24 5.310 0.907 5.757 1.00 0.00 C ATOM 344 O ALA A 24 4.782 -0.225 5.508 1.00 0.00 O ATOM 345 CB ALA A 24 4.007 1.705 7.922 1.00 0.00 C ATOM 0 H ALA A 24 2.543 1.792 5.669 1.00 0.00 H new ATOM 0 HA ALA A 24 5.175 2.901 6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.867 1.414 8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.527 2.574 8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.297 0.879 7.881 1.00 0.00 H new ATOM 351 N GLY A 25 6.613 1.266 5.439 1.00 0.00 N ATOM 352 CA GLY A 25 7.613 0.403 4.703 1.00 0.00 C ATOM 353 C GLY A 25 9.060 0.616 5.155 1.00 0.00 C ATOM 354 O GLY A 25 9.354 1.642 5.879 1.00 0.00 O ATOM 0 H GLY A 25 6.997 2.176 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.348 -0.645 4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.541 0.609 3.635 1.00 0.00 H new ATOM 358 N GLY A 26 9.978 -0.376 4.751 1.00 0.00 N ATOM 359 CA GLY A 26 11.412 -0.318 5.207 1.00 0.00 C ATOM 360 C GLY A 26 12.363 -1.436 4.829 1.00 0.00 C ATOM 361 O GLY A 26 11.995 -2.637 4.890 1.00 0.00 O ATOM 0 H GLY A 26 9.748 -1.167 4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.837 0.613 4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.406 -0.249 6.295 1.00 0.00 H new ATOM 365 N THR A 27 13.602 -0.986 4.363 1.00 0.00 N ATOM 366 CA THR A 27 14.905 -1.831 4.312 1.00 0.00 C ATOM 367 C THR A 27 15.990 -1.381 5.382 1.00 0.00 C ATOM 368 O THR A 27 16.646 -2.271 6.010 1.00 0.00 O ATOM 369 CB THR A 27 15.591 -2.062 2.875 1.00 0.00 C ATOM 370 OG1 THR A 27 15.675 -0.871 2.075 1.00 0.00 O ATOM 371 CG2 THR A 27 14.985 -3.236 2.110 1.00 0.00 C ATOM 0 H THR A 27 13.736 -0.037 4.013 1.00 0.00 H new ATOM 0 HA THR A 27 14.516 -2.813 4.581 1.00 0.00 H new ATOM 0 HB THR A 27 16.622 -2.336 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.102 -1.082 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.488 -3.343 1.149 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.111 -4.151 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.923 -3.054 1.945 1.00 0.00 H new ATOM 379 N ASP A 28 16.125 0.031 5.594 1.00 0.00 N ATOM 380 CA ASP A 28 17.106 0.696 6.579 1.00 0.00 C ATOM 381 C ASP A 28 16.401 1.242 7.908 1.00 0.00 C ATOM 382 O ASP A 28 17.000 1.120 9.021 1.00 0.00 O ATOM 383 CB ASP A 28 18.018 1.834 5.885 1.00 0.00 C ATOM 384 CG ASP A 28 19.079 1.321 4.870 1.00 0.00 C ATOM 385 OD1 ASP A 28 20.226 1.036 5.294 1.00 0.00 O ATOM 386 OD2 ASP A 28 18.755 1.227 3.662 1.00 0.00 O ATOM 0 H ASP A 28 15.558 0.710 5.086 1.00 0.00 H new ATOM 0 HA ASP A 28 17.775 -0.106 6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.362 2.537 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.531 2.391 6.669 1.00 0.00 H new ATOM 391 N ASN A 29 15.081 1.810 7.751 1.00 0.00 N ATOM 392 CA ASN A 29 14.224 2.427 8.829 1.00 0.00 C ATOM 393 C ASN A 29 13.034 1.367 9.329 1.00 0.00 C ATOM 394 O ASN A 29 12.259 0.881 8.442 1.00 0.00 O ATOM 395 CB ASN A 29 13.659 3.859 8.324 1.00 0.00 C ATOM 396 CG ASN A 29 13.136 4.848 9.427 1.00 0.00 C ATOM 397 OD1 ASN A 29 11.958 4.819 9.798 1.00 0.00 O ATOM 398 ND2 ASN A 29 14.019 5.728 9.915 1.00 0.00 N ATOM 0 H ASN A 29 14.619 1.829 6.842 1.00 0.00 H new ATOM 0 HA ASN A 29 14.826 2.622 9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.452 4.360 7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.846 3.674 7.622 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.727 6.406 10.619 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.983 5.720 9.583 1.00 0.00 H new ATOM 405 N PRO A 30 12.895 0.957 10.809 1.00 0.00 N ATOM 406 CA PRO A 30 11.751 0.041 11.354 1.00 0.00 C ATOM 407 C PRO A 30 10.244 0.653 11.366 1.00 0.00 C ATOM 408 O PRO A 30 10.054 1.910 11.413 1.00 0.00 O ATOM 409 CB PRO A 30 12.200 -0.301 12.832 1.00 0.00 C ATOM 410 CG PRO A 30 13.635 0.158 12.980 1.00 0.00 C ATOM 411 CD PRO A 30 13.871 1.262 11.970 1.00 0.00 C ATOM 0 HA PRO A 30 11.650 -0.809 10.679 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.558 0.202 13.555 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.117 -1.371 13.022 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.819 0.519 13.992 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.322 -0.671 12.808 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.674 2.242 12.404 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.905 1.267 11.625 1.00 0.00 H new ATOM 419 N HIS A 31 9.219 -0.320 11.254 1.00 0.00 N ATOM 420 CA HIS A 31 7.724 -0.125 11.431 1.00 0.00 C ATOM 421 C HIS A 31 7.150 -0.912 12.722 1.00 0.00 C ATOM 422 O HIS A 31 6.260 -0.361 13.390 1.00 0.00 O ATOM 423 CB HIS A 31 6.908 -0.364 9.998 1.00 0.00 C ATOM 424 CG HIS A 31 5.524 -1.145 9.954 1.00 0.00 C ATOM 425 ND1 HIS A 31 4.323 -0.641 10.438 1.00 0.00 N ATOM 426 CD2 HIS A 31 5.243 -2.388 9.526 1.00 0.00 C ATOM 427 CE1 HIS A 31 3.368 -1.553 10.300 1.00 0.00 C ATOM 428 NE2 HIS A 31 3.902 -2.617 9.750 1.00 0.00 N ATOM 0 H HIS A 31 9.444 -1.289 11.029 1.00 0.00 H new ATOM 0 HA HIS A 31 7.531 0.919 11.677 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.731 0.621 9.566 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.590 -0.888 9.328 1.00 0.00 H new ATOM 0 HD1 HIS A 31 4.195 0.288 10.838 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.943 -3.083 9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.334 -1.439 10.590 1.00 0.00 H new ATOM 437 N ILE A 32 7.708 -2.188 13.001 1.00 0.00 N ATOM 438 CA ILE A 32 7.176 -3.225 14.045 1.00 0.00 C ATOM 439 C ILE A 32 8.263 -3.768 15.076 1.00 0.00 C ATOM 440 O ILE A 32 8.046 -3.694 16.312 1.00 0.00 O ATOM 441 CB ILE A 32 6.197 -4.471 13.387 1.00 0.00 C ATOM 442 CG1 ILE A 32 6.678 -5.189 12.009 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.818 -3.959 13.131 1.00 0.00 C ATOM 444 CD1 ILE A 32 7.900 -6.085 12.049 1.00 0.00 C ATOM 0 H ILE A 32 8.536 -2.526 12.511 1.00 0.00 H new ATOM 0 HA ILE A 32 6.500 -2.620 14.649 1.00 0.00 H new ATOM 0 HB ILE A 32 6.267 -5.236 14.161 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.844 -5.783 11.636 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.865 -4.405 11.275 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.205 -4.758 12.713 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.378 -3.615 14.067 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.863 -3.130 12.425 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.089 -6.487 11.054 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.764 -5.508 12.378 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.726 -6.906 12.744 1.00 0.00 H new ATOM 456 N GLY A 33 9.389 -4.300 14.489 1.00 0.00 N ATOM 457 CA GLY A 33 10.598 -4.887 15.147 1.00 0.00 C ATOM 458 C GLY A 33 11.734 -5.159 14.150 1.00 0.00 C ATOM 459 O GLY A 33 12.471 -6.154 14.302 1.00 0.00 O ATOM 0 H GLY A 33 9.475 -4.329 13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.953 -4.207 15.921 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.323 -5.818 15.642 1.00 0.00 H new ATOM 463 N ASP A 34 11.843 -4.198 13.068 1.00 0.00 N ATOM 464 CA ASP A 34 12.806 -4.135 11.832 1.00 0.00 C ATOM 465 C ASP A 34 12.208 -5.023 10.644 1.00 0.00 C ATOM 466 O ASP A 34 12.622 -6.202 10.389 1.00 0.00 O ATOM 467 CB ASP A 34 14.444 -4.279 12.154 1.00 0.00 C ATOM 468 CG ASP A 34 15.431 -3.822 11.032 1.00 0.00 C ATOM 469 OD1 ASP A 34 15.812 -2.629 11.020 1.00 0.00 O ATOM 470 OD2 ASP A 34 15.812 -4.670 10.192 1.00 0.00 O ATOM 0 H ASP A 34 11.209 -3.399 13.052 1.00 0.00 H new ATOM 0 HA ASP A 34 12.822 -3.106 11.473 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.664 -3.704 13.053 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.653 -5.324 12.384 1.00 0.00 H new ATOM 475 N ASP A 35 11.103 -4.401 10.031 1.00 0.00 N ATOM 476 CA ASP A 35 10.178 -4.943 8.915 1.00 0.00 C ATOM 477 C ASP A 35 10.896 -5.370 7.450 1.00 0.00 C ATOM 478 O ASP A 35 11.782 -4.594 7.003 1.00 0.00 O ATOM 479 CB ASP A 35 8.916 -3.927 8.757 1.00 0.00 C ATOM 480 CG ASP A 35 9.126 -2.573 7.951 1.00 0.00 C ATOM 481 OD1 ASP A 35 9.782 -1.646 8.478 1.00 0.00 O ATOM 482 OD2 ASP A 35 8.621 -2.486 6.812 1.00 0.00 O ATOM 0 H ASP A 35 10.820 -3.463 10.315 1.00 0.00 H new ATOM 0 HA ASP A 35 9.840 -5.924 9.248 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.107 -4.476 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.573 -3.666 9.758 1.00 0.00 H new ATOM 487 N PRO A 36 10.558 -6.686 6.733 1.00 0.00 N ATOM 488 CA PRO A 36 10.996 -6.993 5.273 1.00 0.00 C ATOM 489 C PRO A 36 10.046 -6.371 4.065 1.00 0.00 C ATOM 490 O PRO A 36 10.597 -5.772 3.107 1.00 0.00 O ATOM 491 CB PRO A 36 11.086 -8.581 5.235 1.00 0.00 C ATOM 492 CG PRO A 36 10.745 -9.080 6.637 1.00 0.00 C ATOM 493 CD PRO A 36 9.946 -7.982 7.325 1.00 0.00 C ATOM 0 HA PRO A 36 11.938 -6.491 5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.392 -8.989 4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.085 -8.904 4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.167 -10.002 6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.653 -9.303 7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.881 -8.061 7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.055 -8.022 8.409 1.00 0.00 H new ATOM 501 N SER A 37 8.618 -6.547 4.202 1.00 0.00 N ATOM 502 CA SER A 37 7.510 -6.091 3.223 1.00 0.00 C ATOM 503 C SER A 37 6.753 -4.725 3.672 1.00 0.00 C ATOM 504 O SER A 37 6.841 -4.327 4.875 1.00 0.00 O ATOM 505 CB SER A 37 6.495 -7.309 2.933 1.00 0.00 C ATOM 506 OG SER A 37 5.872 -7.841 4.120 1.00 0.00 O ATOM 0 H SER A 37 8.226 -7.019 5.016 1.00 0.00 H new ATOM 0 HA SER A 37 7.998 -5.821 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.719 -6.968 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.037 -8.109 2.428 1.00 0.00 H new ATOM 0 HG SER A 37 5.269 -8.573 3.873 1.00 0.00 H new ATOM 512 N ILE A 38 5.988 -4.028 2.650 1.00 0.00 N ATOM 513 CA ILE A 38 5.191 -2.705 2.852 1.00 0.00 C ATOM 514 C ILE A 38 3.643 -3.057 3.244 1.00 0.00 C ATOM 515 O ILE A 38 2.960 -3.837 2.526 1.00 0.00 O ATOM 516 CB ILE A 38 5.329 -1.587 1.523 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.783 -1.494 0.659 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.838 -0.109 1.845 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.203 -1.634 1.380 1.00 0.00 C ATOM 0 H ILE A 38 5.923 -4.379 1.694 1.00 0.00 H new ATOM 0 HA ILE A 38 5.644 -2.166 3.684 1.00 0.00 H new ATOM 0 HB ILE A 38 4.635 -2.092 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.743 -2.266 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.784 -0.532 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.961 0.516 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.787 -0.129 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.429 0.301 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.998 -1.544 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.311 -0.847 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.270 -2.607 1.867 1.00 0.00 H new ATOM 531 N PHE A 39 3.169 -2.422 4.420 1.00 0.00 N ATOM 532 CA PHE A 39 1.815 -2.648 5.128 1.00 0.00 C ATOM 533 C PHE A 39 1.014 -1.275 5.340 1.00 0.00 C ATOM 534 O PHE A 39 1.650 -0.139 5.415 1.00 0.00 O ATOM 535 CB PHE A 39 2.009 -3.360 6.609 1.00 0.00 C ATOM 536 CG PHE A 39 2.641 -4.807 6.756 1.00 0.00 C ATOM 537 CD1 PHE A 39 1.869 -5.977 6.617 1.00 0.00 C ATOM 538 CD2 PHE A 39 3.988 -4.964 7.116 1.00 0.00 C ATOM 539 CE1 PHE A 39 2.433 -7.235 6.811 1.00 0.00 C ATOM 540 CE2 PHE A 39 4.543 -6.218 7.324 1.00 0.00 C ATOM 541 CZ PHE A 39 3.768 -7.351 7.166 1.00 0.00 C ATOM 0 H PHE A 39 3.736 -1.726 4.905 1.00 0.00 H new ATOM 0 HA PHE A 39 1.246 -3.307 4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.621 -2.685 7.207 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.024 -3.396 7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.824 -5.897 6.356 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.608 -4.087 7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.830 -8.122 6.685 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.581 -6.309 7.609 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.203 -8.328 7.319 1.00 0.00 H new ATOM 551 N ILE A 40 -0.431 -1.399 5.430 1.00 0.00 N ATOM 552 CA ILE A 40 -1.410 -0.280 5.812 1.00 0.00 C ATOM 553 C ILE A 40 -1.627 -0.293 7.405 1.00 0.00 C ATOM 554 O ILE A 40 -1.726 -1.386 8.055 1.00 0.00 O ATOM 555 CB ILE A 40 -2.916 -0.350 5.026 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.982 -1.082 3.541 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.692 1.052 4.999 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.140 -0.503 2.375 1.00 0.00 C ATOM 0 H ILE A 40 -0.906 -2.280 5.235 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.952 0.651 5.477 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.443 -1.041 5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.686 -2.122 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.025 -1.086 3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.644 0.931 4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.874 1.387 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.087 1.793 4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.301 -1.101 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.443 0.526 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.084 -0.527 2.642 1.00 0.00 H new ATOM 570 N THR A 41 -1.725 0.976 7.946 1.00 0.00 N ATOM 571 CA THR A 41 -1.864 1.353 9.449 1.00 0.00 C ATOM 572 C THR A 41 -2.767 2.617 9.711 1.00 0.00 C ATOM 573 O THR A 41 -3.399 2.688 10.822 1.00 0.00 O ATOM 574 CB THR A 41 -0.478 1.408 10.331 1.00 0.00 C ATOM 575 OG1 THR A 41 0.612 1.952 9.597 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.077 0.045 10.913 1.00 0.00 C ATOM 0 H THR A 41 -1.711 1.803 7.350 1.00 0.00 H new ATOM 0 HA THR A 41 -2.392 0.481 9.836 1.00 0.00 H new ATOM 0 HB THR A 41 -0.706 2.074 11.163 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.412 1.966 10.162 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.846 0.150 11.484 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.869 -0.318 11.568 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.078 -0.666 10.101 1.00 0.00 H new ATOM 584 N LYS A 42 -2.879 3.624 8.647 1.00 0.00 N ATOM 585 CA LYS A 42 -3.737 4.869 8.762 1.00 0.00 C ATOM 586 C LYS A 42 -4.727 4.988 7.522 1.00 0.00 C ATOM 587 O LYS A 42 -4.305 4.861 6.326 1.00 0.00 O ATOM 588 CB LYS A 42 -2.794 6.177 8.999 1.00 0.00 C ATOM 589 CG LYS A 42 -3.374 7.440 9.755 1.00 0.00 C ATOM 590 CD LYS A 42 -3.924 8.551 8.830 1.00 0.00 C ATOM 591 CE LYS A 42 -4.422 9.723 9.656 1.00 0.00 C ATOM 592 NZ LYS A 42 -4.786 10.898 8.829 1.00 0.00 N ATOM 0 H LYS A 42 -2.385 3.550 7.758 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.382 4.799 9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.912 5.847 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.453 6.513 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.172 7.113 10.421 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.589 7.863 10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.143 8.884 8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.736 8.157 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.291 9.410 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.650 10.012 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.327 11.749 9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.468 10.746 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.818 11.025 8.842 1.00 0.00 H new ATOM 606 N ILE A 43 -6.072 5.172 7.891 1.00 0.00 N ATOM 607 CA ILE A 43 -7.248 5.419 6.968 1.00 0.00 C ATOM 608 C ILE A 43 -7.979 6.776 7.423 1.00 0.00 C ATOM 609 O ILE A 43 -8.310 6.947 8.644 1.00 0.00 O ATOM 610 CB ILE A 43 -8.303 4.025 6.835 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.609 2.665 6.176 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.790 4.243 6.243 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.947 2.733 4.721 1.00 0.00 C ATOM 0 H ILE A 43 -6.358 5.149 8.870 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.897 5.561 5.946 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.456 3.851 7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.838 2.326 6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.375 1.890 6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.317 3.289 6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.334 4.946 6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.724 4.641 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.546 1.754 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.702 3.024 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.141 3.467 4.722 1.00 0.00 H new ATOM 625 N ILE A 44 -8.218 7.711 6.382 1.00 0.00 N ATOM 626 CA ILE A 44 -9.034 9.012 6.514 1.00 0.00 C ATOM 627 C ILE A 44 -10.678 8.702 6.354 1.00 0.00 C ATOM 628 O ILE A 44 -11.053 8.023 5.361 1.00 0.00 O ATOM 629 CB ILE A 44 -8.427 10.297 5.518 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.969 10.814 5.893 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.301 11.589 5.430 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.790 9.996 5.424 1.00 0.00 C ATOM 0 H ILE A 44 -7.849 7.575 5.441 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.901 9.398 7.525 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.436 9.775 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.858 11.822 5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.911 10.894 6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.813 12.314 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.281 11.338 5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.419 12.017 6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.865 10.469 5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.853 8.992 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.799 9.935 4.336 1.00 0.00 H new ATOM 644 N PRO A 45 -11.679 9.248 7.386 1.00 0.00 N ATOM 645 CA PRO A 45 -13.230 9.028 7.318 1.00 0.00 C ATOM 646 C PRO A 45 -14.033 9.690 6.052 1.00 0.00 C ATOM 647 O PRO A 45 -15.144 9.177 5.689 1.00 0.00 O ATOM 648 CB PRO A 45 -13.738 9.595 8.704 1.00 0.00 C ATOM 649 CG PRO A 45 -12.519 9.672 9.591 1.00 0.00 C ATOM 650 CD PRO A 45 -11.373 10.041 8.682 1.00 0.00 C ATOM 0 HA PRO A 45 -13.438 7.972 7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.194 10.577 8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.497 8.944 9.138 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.652 10.418 10.375 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.334 8.719 10.086 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.335 11.115 8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.412 9.757 9.110 1.00 0.00 H new ATOM 658 N GLY A 46 -13.398 10.796 5.408 1.00 0.00 N ATOM 659 CA GLY A 46 -13.937 11.519 4.203 1.00 0.00 C ATOM 660 C GLY A 46 -12.916 11.737 3.042 1.00 0.00 C ATOM 661 O GLY A 46 -12.863 12.873 2.497 1.00 0.00 O ATOM 0 H GLY A 46 -12.510 11.178 5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.788 10.960 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.313 12.491 4.521 1.00 0.00 H new ATOM 665 N GLY A 47 -12.092 10.616 2.685 1.00 0.00 N ATOM 666 CA GLY A 47 -11.123 10.569 1.512 1.00 0.00 C ATOM 667 C GLY A 47 -11.650 9.822 0.233 1.00 0.00 C ATOM 668 O GLY A 47 -12.824 9.343 0.198 1.00 0.00 O ATOM 0 H GLY A 47 -12.105 9.746 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.865 11.591 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.203 