USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 471 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 24:sc= 0.213 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 6:sc= 0.77! USER MOD Single : A 11 ASN : amide:sc= -1.5 K(o=-1.5,f=-6.3!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= -10.9! C(o=-11!,f=-13!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 162:sc= -2.38 (180deg=-4.62!) USER MOD Single : A 22 ASN : amide:sc=-0.00518 X(o=-0.0052,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 CYS SG : rot 150:sc= 0.0718 USER MOD Single : A 34 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 43 HIS : no HE2:sc= -2.15! C(o=-2.1!,f=-4.5!) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.902 F(o=-2.7!,f=-0.9) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 82:sc= 0.0809 USER MOD Single : A 55 GLN : amide:sc= -0.281 K(o=-0.28,f=-1.7!) USER MOD Single : A 57 THR OG1 : rot -61:sc= 0.212 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 61 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.46) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-0.88) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.0086) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.007 -23.440 -4.723 1.00 0.00 N ATOM 2 CA GLY A 1 29.001 -22.947 -6.090 1.00 0.00 C ATOM 3 C GLY A 1 29.103 -21.421 -6.123 1.00 0.00 C ATOM 4 O GLY A 1 28.131 -20.737 -6.441 1.00 0.00 O ATOM 0 H1 GLY A 1 28.937 -24.478 -4.728 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.891 -23.155 -4.255 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.197 -23.041 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.834 -23.383 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.087 -23.265 -6.591 1.00 0.00 H new ATOM 8 N SER A 2 30.288 -20.932 -5.791 1.00 0.00 N ATOM 9 CA SER A 2 30.530 -19.499 -5.778 1.00 0.00 C ATOM 10 C SER A 2 30.058 -18.877 -7.094 1.00 0.00 C ATOM 11 O SER A 2 30.477 -19.301 -8.170 1.00 0.00 O ATOM 12 CB SER A 2 32.011 -19.193 -5.547 1.00 0.00 C ATOM 13 OG SER A 2 32.253 -18.682 -4.239 1.00 0.00 O ATOM 0 H SER A 2 31.092 -21.503 -5.529 1.00 0.00 H new ATOM 0 HA SER A 2 29.964 -19.064 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.596 -20.101 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.351 -18.469 -6.288 1.00 0.00 H new ATOM 0 HG SER A 2 33.210 -18.501 -4.130 1.00 0.00 H new ATOM 19 N SER A 3 29.193 -17.882 -6.964 1.00 0.00 N ATOM 20 CA SER A 3 28.660 -17.198 -8.130 1.00 0.00 C ATOM 21 C SER A 3 28.398 -15.727 -7.798 1.00 0.00 C ATOM 22 O SER A 3 28.256 -15.366 -6.631 1.00 0.00 O ATOM 23 CB SER A 3 27.376 -17.868 -8.622 1.00 0.00 C ATOM 24 OG SER A 3 26.448 -18.088 -7.563 1.00 0.00 O ATOM 0 H SER A 3 28.848 -17.533 -6.070 1.00 0.00 H new ATOM 0 HA SER A 3 29.398 -17.258 -8.930 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.912 -17.245 -9.387 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.621 -18.820 -9.092 1.00 0.00 H new ATOM 0 HG SER A 3 25.641 -18.516 -7.919 1.00 0.00 H new