10.086 1.841 1.00 0.00 H new ATOM 672 N ALA A 48 -10.716 9.742 -0.830 1.00 0.00 N ATOM 673 CA ALA A 48 -10.926 9.120 -2.223 1.00 0.00 C ATOM 674 C ALA A 48 -10.785 7.520 -2.302 1.00 0.00 C ATOM 675 O ALA A 48 -11.537 6.890 -3.072 1.00 0.00 O ATOM 676 CB ALA A 48 -10.026 9.844 -3.276 1.00 0.00 C ATOM 0 H ALA A 48 -9.775 10.121 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.976 9.288 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.182 9.396 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.288 10.901 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.979 9.740 -2.992 1.00 0.00 H new ATOM 682 N ALA A 49 -9.801 6.887 -1.454 1.00 0.00 N ATOM 683 CA ALA A 49 -9.512 5.366 -1.344 1.00 0.00 C ATOM 684 C ALA A 49 -10.508 4.517 -0.400 1.00 0.00 C ATOM 685 O ALA A 49 -10.713 3.271 -0.646 1.00 0.00 O ATOM 686 CB ALA A 49 -8.044 5.143 -0.972 1.00 0.00 C ATOM 0 H ALA A 49 -9.200 7.435 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.716 4.962 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.846 4.074 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.404 5.577 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.835 5.620 -0.014 1.00 0.00 H new ATOM 692 N ALA A 50 -11.155 5.248 0.664 1.00 0.00 N ATOM 693 CA ALA A 50 -12.173 4.709 1.672 1.00 0.00 C ATOM 694 C ALA A 50 -13.688 4.700 1.114 1.00 0.00 C ATOM 695 O ALA A 50 -14.415 3.687 1.326 1.00 0.00 O ATOM 696 CB ALA A 50 -12.049 5.494 3.029 1.00 0.00 C ATOM 0 H ALA A 50 -10.958 6.237 0.818 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.932 3.661 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.776 5.105 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.044 5.369 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.241 6.553 2.856 1.00 0.00 H new ATOM 702 N GLN A 51 -14.117 5.867 0.371 1.00 0.00 N ATOM 703 CA GLN A 51 -15.488 6.102 -0.285 1.00 0.00 C ATOM 704 C GLN A 51 -15.603 5.621 -1.819 1.00 0.00 C ATOM 705 O GLN A 51 -16.487 4.771 -2.114 1.00 0.00 O ATOM 706 CB GLN A 51 -15.994 7.623 -0.124 1.00 0.00 C ATOM 707 CG GLN A 51 -16.176 8.160 1.349 1.00 0.00 C ATOM 708 CD GLN A 51 -16.932 9.533 1.539 1.00 0.00 C ATOM 709 OE1 GLN A 51 -16.892 10.474 0.699 1.00 0.00 O ATOM 710 NE2 GLN A 51 -17.631 9.641 2.663 1.00 0.00 N ATOM 0 H GLN A 51 -13.490 6.659 0.229 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.157 5.450 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.285 8.273 -0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.948 7.720 -0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.711 7.401 1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.187 8.257 1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.650 8.868 3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.149 10.497 2.861 1.00 0.00 H new ATOM 719 N ASP A 52 -14.658 6.177 -2.783 1.00 0.00 N ATOM 720 CA ASP A 52 -14.686 5.977 -4.307 1.00 0.00 C ATOM 721 C ASP A 52 -13.862 4.736 -4.915 1.00 0.00 C ATOM 722 O ASP A 52 -14.352 4.120 -5.917 1.00 0.00 O ATOM 723 CB ASP A 52 -14.317 7.339 -5.047 1.00 0.00 C ATOM 724 CG ASP A 52 -15.457 8.390 -5.137 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.576 9.228 -4.209 1.00 0.00 O ATOM 726 OD2 ASP A 52 -16.207 8.376 -6.146 1.00 0.00 O ATOM 0 H ASP A 52 -13.879 6.765 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.717 5.688 -4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.470 7.793 -4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.986 7.103 -6.058 1.00 0.00 H new ATOM 731 N GLY A 53 -12.637 4.347 -4.259 1.00 0.00 N ATOM 732 CA GLY A 53 -11.655 3.276 -4.772 1.00 0.00 C ATOM 733 C GLY A 53 -11.945 1.790 -4.387 1.00 0.00 C ATOM 734 O GLY A 53 -11.955 0.919 -5.283 1.00 0.00 O ATOM 0 H GLY A 53 -12.333 4.772 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.623 3.342 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.660 3.530 -4.408 1.00 0.00 H new ATOM 738 N ARG A 54 -12.198 1.530 -3.001 1.00 0.00 N ATOM 739 CA ARG A 54 -12.483 0.182 -2.252 1.00 0.00 C ATOM 740 C ARG A 54 -11.212 -0.595 -1.685 1.00 0.00 C ATOM 741 O ARG A 54 -10.889 -1.781 -2.068 1.00 0.00 O ATOM 742 CB ARG A 54 -13.699 -0.772 -2.811 1.00 0.00 C ATOM 743 CG ARG A 54 -15.213 -0.306 -2.583 1.00 0.00 C ATOM 744 CD ARG A 54 -15.800 0.773 -3.591 1.00 0.00 C ATOM 745 NE ARG A 54 -16.060 0.240 -5.013 1.00 0.00 N ATOM 746 CZ ARG A 54 -16.744 0.842 -6.096 1.00 0.00 C ATOM 747 NH1 ARG A 54 -17.336 2.080 -6.044 1.00 0.00 N ATOM 748 NH2 ARG A 54 -16.825 0.166 -7.236 1.00 0.00 N ATOM 0 H ARG A 54 -12.208 2.307 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.948 0.587 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.551 -0.900 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.584 -1.755 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.849 -1.190 -2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.294 0.096 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.734 1.161 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.106 1.611 -3.652 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.682 -0.688 -5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.299 2.627 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.813 2.452 -6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.401 -0.759 -7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.311 0.571 -8.036 1.00 0.00 H new ATOM 762 N LEU A 55 -10.400 0.218 -0.853 1.00 0.00 N ATOM 763 CA LEU A 55 -9.249 -0.204 -0.003 1.00 0.00 C ATOM 764 C LEU A 55 -9.606 -0.084 1.558 1.00 0.00 C ATOM 765 O LEU A 55 -10.152 0.967 2.041 1.00 0.00 O ATOM 766 CB LEU A 55 -7.924 0.642 -0.461 1.00 0.00 C ATOM 767 CG LEU A 55 -6.559 0.572 0.332 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.469 -0.161 -0.431 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.152 1.974 0.658 1.00 0.00 C ATOM 0 H LEU A 55 -10.569 1.221 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.026 -1.261 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.705 0.347 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.217 1.692 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.705 -0.007 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.556 -0.177 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.789 -1.184 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.279 0.350 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.211 1.961 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.026 2.540 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.922 2.444 1.270 1.00 0.00 H new ATOM 781 N ARG A 56 -9.285 -1.231 2.276 1.00 0.00 N ATOM 782 CA ARG A 56 -9.300 -1.414 3.790 1.00 0.00 C ATOM 783 C ARG A 56 -7.810 -1.580 4.344 1.00 0.00 C ATOM 784 O ARG A 56 -6.886 -2.060 3.607 1.00 0.00 O ATOM 785 CB ARG A 56 -10.241 -2.643 4.262 1.00 0.00 C ATOM 786 CG ARG A 56 -11.748 -2.462 4.160 1.00 0.00 C ATOM 787 CD ARG A 56 -12.374 -3.706 4.704 1.00 0.00 C ATOM 788 NE ARG A 56 -13.893 -3.651 4.759 1.00 0.00 N ATOM 789 CZ ARG A 56 -14.821 -4.618 5.241 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.465 -5.829 5.784 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.115 -4.332 5.166 1.00 0.00 N ATOM 0 H ARG A 56 -8.998 -2.085 1.798 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.737 -0.513 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.968 -3.519 3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.000 -2.869 5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.071 -1.588 4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.048 -2.300 3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.072 -4.553 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.989 -3.887 5.708 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.309 -2.793 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.480 -6.083 5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.185 -6.474 6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.418 -3.441 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.806 -5.003 5.502 1.00 0.00 H new ATOM 805 N VAL A 57 -7.599 -1.195 5.688 1.00 0.00 N ATOM 806 CA VAL A 57 -6.287 -1.251 6.526 1.00 0.00 C ATOM 807 C VAL A 57 -5.567 -2.737 6.638 1.00 0.00 C ATOM 808 O VAL A 57 -4.322 -2.847 6.820 1.00 0.00 O ATOM 809 CB VAL A 57 -6.564 -0.507 7.951 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.392 -1.165 9.064 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.496 0.398 8.423 1.00 0.00 C ATOM 0 H VAL A 57 -8.370 -0.821 6.242 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.513 -0.707 5.985 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.371 0.114 7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.448 -0.494 9.921 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.398 -1.370 8.697 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.919 -2.100 9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.786 0.837 9.378 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.571 -0.165 8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.341 1.191 7.691 1.00 0.00 H new ATOM 821 N ASN A 58 -6.475 -3.787 6.529 1.00 0.00 N ATOM 822 CA ASN A 58 -6.218 -5.241 6.540 1.00 0.00 C ATOM 823 C ASN A 58 -5.993 -5.861 5.002 1.00 0.00 C ATOM 824 O ASN A 58 -5.868 -7.122 4.855 1.00 0.00 O ATOM 825 CB ASN A 58 -7.430 -5.885 7.395 1.00 0.00 C ATOM 826 CG ASN A 58 -7.192 -7.305 8.014 1.00 0.00 C ATOM 827 OD1 ASN A 58 -6.685 -7.429 9.134 1.00 0.00 O ATOM 828 ND2 ASN A 58 -7.594 -8.356 7.292 1.00 0.00 N ATOM 0 H ASN A 58 -7.471 -3.594 6.425 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.272 -5.500 7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.673 -5.199 8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.307 -5.940 6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.486 -9.300 7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.008 -8.214 6.371 1.00 0.00 H new ATOM 835 N ASP A 59 -5.864 -4.906 3.870 1.00 0.00 N ATOM 836 CA ASP A 59 -5.656 -5.347 2.384 1.00 0.00 C ATOM 837 C ASP A 59 -4.147 -5.579 1.920 1.00 0.00 C ATOM 838 O ASP A 59 -3.891 -6.456 1.020 1.00 0.00 O ATOM 839 CB ASP A 59 -6.469 -4.464 1.342 1.00 0.00 C ATOM 840 CG ASP A 59 -7.920 -4.937 1.081 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.123 -5.758 0.150 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.838 -4.479 1.785 1.00 0.00 O ATOM 0 H ASP A 59 -5.903 -3.894 3.991 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.091 -6.346 2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.497 -3.436 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.929 -4.456 0.395 1.00 0.00 H new ATOM 847 N SER A 60 -3.113 -4.755 2.567 1.00 0.00 N ATOM 848 CA SER A 60 -1.531 -4.795 2.395 1.00 0.00 C ATOM 849 C SER A 60 -0.983 -4.908 0.879 1.00 0.00 C ATOM 850 O SER A 60 -1.295 -5.903 0.159 1.00 0.00 O ATOM 851 CB SER A 60 -0.864 -5.869 3.402 1.00 0.00 C ATOM 852 OG SER A 60 0.572 -5.810 3.446 1.00 0.00 O ATOM 0 H SER A 60 -3.384 -4.033 3.235 1.00 0.00 H new ATOM 0 HA SER A 60 -1.192 -3.801 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.256 -5.704 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.168 -6.872 3.102 1.00 0.00 H new ATOM 0 HG SER A 60 0.873 -5.861 4.377 1.00 0.00 H new ATOM 858 N ILE A 61 -0.110 -3.887 0.461 1.00 0.00 N ATOM 859 CA ILE A 61 0.482 -3.748 -0.974 1.00 0.00 C ATOM 860 C ILE A 61 1.822 -4.662 -1.131 1.00 0.00 C ATOM 861 O ILE A 61 2.742 -4.608 -0.263 1.00 0.00 O ATOM 862 CB ILE A 61 0.747 -2.118 -1.466 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.571 -1.171 -1.207 1.00 0.00 C ATOM 864 CG2 ILE A 61 1.151 -2.033 -3.039 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.368 0.395 -1.076 1.00 0.00 C ATOM 0 H ILE A 61 0.202 -3.148 1.090 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.277 -4.125 -1.660 1.00 0.00 H new ATOM 0 HB ILE A 61 1.571 -1.748 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.270 -1.347 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.054 -1.519 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.311 -0.992 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.066 -2.600 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.347 -2.451 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.333 0.874 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.294 0.607 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.075 0.783 -1.994 1.00 0.00 H new ATOM 877 N LEU A 62 1.836 -5.496 -2.292 1.00 0.00 N ATOM 878 CA LEU A 62 3.057 -6.243 -2.809 1.00 0.00 C ATOM 879 C LEU A 62 3.799 -5.449 -3.938 1.00 0.00 C ATOM 880 O LEU A 62 5.058 -5.340 -3.890 1.00 0.00 O ATOM 881 CB LEU A 62 2.772 -7.818 -3.206 1.00 0.00 C ATOM 882 CG LEU A 62 1.707 -8.254 -4.314 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.041 -9.621 -4.799 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.291 -8.296 -3.786 1.00 0.00 C ATOM 0 H LEU A 62 1.006 -5.648 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 62 3.741 -6.301 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.729 -8.238 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.484 -8.323 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 62 1.757 -7.509 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.318 -9.925 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.041 -9.619 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.009 -10.321 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.386 -8.599 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.229 -9.013 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.008 -7.307 -3.425 1.00 0.00 H new ATOM 896 N PHE A 63 2.953 -4.886 -4.973 1.00 0.00 N ATOM 897 CA PHE A 63 3.473 -4.143 -6.213 1.00 0.00 C ATOM 898 C PHE A 63 2.730 -2.817 -6.486 1.00 0.00 C ATOM 899 O PHE A 63 1.490 -2.756 -6.356 1.00 0.00 O ATOM 900 CB PHE A 63 3.463 -5.120 -7.542 1.00 0.00 C ATOM 901 CG PHE A 63 4.541 -6.277 -7.566 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.350 -7.472 -6.855 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.715 -6.127 -8.269 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.282 -8.470 -6.852 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.663 -7.108 -8.289 1.00 0.00 C ATOM 906 CZ PHE A 63 6.457 -8.301 -7.582 1.00 0.00 C ATOM 0 H PHE A 63 1.935 -4.949 -4.943 1.00 0.00 H new ATOM 0 HA PHE A 63 4.506 -3.871 -5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.474 -5.571 -7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.608 -4.498 -8.425 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.438 -7.606 -6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.889 -5.213 -8.817 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.111 -9.377 -6.292 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.574 -6.965 -8.851 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.202 -9.082 -7.603 1.00 0.00 H new ATOM 916 N VAL A 64 3.534 -1.712 -6.824 1.00 0.00 N ATOM 917 CA VAL A 64 2.991 -0.347 -7.267 1.00 0.00 C ATOM 918 C VAL A 64 3.443 0.046 -8.666 1.00 0.00 C ATOM 919 O VAL A 64 4.524 -0.255 -9.028 1.00 0.00 O ATOM 920 CB VAL A 64 2.926 0.911 -6.220 1.00 0.00 C ATOM 921 CG1 VAL A 64 1.674 0.906 -5.399 1.00 0.00 C ATOM 922 CG2 VAL A 64 4.154 1.191 -5.313 1.00 0.00 C ATOM 0 H VAL A 64 4.553 -1.747 -6.796 1.00 0.00 H new ATOM 0 HA VAL A 64 1.927 -0.585 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 64 2.934 1.748 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.680 1.760 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.807 0.971 -6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.622 -0.016 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.950 2.055 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.350 0.321 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.026 1.394 -5.934 1.00 0.00 H new ATOM 932 N ASN A 65 2.493 0.725 -9.491 1.00 0.00 N ATOM 933 CA ASN A 65 2.638 1.185 -10.985 1.00 0.00 C ATOM 934 C ASN A 65 2.560 -0.095 -12.005 1.00 0.00 C ATOM 935 O ASN A 65 1.508 -0.387 -12.588 1.00 0.00 O ATOM 936 CB ASN A 65 3.952 2.235 -11.275 1.00 0.00 C ATOM 937 CG ASN A 65 3.815 3.708 -10.808 1.00 0.00 C ATOM 938 OD1 ASN A 65 2.721 4.307 -10.765 1.00 0.00 O ATOM 939 ND2 ASN A 65 4.954 4.302 -10.477 1.00 0.00 N ATOM 0 H ASN A 65 1.576 0.974 -9.120 1.00 0.00 H new ATOM 0 HA ASN A 65 1.775 1.814 -11.203 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.833 1.811 -10.793 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.147 2.240 -12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.952 5.277 -10.176 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.831 3.784 -10.523 1.00 0.00 H new ATOM 946 N GLU A 66 3.765 -0.801 -12.129 1.00 0.00 N ATOM 947 CA GLU A 66 4.154 -2.144 -12.782 1.00 0.00 C ATOM 948 C GLU A 66 5.519 -2.666 -12.042 1.00 0.00 C ATOM 949 O GLU A 66 6.108 -3.740 -12.417 1.00 0.00 O ATOM 950 CB GLU A 66 4.400 -2.031 -14.423 1.00 0.00 C ATOM 951 CG GLU A 66 3.146 -1.810 -15.392 1.00 0.00 C ATOM 952 CD GLU A 66 2.191 -3.034 -15.602 1.00 0.00 C ATOM 953 OE1 GLU A 66 2.429 -3.830 -16.547 1.00 0.00 O ATOM 954 OE2 GLU A 66 1.207 -3.168 -14.831 1.00 0.00 O ATOM 0 H GLU A 66 4.601 -0.386 -11.718 1.00 0.00 H new ATOM 0 HA GLU A 66 3.329 -2.845 -12.656 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.094 -1.208 -14.594 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.903 -2.944 -14.742 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.556 -0.982 -15.000 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.521 -1.500 -16.368 1.00 0.00 H new ATOM 961 N VAL A 67 5.915 -1.909 -10.865 1.00 0.00 N ATOM 962 CA VAL A 67 7.221 -1.942 -10.134 1.00 0.00 C ATOM 963 C VAL A 67 7.213 -2.708 -8.767 1.00 0.00 C ATOM 964 O VAL A 67 6.170 -2.719 -7.999 1.00 0.00 O ATOM 965 CB VAL A 67 8.047 -0.478 -10.060 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.489 0.013 -11.402 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.417 0.692 -9.204 1.00 0.00 C ATOM 0 H VAL A 67 5.266 -1.252 -10.431 1.00 0.00 H new ATOM 0 HA VAL A 67 7.820 -2.567 -10.797 1.00 0.00 H new ATOM 0 HB VAL A 67 8.919 -0.769 -9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.016 0.961 -11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.156 -0.720 -11.856 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.618 0.157 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.064 1.568 -9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.433 0.944 -9.600 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.319 0.372 -8.167 1.00 0.00 H new ATOM 977 N ASP A 68 8.501 -3.199 -8.446 1.00 0.00 N ATOM 978 CA ASP A 68 8.890 -4.039 -7.312 1.00 0.00 C ATOM 979 C ASP A 68 9.288 -3.157 -6.044 1.00 0.00 C ATOM 980 O ASP A 68 10.318 -2.396 -6.042 1.00 0.00 O ATOM 981 CB ASP A 68 9.989 -5.125 -7.783 1.00 0.00 C ATOM 982 CG ASP A 68 10.356 -6.308 -6.823 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.215 -6.110 -5.930 1.00 0.00 O ATOM 984 OD2 ASP A 68 9.799 -7.409 -6.995 1.00 0.00 O ATOM 0 H ASP A 68 9.303 -2.978 -9.036 1.00 0.00 H new ATOM 0 HA ASP A 68 8.038 -4.622 -6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.640 -5.559 -8.720 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.909 -4.585 -8.005 1.00 0.00 H new ATOM 989 N VAL A 69 8.364 -3.276 -5.041 1.00 0.00 N ATOM 990 CA VAL A 69 8.448 -2.630 -3.638 1.00 0.00 C ATOM 991 C VAL A 69 8.870 -3.601 -2.434 1.00 0.00 C ATOM 992 O VAL A 69 9.327 -3.110 -1.378 1.00 0.00 O ATOM 993 CB VAL A 69 7.283 -1.524 -3.233 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.339 -0.249 -4.021 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.812 -2.031 -3.038 1.00 0.00 C ATOM 0 H VAL A 69 7.515 -3.828 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 69 9.324 -2.000 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 69 7.595 -1.301 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.542 0.418 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.304 0.234 -3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.212 -0.470 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.169 -1.191 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.458 -2.484 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.785 -2.771 -2.238 1.00 0.00 H new ATOM 1005 N ARG A 70 8.783 -5.003 -2.678 1.00 0.00 N ATOM 1006 CA ARG A 70 9.112 -6.172 -1.658 1.00 0.00 C ATOM 1007 C ARG A 70 10.560 -6.144 -0.858 1.00 0.00 C ATOM 1008 O ARG A 70 10.705 -6.791 0.225 1.00 0.00 O ATOM 1009 CB ARG A 70 8.699 -7.630 -2.217 1.00 0.00 C ATOM 1010 CG ARG A 70 9.323 -8.183 -3.553 1.00 0.00 C ATOM 1011 CD ARG A 70 8.803 -9.586 -3.869 1.00 0.00 C ATOM 1012 NE ARG A 70 9.405 -10.157 -5.145 1.00 0.00 N ATOM 1013 CZ ARG A 70 9.230 -11.439 -5.739 1.00 0.00 C ATOM 1014 NH1 ARG A 70 8.435 -12.431 -5.218 1.00 0.00 N ATOM 1015 NH2 ARG A 70 9.874 -11.696 -6.870 1.00 0.00 N ATOM 0 H ARG A 70 8.484 -5.363 -3.584 1.00 0.00 H new ATOM 0 HA ARG A 70 8.441 -5.930 -0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.928 -8.351 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.616 -7.630 -2.344 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.082 -7.510 -4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.409 -8.206 -3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.030 -10.250 -3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.718 -9.555 -3.965 1.00 0.00 H new ATOM 0 HE ARG A 70 10.027 -9.526 -5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.923 -12.271 -4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.357 -13.327 -5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.473 -10.985 -7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.770 -12.605 -7.321 1.00 0.00 H new ATOM 1029 N GLU A 71 11.577 -5.320 -1.447 1.00 0.00 N ATOM 1030 CA GLU A 71 12.981 -5.026 -0.917 1.00 0.00 C ATOM 1031 C GLU A 71 13.367 -3.511 -1.365 1.00 0.00 C ATOM 1032 O GLU A 71 14.124 -3.266 -2.373 1.00 0.00 O ATOM 1033 CB GLU A 71 14.073 -6.187 -1.348 1.00 0.00 C ATOM 1034 CG GLU A 71 15.430 -6.276 -0.533 1.00 0.00 C ATOM 1035 CD GLU A 71 16.391 -7.392 -1.005 1.00 0.00 C ATOM 1036 OE1 GLU A 71 17.246 -7.119 -1.891 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.307 -8.529 -0.467 1.00 0.00 O ATOM 0 H GLU A 71 11.408 -4.840 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 71 13.005 -5.071 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.577 -7.155 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.324 -6.035 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 71 15.944 -5.318 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.197 -6.436 0.520 1.00 0.00 H new ATOM 1044 N VAL A 72 12.685 -2.511 -0.631 1.00 0.00 N ATOM 1045 CA VAL A 72 12.845 -0.972 -0.762 1.00 0.00 C ATOM 1046 C VAL A 72 12.757 -0.260 0.688 1.00 0.00 C ATOM 1047 O VAL A 72 12.204 -0.852 1.641 1.00 0.00 O ATOM 1048 CB VAL A 72 11.801 -0.191 -1.916 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.830 -0.738 -3.343 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.316 0.172 -1.481 1.00 0.00 C ATOM 0 H VAL A 72 11.997 -2.759 0.080 1.00 0.00 H new ATOM 0 HA VAL A 72 13.842 -0.837 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 72 12.324 0.766 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.138 -0.169 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.839 -0.648 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.534 -1.787 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.800 0.652 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.786 -0.739 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.342 0.852 -0.629 1.00 0.00 H new ATOM 1060 N THR A 73 13.254 1.064 0.751 1.00 0.00 N ATOM 1061 CA THR A 73 13.044 2.093 1.919 1.00 0.00 C ATOM 1062 C THR A 73 11.580 2.784 1.848 1.00 0.00 C ATOM 1063 O THR A 73 10.905 2.692 0.783 1.00 0.00 O ATOM 1064 CB THR A 73 14.195 3.245 1.975 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.584 3.751 0.681 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.416 2.843 2.784 1.00 0.00 C ATOM 0 H THR A 73 13.814 1.456 -0.006 1.00 0.00 H new ATOM 0 HA THR A 73 13.121 1.510 2.837 1.00 0.00 H new ATOM 0 HB THR A 73 13.709 4.066 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.274 4.438 0.792 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.141 3.657 2.778 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.118 2.630 3.811 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.867 1.953 2.345 1.00 0.00 H new ATOM 1074 N HIS A 74 11.092 3.471 3.019 1.00 0.00 N ATOM 1075 CA HIS A 74 9.714 4.271 3.127 1.00 0.00 C ATOM 1076 C HIS A 74 9.515 5.417 2.005 1.00 0.00 C ATOM 1077 O HIS A 74 8.535 5.353 1.169 1.00 0.00 O ATOM 1078 CB HIS A 74 9.381 4.770 4.648 1.00 0.00 C ATOM 1079 CG HIS A 74 10.296 5.846 5.398 1.00 0.00 C ATOM 1080 ND1 HIS A 74 9.783 7.032 5.918 1.00 0.00 N ATOM 1081 CD2 HIS A 74 11.620 5.843 5.762 1.00 0.00 C ATOM 1082 CE1 HIS A 74 10.745 7.700 6.564 1.00 0.00 C ATOM 1083 NE2 HIS A 74 11.859 6.998 6.479 1.00 0.00 N ATOM 0 H HIS A 74 11.621 3.489 3.891 1.00 0.00 H new ATOM 0 HA HIS A 74 8.946 3.536 2.886 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.368 5.172 4.634 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.362 3.879 5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.344 5.076 5.529 1.00 0.00 H new ATOM 0 HE1 HIS A 74 10.630 8.649 7.067 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.757 7.267 6.881 1.00 0.00 H new ATOM 1092 N SER A 75 10.631 6.323 1.888 1.00 0.00 N ATOM 1093 CA SER A 75 10.801 7.476 0.844 1.00 0.00 C ATOM 1094 C SER A 75 10.759 6.971 -0.688 1.00 0.00 C ATOM 1095 O SER A 75 10.087 7.604 -1.521 1.00 0.00 O ATOM 1096 CB SER A 75 12.091 8.335 1.141 1.00 0.00 C ATOM 1097 OG SER A 75 12.006 9.015 2.392 1.00 0.00 O ATOM 0 H SER A 75 11.429 6.263 2.520 1.00 0.00 H new ATOM 0 HA SER A 75 9.930 8.121 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.967 7.686 1.140 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.233 9.063 0.342 1.00 0.00 H new ATOM 0 HG SER A 75 12.824 9.534 2.539 1.00 0.00 H new ATOM 1103 N ALA A 76 11.361 5.669 -0.937 1.00 0.00 N ATOM 1104 CA ALA A 76 11.383 4.854 -2.239 1.00 0.00 C ATOM 1105 C ALA A 76 9.945 4.213 -2.655 1.00 0.00 C ATOM 1106 O ALA A 76 9.702 3.955 -3.878 1.00 0.00 O ATOM 1107 CB ALA A 76 12.463 3.759 -2.110 1.00 0.00 C ATOM 0 H ALA A 76 11.849 5.177 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 76 11.620 5.542 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.494 3.169 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.435 4.224 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.224 3.110 -1.268 1.00 0.00 H new ATOM 1113 N ALA A 77 8.980 4.019 -1.575 1.00 0.00 N ATOM 1114 CA ALA A 77 7.530 3.536 -1.716 1.00 0.00 C ATOM 1115 C ALA A 77 6.479 4.746 -1.926 1.00 0.00 C ATOM 1116 O ALA A 77 5.439 4.558 -2.618 1.00 0.00 O ATOM 1117 CB ALA A 77 7.158 2.644 -0.508 1.00 0.00 C ATOM 0 H ALA A 77 9.228 4.204 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 77 7.464 2.940 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.128 2.303 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.824 1.782 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.259 3.218 0.413 1.00 0.00 H new ATOM 1123 N VAL A 78 6.827 6.017 -1.325 1.00 0.00 N ATOM 1124 CA VAL A 78 6.078 7.416 -1.494 1.00 0.00 C ATOM 1125 C VAL A 78 6.413 8.065 -2.972 1.00 0.00 C ATOM 1126 O VAL A 78 5.496 8.533 -3.622 1.00 0.00 O ATOM 1127 CB VAL A 78 6.434 8.457 -0.184 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.792 9.875 -0.214 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.939 7.879 1.118 1.00 0.00 C ATOM 0 H VAL A 78 7.636 6.099 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 78 4.999 7.262 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 78 7.516 8.549 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.098 10.432 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.122 10.405 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.706 9.783 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.179 8.561 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.859 7.740 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.421 6.918 1.296 1.00 0.00 H new ATOM 1139 N GLU A 79 7.767 7.973 -3.448 1.00 0.00 N ATOM 1140 CA GLU A 79 8.374 8.456 -4.843 1.00 0.00 C ATOM 1141 C GLU A 79 7.769 7.750 -6.140 1.00 0.00 C ATOM 1142 O GLU A 79 7.785 8.336 -7.238 1.00 0.00 O ATOM 1143 CB GLU A 79 9.941 8.369 -4.873 1.00 0.00 C ATOM 1144 CG GLU A 79 10.679 9.493 -4.093 1.00 0.00 C ATOM 1145 CD GLU A 79 12.226 9.443 -4.167 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.852 8.795 -3.285 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.808 10.079 -5.088 1.00 0.00 O ATOM 0 H GLU A 79 8.489 7.552 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 79 8.063 9.499 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.244 7.405 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.271 8.392 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.344 10.458 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.380 9.443 -3.046 1.00 0.00 H new ATOM 1154 N ALA A 80 7.190 6.463 -5.936 1.00 0.00 N ATOM 1155 CA ALA A 80 6.340 5.671 -6.922 1.00 0.00 C ATOM 1156 C ALA A 80 4.844 6.287 -7.060 1.00 0.00 C ATOM 1157 O ALA A 80 4.218 6.190 -8.153 1.00 0.00 O ATOM 1158 CB ALA A 80 6.327 4.187 -6.485 1.00 0.00 C ATOM 0 H ALA A 80 7.319 5.960 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 80 6.778 5.742 -7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.722 3.608 -7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.346 3.800 -6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.904 4.106 -5.484 1.00 0.00 H new ATOM 1164 N LEU A 81 4.337 6.974 -5.884 1.00 0.00 N ATOM 1165 CA LEU A 81 2.987 7.650 -5.725 1.00 0.00 C ATOM 1166 C LEU A 81 2.949 9.203 -6.058 1.00 0.00 C ATOM 1167 O LEU A 81 1.943 9.691 -6.611 1.00 0.00 O ATOM 1168 CB LEU A 81 2.294 7.268 -4.300 1.00 0.00 C ATOM 1169 CG LEU A 81 2.315 5.737 -3.721 1.00 0.00 C ATOM 1170 CD1 LEU A 81 1.480 5.606 -2.525 1.00 0.00 C ATOM 1171 CD2 LEU A 81 1.956 4.614 -4.716 1.00 0.00 C ATOM 0 H LEU A 81 4.898 7.048 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 81 2.366 7.229 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.759 7.899 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.248 7.567 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 81 3.368 5.585 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.517 4.577 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.850 6.274 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.451 5.869 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.006 3.650 -4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.946 4.773 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.661 4.625 -5.547 1.00 0.00 H new ATOM 1183 N LYS A 82 4.117 9.940 -5.740 1.00 0.00 N ATOM 1184 CA LYS A 82 4.384 11.447 -5.960 1.00 0.00 C ATOM 1185 C LYS A 82 4.889 11.789 -7.442 1.00 0.00 C ATOM 1186 O LYS A 82 4.484 12.852 -8.000 1.00 0.00 O ATOM 1187 CB LYS A 82 5.437 12.024 -4.862 1.00 0.00 C ATOM 1188 CG LYS A 82 5.037 12.020 -3.293 1.00 0.00 C ATOM 1189 CD LYS A 82 4.066 13.169 -2.731 1.00 0.00 C ATOM 1190 CE LYS A 82 4.715 14.593 -2.416 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.633 14.603 -1.214 1.00 0.00 N ATOM 0 H LYS A 82 4.920 9.480 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 82 3.422 11.942 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.361 11.454 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.665 13.054 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.570 11.060 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.962 12.062 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.265 13.317 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.603 12.800 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.275 14.926 -3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.916 15.317 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.014 15.561 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.100 14.317 -0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.417 13.938 -1.371 1.00 0.00 H new ATOM 1205 N GLU A 83 5.760 10.824 -8.069 1.00 0.00 N ATOM 1206 CA GLU A 83 6.418 10.993 -9.509 1.00 0.00 C ATOM 1207 C GLU A 83 5.631 10.508 -10.787 1.00 0.00 C ATOM 1208 O GLU A 83 5.932 11.023 -11.936 1.00 0.00 O ATOM 1209 CB GLU A 83 7.884 10.521 -9.560 1.00 0.00 C ATOM 1210 CG GLU A 83 8.821 11.491 -8.861 1.00 0.00 C ATOM 1211 CD GLU A 83 10.337 11.171 -8.961 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.996 11.646 -9.927 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.869 10.472 -8.054 1.00 0.00 O ATOM 0 H GLU A 83 6.017 9.947 -7.616 1.00 0.00 H new ATOM 0 HA GLU A 83 6.359 12.078 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.965 9.539 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.191 10.406 -10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.653 12.486 -9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.548 11.532 -7.807 1.00 0.00 H new ATOM 1220 N ALA A 84 4.559 9.574 -10.609 1.00 0.00 N ATOM 1221 CA ALA A 84 3.639 9.015 -11.779 1.00 0.00 C ATOM 1222 C ALA A 84 2.806 10.147 -12.613 1.00 0.00 C ATOM 1223 O ALA A 84 2.423 9.924 -13.811 1.00 0.00 O ATOM 1224 CB ALA A 84 2.759 7.856 -11.293 1.00 0.00 C ATOM 0 H ALA A 84 4.310 9.197 -9.694 1.00 0.00 H new ATOM 0 HA ALA A 84 4.331 8.619 -12.522 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.142 7.497 -12.117 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.392 7.045 -10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.117 8.202 -10.483 1.00 0.00 H new ATOM 1230 N GLY A 85 2.596 11.362 -11.899 1.00 0.00 N ATOM 1231 CA GLY A 85 2.157 12.674 -12.482 1.00 0.00 C ATOM 1232 C GLY A 85 0.742 13.178 -12.240 1.00 0.00 C ATOM 1233 O GLY A 85 0.565 14.412 -12.087 1.00 0.00 O ATOM 0 H GLY A 85 2.739 11.419 -10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.841 13.438 -12.113 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.300 12.613 -13.561 1.00 0.00 H new ATOM 1237 N SER A 86 -0.292 12.202 -12.175 1.00 0.00 N ATOM 1238 CA SER A 86 -1.838 12.434 -12.071 1.00 0.00 C ATOM 1239 C SER A 86 -2.610 11.062 -11.833 1.00 0.00 C ATOM 1240 O SER A 86 -3.697 11.085 -11.212 1.00 0.00 O ATOM 1241 CB SER A 86 -2.418 13.185 -13.391 1.00 0.00 C ATOM 1242 OG SER A 86 -3.779 13.637 -13.271 1.00 0.00 O ATOM 0 H SER A 86 -0.068 11.207 -12.194 1.00 0.00 H new ATOM 0 HA SER A 86 -2.009 13.081 -11.211 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.782 14.042 -13.615 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.348 12.506 -14.240 1.00 0.00 H new ATOM 0 HG SER A 86 -4.052 14.078 -14.103 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.030 9.869 -12.390 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.627 8.461 -12.300 1.00 0.00 C ATOM 1250 C ILE A 87 -1.573 7.480 -11.654 1.00 0.00 C ATOM 1251 O ILE A 87 -0.435 7.299 -12.171 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.300 7.869 -13.778 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.302 8.929 -14.583 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.955 6.391 -13.703 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.614 9.530 -13.892 1.00 0.00 C ATOM 0 H ILE A 87 -1.148 9.887 -12.901 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.496 8.520 -11.644 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.401 7.774 -14.387 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.688 9.777 -14.886 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.626 8.428 -15.495 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.347 6.117 -14.682 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.194 5.671 -13.402 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.765 6.389 -12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.120 10.197 -14.590 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.285 8.717 -13.616 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.332 10.087 -12.998 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.074 6.836 -10.541 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.368 5.791 -9.664 1.00 0.00 C ATOM 1269 C VAL A 88 -2.202 4.436 -9.523 1.00 0.00 C ATOM 1270 O VAL A 88 -3.385 4.462 -9.064 1.00 0.00 O ATOM 1271 CB VAL A 88 -0.715 6.333 -8.213 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.471 7.279 -8.423 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -1.699 6.990 -7.156 1.00 0.00 C ATOM 0 H VAL A 88 -3.018 7.029 -10.206 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.472 5.558 -10.239 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.403 5.388 -7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.856 7.600 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.257 6.761 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.145 8.150 -8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.136 7.290 -6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.175 7.865 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.463 6.266 -6.871 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.528 3.274 -9.944 1.00 0.00 N ATOM 1284 CA ARG A 89 -2.110 1.835 -9.970 1.00 0.00 C ATOM 1285 C ARG A 89 -1.418 0.811 -8.980 1.00 0.00 C ATOM 1286 O ARG A 89 -0.298 0.321 -9.230 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.457 1.237 -11.471 1.00 0.00 C ATOM 1288 CG ARG A 89 -1.408 1.284 -12.598 1.00 0.00 C ATOM 1289 CD ARG A 89 -2.032 0.693 -13.824 1.00 0.00 C ATOM 1290 NE ARG A 89 -1.109 0.698 -15.035 1.00 0.00 N ATOM 1291 CZ ARG A 89 -1.366 0.291 -16.376 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -2.567 -0.206 -16.818 1.00 0.00 N ATOM 1293 NH2 ARG A 89 -0.381 0.400 -17.259 1.00 0.00 N ATOM 0 H ARG A 89 -0.564 3.306 -10.276 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.099 1.969 -9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.743 0.193 -11.342 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.339 1.767 -11.831 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.094 2.311 -12.786 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.517 0.724 -12.315 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.334 -0.332 -13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.938 1.248 -14.065 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.166 1.045 -14.860 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.348 -0.304 -16.170 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.678 -0.478 -17.795 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.526 0.766 -16.969 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.531 0.118 -18.228 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.188 0.500 -7.850 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.810 -0.389 -6.662 1.00 0.00 C ATOM 1309 C LEU A 90 -2.326 -1.880 -6.767 1.00 0.00 C ATOM 1310 O LEU A 90 -3.501 -2.134 -7.189 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.179 0.341 -5.215 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.640 0.854 -4.846 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.533 -0.245 -4.258 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -3.515 2.007 -3.898 1.00 0.00 C ATOM 0 H LEU A 90 -3.128 0.881 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.726 -0.494 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.892 -0.362 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.518 1.203 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.131 1.170 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.515 0.168 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.640 -1.053 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.080 -0.633 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.508 2.371 -3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.997 1.682 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.949 2.809 -4.373 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.376 -2.845 -6.366 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.585 -4.332 -6.311 1.00 0.00 C ATOM 1328 C TYR A 91 -1.445 -4.865 -4.844 1.00 0.00 C ATOM 1329 O TYR A 91 -0.275 -4.907 -4.251 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.632 -5.121 -7.386 1.00 0.00 C ATOM 1331 CG TYR A 91 -1.004 -6.617 -7.800 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.272 -6.977 -8.305 1.00 0.00 C ATOM 1333 CD2 TYR A 91 -0.072 -7.619 -7.655 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.579 -8.245 -8.637 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.359 -8.920 -7.989 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.619 -9.239 -8.484 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.911 -10.540 -8.832 1.00 0.00 O ATOM 0 H TYR A 91 -0.436 -2.578 -6.072 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.609 -4.544 -6.619 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.602 -4.525 -8.298 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.380 -5.134 -6.981 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.021 -6.209 -8.429 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.907 -7.377 -7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.560 -8.487 -9.018 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.389 -9.690 -7.868 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.130 -11.107 -8.663 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.680 -5.304 -4.319 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.931 -5.829 -2.863 1.00 0.00 C ATOM 1349 C VAL A 92 -3.145 -7.469 -2.739 1.00 0.00 C ATOM 1350 O VAL A 92 -3.551 -8.144 -3.739 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.142 -4.968 -2.049 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.865 -3.461 -1.924 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.578 -5.193 -2.608 1.00 0.00 C ATOM 0 H VAL A 92 -3.530 -5.307 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.991 -5.628 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.106 -5.400 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.687 -2.983 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.937 -3.306 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.775 -3.024 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.290 -4.605 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.615 -4.882 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.836 -6.250 -2.535 1.00 0.00 H new ATOM 1363 N MET A 93 -2.921 -7.998 -1.432 1.00 0.00 N ATOM 1364 CA MET A 93 -2.939 -9.499 -0.988 1.00 0.00 C ATOM 1365 C MET A 93 -3.904 -9.814 0.253 1.00 0.00 C ATOM 1366 O MET A 93 -3.715 -9.260 1.382 1.00 0.00 O ATOM 1367 CB MET A 93 -1.430 -10.161 -0.819 1.00 0.00 C ATOM 1368 CG MET A 93 -0.362 -9.484 0.188 1.00 0.00 C ATOM 1369 SD MET A 93 1.283 -10.317 0.288 1.00 0.00 S ATOM 1370 CE MET A 93 1.030 -11.726 1.416 1.00 0.00 C ATOM 0 H MET A 93 -2.720 -7.379 -0.647 1.00 0.00 H new ATOM 0 HA MET A 93 -3.396 -10.016 -1.832 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.563 -11.196 -0.504 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.973 -10.185 -1.808 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.207 -8.449 -0.118 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.797 -9.459 1.187 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.965 -12.274 1.529 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.705 -11.359 2.390 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.268 -12.389 1.005 1.00 0.00 H new ATOM 1380 N ARG A 94 -4.938 -10.743 -0.022 1.00 0.00 N ATOM 1381 CA ARG A 94 -5.967 -11.294 0.957 1.00 0.00 C ATOM 1382 C ARG A 94 -5.778 -12.895 1.030 1.00 0.00 C ATOM 1383 O ARG A 94 -5.764 -13.609 -0.029 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.468 -10.822 0.518 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.587 -10.836 1.612 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.918 -10.333 1.053 1.00 0.00 C ATOM 1387 NE ARG A 94 -11.026 -10.340 2.096 1.00 0.00 N ATOM 1388 CZ ARG A 94 -12.349 -9.821 2.022 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.866 -9.173 0.928 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -13.136 -9.968 3.080 1.00 0.00 N ATOM 0 H ARG A 94 -5.065 -11.126 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.820 -10.898 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.398 -9.808 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.794 -11.462 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.711 -11.849 1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.284 -10.212 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.789 -9.320 0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.213 -10.957 0.209 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.784 -10.784 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.291 -9.038 0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.825 -8.827 0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.787 -10.441 3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.090 -9.608 3.060 1.00 0.00 H new ATOM 1404 N ARG A 95 -5.625 -13.405 2.330 1.00 0.00 N ATOM 1405 CA ARG A 95 -5.347 -14.884 2.713 1.00 0.00 C ATOM 1406 C ARG A 95 -6.615 -15.823 2.814 1.00 0.00 C ATOM 1407 O ARG A 95 -7.686 -15.422 3.371 1.00 0.00 O ATOM 1408 CB ARG A 95 -4.395 -15.036 3.985 1.00 0.00 C ATOM 1409 CG ARG A 95 -2.896 -14.866 3.702 1.00 0.00 C ATOM 1410 CD ARG A 95 -2.060 -15.232 4.920 1.00 0.00 C ATOM 1411 NE ARG A 95 -0.566 -15.071 4.669 1.00 0.00 N ATOM 1412 CZ ARG A 95 0.537 -15.376 5.514 1.00 0.00 C ATOM 1413 NH1 ARG A 95 0.423 -15.907 6.775 1.00 0.00 N ATOM 1414 NH2 ARG A 95 1.759 -15.137 5.054 1.00 0.00 N ATOM 0 H ARG A 95 -5.691 -12.802 3.150 1.00 0.00 H new ATOM 0 HA ARG A 95 -4.803 -15.256 1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -4.693 -14.301 4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -4.556 -16.020 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.609 -15.494 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.692 -13.834 3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.354 -14.604 5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.269 -16.263 5.204 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.319 -14.686 3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.499 -16.108 7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.260 -16.100 7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.885 -14.746 4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.572 -15.344 5.634 1.00 0.00 H new ATOM 1428 N LYS A 96 -6.436 -17.097 2.205 1.00 0.00 N ATOM 1429 CA LYS A 96 -7.451 -18.269 2.124 1.00 0.00 C ATOM 1430 C LYS A 96 -7.952 -18.944 3.568 1.00 0.00 C ATOM 1431 O LYS A 96 -7.055 -19.378 4.350 1.00 0.00 O ATOM 1432 CB LYS A 96 -7.016 -19.386 0.994 1.00 0.00 C ATOM 1433 CG LYS A 96 -5.583 -20.152 1.063 1.00 0.00 C ATOM 1434 CD LYS A 96 -5.570 -21.443 1.930 1.00 0.00 C ATOM 1435 CE LYS A 96 -4.198 -22.111 1.927 1.00 0.00 C ATOM 1436 NZ LYS A 96 -4.184 -23.353 2.748 1.00 0.00 N ATOM 0 H LYS A 96 -5.556 -17.335 1.747 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.366 -17.785 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.787 -20.156 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.064 -18.891 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.276 -20.410 0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.837 -19.461 1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.853 -21.197 2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.316 -22.142 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.913 -22.350 0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.454 -21.413 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.235 -23.777 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.432 -23.122 3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.876 -24.029 2.367 1.00 0.00 H new ATOM 1450 N PRO A 97 -9.445 -18.975 3.969 1.00 0.00 N ATOM 1451 CA PRO A 97 -9.979 -19.710 5.230 1.00 0.00 C ATOM 1452 C PRO A 97 -10.068 -21.383 5.125 1.00 0.00 C ATOM 1453 O PRO A 97 -10.363 -21.881 3.990 1.00 0.00 O ATOM 1454 CB PRO A 97 -11.410 -19.077 5.455 1.00 0.00 C ATOM 1455 CG PRO A 97 -11.505 -17.888 4.523 1.00 0.00 C ATOM 1456 CD PRO A 97 -10.639 -18.217 3.328 1.00 0.00 C ATOM 0 HA PRO A 97 -9.284 -19.571 6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.194 -19.803 5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.539 -18.768 6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.537 -17.713 4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.159 -16.979 5.015 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.168 -18.835 2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.314 -17.318 2.804 1.00 0.00 H new ATOM 1464 N PRO A 98 -9.771 -22.301 6.338 1.00 0.00 N ATOM 1465 CA PRO A 98 -9.899 -23.860 6.301 1.00 0.00 C ATOM 1466 C PRO A 98 -11.406 -24.465 6.173 1.00 0.00 C ATOM 1467 O PRO A 98 -12.356 -24.006 6.896 1.00 0.00 O ATOM 1468 CB PRO A 98 -9.181 -24.321 7.635 1.00 0.00 C ATOM 1469 CG PRO A 98 -8.401 -23.125 8.121 1.00 0.00 C ATOM 1470 CD PRO A 98 -9.210 -21.911 7.731 1.00 0.00 C ATOM 0 HA PRO A 98 -9.447 -24.247 5.388 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.910 -24.641 8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -8.521 -25.169 7.450 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.256 -23.167 9.201 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -7.410 -23.095 7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.008 -21.710 8.446 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.593 -21.014 7.681 1.00 0.00 H new ATOM 1478 N ALA A 99 -11.561 -25.478 5.176 1.00 0.00 N ATOM 1479 CA ALA A 99 -12.848 -26.224 4.828 1.00 0.00 C ATOM 1480 C ALA A 99 -12.793 -27.760 5.220 1.00 0.00 C ATOM 1481 O ALA A 99 -12.007 -28.558 4.599 1.00 0.00 O ATOM 1482 CB ALA A 99 -13.287 -25.974 3.330 1.00 0.00 C ATOM 1483 OXT ALA A 99 -13.537 -28.142 6.151 1.00 0.00 O ATOM 0 H ALA A 99 -10.775 -25.783 4.602 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.637 -25.800 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.206 -26.522 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.457 -24.909 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.501 -26.318 2.658 1.00 0.00 H new TER 1489 ALA A 99 ATOM 1490 N VAL B 1 5.905 -2.997 19.728 1.00 0.00 N ATOM 1491 CA VAL B 1 6.362 -1.998 18.705 1.00 0.00 C ATOM 1492 C VAL B 1 7.531 -1.058 19.260 1.00 0.00 C ATOM 1493 O VAL B 1 7.412 -0.453 20.371 1.00 0.00 O ATOM 1494 CB VAL B 1 5.080 -1.272 17.924 1.00 0.00 C ATOM 1495 CG1 VAL B 1 4.188 -0.213 18.674 1.00 0.00 C ATOM 1496 CG2 VAL B 1 5.359 -0.897 16.457 1.00 0.00 C ATOM 0 H1 VAL B 1 5.159 -3.596 19.320 1.00 0.00 H new ATOM 0 H2 VAL B 1 6.708 -3.592 20.015 1.00 0.00 H new ATOM 0 H3 VAL B 1 5.531 -2.496 20.559 1.00 0.00 H new ATOM 0 HA VAL B 1 6.861 -2.519 17.888 1.00 0.00 H new ATOM 0 HB VAL B 1 4.400 -2.124 17.938 1.00 0.00 H new ATOM 0 HG11 VAL B 1 3.407 0.146 18.003 1.00 0.00 H new ATOM 0 HG12 VAL B 1 3.731 -0.676 19.548 1.00 0.00 H new ATOM 0 HG13 VAL B 1 4.808 0.626 18.991 1.00 0.00 H new ATOM 0 HG21 VAL B 1 4.473 -0.431 16.026 1.00 0.00 H new ATOM 0 HG22 VAL B 1 6.195 -0.199 16.413 1.00 0.00 H new ATOM 0 HG23 VAL B 1 5.607 -1.796 15.893 1.00 0.00 H new ATOM 1508 N VAL B 2 8.631 -0.973 18.395 1.00 0.00 N ATOM 1509 CA VAL B 2 9.945 -0.254 18.661 1.00 0.00 C ATOM 1510 C VAL B 2 10.062 1.225 17.979 1.00 0.00 C ATOM 1511 O VAL B 2 10.519 2.170 18.675 1.00 0.00 O ATOM 1512 CB VAL B 2 11.274 -1.285 18.438 1.00 0.00 C ATOM 1513 CG1 VAL B 2 11.632 -1.745 16.969 1.00 0.00 C ATOM 1514 CG2 VAL B 2 12.550 -0.918 19.264 1.00 0.00 C ATOM 0 H VAL B 2 8.618 -1.416 17.476 1.00 0.00 H new ATOM 0 HA VAL B 2 9.958 0.001 19.721 1.00 0.00 H new ATOM 0 HB VAL B 2 10.850 -2.187 18.879 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.504 -2.399 16.995 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.787 -2.284 16.540 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.853 -0.870 16.357 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.341 -1.637 19.050 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.885 0.082 18.990 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.314 -0.943 20.328 1.00 0.00 H new ATOM 1524 N SER B 3 9.606 1.366 16.615 1.00 0.00 N ATOM 1525 CA SER B 3 9.821 2.631 15.727 1.00 0.00 C ATOM 1526 C SER B 3 8.703 2.825 14.689 1.00 0.00 C ATOM 1527 O SER B 3 8.404 1.889 13.912 1.00 0.00 O ATOM 1528 CB SER B 3 11.275 2.737 15.025 1.00 0.00 C ATOM 1529 OG SER B 3 12.325 2.864 15.978 1.00 0.00 O ATOM 0 H SER B 3 9.099 0.625 16.131 1.00 0.00 H new ATOM 0 HA SER B 3 9.776 3.452 16.443 1.00 0.00 H new ATOM 0 HB2 SER B 3 11.447 1.851 14.414 1.00 0.00 H new ATOM 0 HB3 SER B 3 11.291 3.595 14.353 1.00 0.00 H new ATOM 0 HG SER B 3 13.185 2.923 15.511 1.00 0.00 H new ATOM 1535 N GLU B 4 7.977 4.067 14.752 1.00 0.00 N ATOM 1536 CA GLU B 4 6.916 4.527 13.727 1.00 0.00 C ATOM 1537 C GLU B 4 6.842 6.086 13.573 1.00 0.00 C ATOM 1538 O GLU B 4 6.676 6.857 14.581 1.00 0.00 O ATOM 1539 CB GLU B 4 5.441 3.856 13.928 1.00 0.00 C ATOM 1540 CG GLU B 4 4.809 3.298 12.636 1.00 0.00 C ATOM 1541 CD GLU B 4 3.521 2.448 12.860 1.00 0.00 C ATOM 1542 OE1 GLU B 4 2.407 3.016 12.895 1.00 0.00 O ATOM 1543 OE2 GLU B 4 3.643 1.200 12.983 1.00 0.00 O ATOM 0 H GLU B 4 8.122 4.744 15.501 1.00 0.00 H new ATOM 0 HA GLU B 4 7.280 4.133 12.778 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.519 3.049 14.657 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.771 4.604 14.351 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.569 4.131 11.975 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.548 2.685 12.120 1.00 0.00 H new ATOM 1550 N ARG B 5 7.048 6.504 12.237 1.00 0.00 N ATOM 1551 CA ARG B 5 6.786 7.863 11.664 1.00 0.00 C ATOM 1552 C ARG B 5 5.727 7.623 10.457 1.00 0.00 C ATOM 1553 O ARG B 5 6.117 7.396 9.249 1.00 0.00 O ATOM 1554 CB ARG B 5 8.182 8.606 11.229 1.00 0.00 C ATOM 1555 CG ARG B 5 8.155 10.181 11.149 1.00 0.00 C ATOM 1556 CD ARG B 5 9.493 10.807 10.655 1.00 0.00 C ATOM 1557 NE ARG B 5 9.680 10.803 9.125 1.00 0.00 N ATOM 1558 CZ ARG B 5 10.713 11.384 8.342 1.00 0.00 C ATOM 1559 NH1 ARG B 5 11.801 12.039 8.862 1.00 0.00 N ATOM 1560 NH2 ARG B 5 10.629 11.284 7.022 1.00 0.00 N ATOM 0 H ARG B 5 7.413 5.861 11.534 1.00 0.00 H new ATOM 0 HA ARG B 5 6.355 8.557 12.386 1.00 0.00 H new ATOM 0 HB2 ARG B 5 8.957 8.315 11.938 1.00 0.00 H new ATOM 0 HB3 ARG B 5 8.482 8.222 10.254 1.00 0.00 H new ATOM 0 HG2 ARG B 5 7.352 10.488 10.479 1.00 0.00 H new ATOM 0 HG3 ARG B 5 7.919 10.582 12.135 1.00 0.00 H new ATOM 0 HD2 ARG B 5 9.551 11.835 11.012 1.00 0.00 H new ATOM 0 HD3 ARG B 5 10.322 10.265 11.110 1.00 0.00 H new ATOM 0 HE ARG B 5 8.957 10.312 8.599 1.00 0.00 H new ATOM 0 HH11 ARG B 5 11.905 12.132 9.872 1.00 0.00 H new ATOM 0 HH12 ARG B 5 12.506 12.432 8.238 1.00 0.00 H new ATOM 0 HH21 ARG B 5 9.838 10.800 6.596 1.00 0.00 H new ATOM 0 HH22 ARG B 5 11.355 11.691 6.432 1.00 0.00 H new ATOM 1574 N ILE B 6 4.358 7.549 10.880 1.00 0.00 N ATOM 1575 CA ILE B 6 3.160 7.283 9.949 1.00 0.00 C ATOM 1576 C ILE B 6 2.408 8.637 9.499 1.00 0.00 C ATOM 1577 O ILE B 6 1.288 8.996 9.970 1.00 0.00 O ATOM 1578 CB ILE B 6 2.212 5.904 10.383 1.00 0.00 C ATOM 1579 CG1 ILE B 6 1.154 5.320 9.288 1.00 0.00 C ATOM 1580 CG2 ILE B 6 1.473 6.016 11.759 1.00 0.00 C ATOM 1581 CD1 ILE B 6 1.674 4.773 7.948 1.00 0.00 C ATOM 0 H ILE B 6 4.082 7.672 11.854 1.00 0.00 H new ATOM 0 HA ILE B 6 3.552 6.928 8.996 1.00 0.00 H new ATOM 0 HB ILE B 6 3.024 5.179 10.445 1.00 0.00 H new ATOM 0 HG12 ILE B 6 0.592 4.520 9.771 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.445 6.116 9.062 1.00 0.00 H new ATOM 0 HG21 ILE B 6 0.906 5.104 11.943 1.00 0.00 H new ATOM 0 HG22 ILE B 6 2.205 6.155 12.555 1.00 0.00 H new ATOM 0 HG23 ILE B 6 0.793 6.868 11.739 1.00 0.00 H new ATOM 0 HD11 ILE B 6 0.834 4.428 7.345 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.204 5.562 7.414 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.353 3.941 8.134 1.00 0.00 H new ATOM 1593 N SER B 7 3.206 9.368 8.647 1.00 0.00 N ATOM 1594 CA SER B 7 2.899 10.747 7.979 1.00 0.00 C ATOM 1595 C SER B 7 2.910 10.720 6.333 1.00 0.00 C ATOM 1596 O SER B 7 2.934 11.810 5.653 1.00 0.00 O ATOM 1597 CB SER B 7 3.862 11.896 8.609 1.00 0.00 C ATOM 1598 OG SER B 7 5.265 11.617 8.452 1.00 0.00 O ATOM 0 H SER B 7 4.127 9.023 8.376 1.00 0.00 H new ATOM 0 HA SER B 7 1.866 10.997 8.219 1.00 0.00 H new ATOM 0 HB2 SER B 7 3.634 12.851 8.135 1.00 0.00 H new ATOM 0 HB3 SER B 7 3.638 12.006 9.670 1.00 0.00 H new ATOM 0 HG SER B 7 5.789 12.344 8.849 1.00 0.00 H new ATOM 1604 N SER B 8 2.743 9.435 5.728 1.00 0.00 N ATOM 1605 CA SER B 8 2.839 9.090 4.221 1.00 0.00 C ATOM 1606 C SER B 8 1.454 9.339 3.359 1.00 0.00 C ATOM 1607 O SER B 8 0.518 10.007 3.877 1.00 0.00 O ATOM 1608 CB SER B 8 3.443 7.630 4.065 1.00 0.00 C ATOM 1609 OG SER B 8 4.754 7.516 4.630 1.00 0.00 O ATOM 0 H SER B 8 2.536 8.611 6.292 1.00 0.00 H new ATOM 0 HA SER B 8 3.521 9.805 3.760 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.779 6.912 4.547 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.482 7.368 3.008 1.00 0.00 H new ATOM 0 HG SER B 8 4.964 6.571 4.782 1.00 0.00 H new ATOM 1615 N VAL B 9 1.395 8.809 2.019 1.00 0.00 N ATOM 1616 CA VAL B 9 0.269 9.039 0.971 1.00 0.00 C ATOM 1617 C VAL B 9 -0.477 7.650 0.678 1.00 0.00 C ATOM 1618 O VAL B 9 -1.692 7.608 0.857 1.00 0.00 O ATOM 1619 CB VAL B 9 0.813 9.819 -0.477 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.327 10.468 -1.308 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.855 10.958 -0.248 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.173 6.678 0.304 1.00 0.00 O ATOM 0 H VAL B 9 2.137 8.212 1.654 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.445 9.742 1.401 1.00 0.00 H new ATOM 0 HB VAL B 9 1.268 8.985 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.093 10.936 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.043 9.701 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.832 11.223 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.139 11.389 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.416 11.732 0.382 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.739 10.549 0.242 1.00 0.00 H new TER 1632 VAL B 9