ATOM 30 N GLY A 4 28.341 -14.919 -8.846 1.00 0.00 N ATOM 31 CA GLY A 4 28.099 -13.495 -8.682 1.00 0.00 C ATOM 32 C GLY A 4 27.702 -12.849 -10.010 1.00 0.00 C ATOM 33 O GLY A 4 28.421 -11.996 -10.529 1.00 0.00 O ATOM 0 H GLY A 4 28.458 -15.223 -9.813 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.309 -13.339 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.996 -13.013 -8.293 1.00 0.00 H new ATOM 37 N SER A 5 26.559 -13.280 -10.524 1.00 0.00 N ATOM 38 CA SER A 5 26.058 -12.755 -11.782 1.00 0.00 C ATOM 39 C SER A 5 24.807 -11.910 -11.535 1.00 0.00 C ATOM 40 O SER A 5 23.686 -12.402 -11.661 1.00 0.00 O ATOM 41 CB SER A 5 25.750 -13.884 -12.767 1.00 0.00 C ATOM 42 OG SER A 5 26.147 -13.556 -14.096 1.00 0.00 O ATOM 0 H SER A 5 25.965 -13.988 -10.091 1.00 0.00 H new ATOM 0 HA SER A 5 26.832 -12.127 -12.223 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.262 -14.792 -12.449 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.681 -14.098 -12.750 1.00 0.00 H new ATOM 0 HG SER A 5 25.935 -14.303 -14.694 1.00 0.00 H new ATOM 48 N SER A 6 25.039 -10.652 -11.188 1.00 0.00 N ATOM 49 CA SER A 6 23.945 -9.735 -10.922 1.00 0.00 C ATOM 50 C SER A 6 23.167 -9.461 -12.211 1.00 0.00 C ATOM 51 O SER A 6 23.747 -9.053 -13.215 1.00 0.00 O ATOM 52 CB SER A 6 24.458 -8.424 -10.323 1.00 0.00 C ATOM 53 OG SER A 6 25.388 -7.772 -11.184 1.00 0.00 O ATOM 0 H SER A 6 25.969 -10.247 -11.085 1.00 0.00 H new ATOM 0 HA SER A 6 23.279 -10.199 -10.195 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.616 -7.760 -10.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.933 -8.625 -9.363 1.00 0.00 H new ATOM 0 HG SER A 6 25.236 -8.060 -12.108 1.00 0.00 H new ATOM 59 N GLY A 7 21.865 -9.697 -12.139 1.00 0.00 N ATOM 60 CA GLY A 7 21.001 -9.481 -13.288 1.00 0.00 C ATOM 61 C GLY A 7 20.951 -7.999 -13.665 1.00 0.00 C ATOM 62 O GLY A 7 20.548 -7.163 -12.858 1.00 0.00 O ATOM 0 H GLY A 7 21.388 -10.035 -11.304 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.364 -10.063 -14.135 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.996 -9.837 -13.064 1.00 0.00 H new ATOM 66 N MET A 8 21.366 -7.720 -14.892 1.00 0.00 N ATOM 67 CA MET A 8 21.373 -6.353 -15.386 1.00 0.00 C ATOM 68 C MET A 8 20.151 -5.582 -14.885 1.00 0.00 C ATOM 69 O MET A 8 19.101 -6.172 -14.632 1.00 0.00 O ATOM 70 CB MET A 8 21.378 -6.364 -16.916 1.00 0.00 C ATOM 71 CG MET A 8 20.081 -6.963 -17.465 1.00 0.00 C ATOM 72 SD MET A 8 19.579 -6.086 -18.936 1.00 0.00 S ATOM 73 CE MET A 8 18.896 -7.437 -19.883 1.00 0.00 C ATOM 0 H MET A 8 21.700 -8.416 -15.558 1.00 0.00 H new ATOM 0 HA MET A 8 22.269 -5.857 -15.014 1.00 0.00 H new ATOM 0 HB2 MET A 8 21.500 -5.347 -17.290 1.00 0.00 H new ATOM 0 HB3 MET A 8 22.230 -6.941 -17.276 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.226 -8.019 -17.693 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.296 -6.905 -16.711 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.532 -7.063 -20.840 1.00 0.00 H new ATOM 0 HE2 MET A 8 19.668 -8.187 -20.056 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.070 -7.887 -19.332 1.00 0.00 H new ATOM 83 N SER A 9 20.327 -4.275 -14.755 1.00 0.00 N ATOM 84 CA SER A 9 19.252 -3.417 -14.288 1.00 0.00 C ATOM 85 C SER A 9 18.529 -2.788 -15.481 1.00 0.00 C ATOM 86 O SER A 9 19.108 -1.984 -16.209 1.00 0.00 O ATOM 87 CB SER A 9 19.782 -2.328 -13.354 1.00 0.00 C ATOM 88 OG SER A 9 20.354 -1.240 -14.074 1.00 0.00 O ATOM 0 H SER A 9 21.199 -3.789 -14.965 1.00 0.00 H new ATOM 0 HA SER A 9 18.547 -4.028 -13.725 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.969 -1.961 -12.727 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.531 -2.755 -12.687 1.00 0.00 H new ATOM 0 HG SER A 9 20.212 -1.373 -15.035 1.00 0.00 H new ATOM 94 N VAL A 10 17.273 -3.179 -15.644 1.00 0.00 N ATOM 95 CA VAL A 10 16.465 -2.663 -16.736 1.00 0.00 C ATOM 96 C VAL A 10 15.254 -1.924 -16.164 1.00 0.00 C ATOM 97 O VAL A 10 14.877 -0.864 -16.661 1.00 0.00 O ATOM 98 CB VAL A 10 16.079 -3.801 -17.684 1.00 0.00 C ATOM 99 CG1 VAL A 10 15.378 -4.930 -16.926 1.00 0.00 C ATOM 100 CG2 VAL A 10 15.207 -3.286 -18.831 1.00 0.00 C ATOM 0 H VAL A 10 16.796 -3.847 -15.038 1.00 0.00 H new ATOM 0 HA VAL A 10 17.034 -1.945 -17.326 1.00 0.00 H new ATOM 0 HB VAL A 10 16.995 -4.205 -18.115 1.00 0.00 H new ATOM 0 HG11 VAL A 10 15.114 -5.726 -17.622 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.046 -5.324 -16.160 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.474 -4.545 -16.455 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.947 -4.114 -19.490 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.297 -2.844 -18.426 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.756 -2.532 -19.395 1.00 0.00 H new ATOM 110 N ASN A 11 14.678 -2.513 -15.126 1.00 0.00 N ATOM 111 CA ASN A 11 13.518 -1.923 -14.480 1.00 0.00 C ATOM 112 C ASN A 11 13.030 -2.854 -13.368 1.00 0.00 C ATOM 113 O ASN A 11 13.316 -4.050 -13.386 1.00 0.00 O ATOM 114 CB ASN A 11 12.371 -1.735 -15.475 1.00 0.00 C ATOM 115 CG ASN A 11 11.967 -3.069 -16.106 1.00 0.00 C ATOM 116 OD1 ASN A 11 12.541 -3.523 -17.082 1.00 0.00 O ATOM 117 ND2 ASN A 11 10.949 -3.670 -15.496 1.00 0.00 N ATOM 0 H ASN A 11 14.993 -3.392 -14.717 1.00 0.00 H new ATOM 0 HA ASN A 11 13.812 -0.953 -14.079 1.00 0.00 H new ATOM 0 HB2 ASN A 11 11.513 -1.294 -14.967 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.673 -1.036 -16.255 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.604 -4.566 -15.841 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.513 -3.235 -14.683 1.00 0.00 H new ATOM 124 N MET A 12 12.304 -2.269 -12.427 1.00 0.00 N ATOM 125 CA MET A 12 11.774 -3.031 -11.309 1.00 0.00 C ATOM 126 C MET A 12 10.449 -2.442 -10.822 1.00 0.00 C ATOM 127 O MET A 12 10.383 -1.868 -9.735 1.00 0.00 O ATOM 128 CB MET A 12 12.788 -3.027 -10.162 1.00 0.00 C ATOM 129 CG MET A 12 12.388 -4.025 -9.074 1.00 0.00 C ATOM 130 SD MET A 12 12.478 -3.248 -7.470 1.00 0.00 S ATOM 131 CE MET A 12 13.942 -4.037 -6.823 1.00 0.00 C ATOM 0 H MET A 12 12.070 -1.276 -12.416 1.00 0.00 H new ATOM 0 HA MET A 12 11.594 -4.053 -11.643 1.00 0.00 H new ATOM 0 HB2 MET A 12 13.777 -3.278 -10.545 1.00 0.00 H new ATOM 0 HB3 MET A 12 12.856 -2.026 -9.735 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.376 -4.387 -9.255 1.00 0.00 H new ATOM 0 HG3 MET A 12 13.047 -4.892 -9.105 1.00 0.00 H new ATOM 0 HE1 MET A 12 14.144 -3.663 -5.819 1.00 0.00 H new ATOM 0 HE2 MET A 12 13.787 -5.115 -6.784 1.00 0.00 H new ATOM 0 HE3 MET A 12 14.791 -3.815 -7.470 1.00 0.00 H new ATOM 141 N ASP A 13 9.427 -2.603 -11.649 1.00 0.00 N ATOM 142 CA ASP A 13 8.108 -2.093 -11.316 1.00 0.00 C ATOM 143 C ASP A 13 7.283 -3.208 -10.669 1.00 0.00 C ATOM 144 O ASP A 13 6.779 -3.048 -9.559 1.00 0.00 O ATOM 145 CB ASP A 13 7.366 -1.624 -12.569 1.00 0.00 C ATOM 146 CG ASP A 13 7.903 -0.334 -13.193 1.00 0.00 C ATOM 147 OD1 ASP A 13 8.677 0.355 -12.494 1.00 0.00 O ATOM 148 OD2 ASP A 13 7.527 -0.066 -14.354 1.00 0.00 O ATOM 0 H ASP A 13 9.486 -3.079 -12.549 1.00 0.00 H new ATOM 0 HA ASP A 13 8.234 -1.251 -10.635 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.408 -2.416 -13.316 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.315 -1.479 -12.318 1.00 0.00 H new ATOM 153 N GLU A 14 7.173 -4.314 -11.391 1.00 0.00 N ATOM 154 CA GLU A 14 6.418 -5.455 -10.901 1.00 0.00 C ATOM 155 C GLU A 14 7.072 -6.021 -9.639 1.00 0.00 C ATOM 156 O GLU A 14 6.438 -6.099 -8.588 1.00 0.00 O ATOM 157 CB GLU A 14 6.288 -6.531 -11.981 1.00 0.00 C ATOM 158 CG GLU A 14 5.069 -6.272 -12.869 1.00 0.00 C ATOM 159 CD GLU A 14 4.326 -7.574 -13.173 1.00 0.00 C ATOM 160 OE1 GLU A 14 4.931 -8.426 -13.860 1.00 0.00 O ATOM 161 OE2 GLU A 14 3.170 -7.689 -12.712 1.00 0.00 O ATOM 0 H GLU A 14 7.594 -4.444 -12.311 1.00 0.00 H new ATOM 0 HA GLU A 14 5.413 -5.119 -10.647 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.190 -6.549 -12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.200 -7.512 -11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.396 -5.572 -12.374 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.386 -5.804 -13.801 1.00 0.00 H new ATOM 168 N LEU A 15 8.333 -6.402 -9.784 1.00 0.00 N ATOM 169 CA LEU A 15 9.080 -6.959 -8.669 1.00 0.00 C ATOM 170 C LEU A 15 8.748 -6.176 -7.397 1.00 0.00 C ATOM 171 O LEU A 15 8.191 -6.731 -6.451 1.00 0.00 O ATOM 172 CB LEU A 15 10.574 -7.001 -8.993 1.00 0.00 C ATOM 173 CG LEU A 15 11.235 -8.380 -8.937 1.00 0.00 C ATOM 174 CD1 LEU A 15 10.597 -9.335 -9.948 1.00 0.00 C ATOM 175 CD2 LEU A 15 12.749 -8.271 -9.127 1.00 0.00 C ATOM 0 H LEU A 15 8.856 -6.336 -10.657 1.00 0.00 H new ATOM 0 HA LEU A 15 8.787 -7.994 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.720 -6.590 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.095 -6.342 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 15 11.065 -8.800 -7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.085 -10.308 -9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.536 -9.447 -9.724 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.715 -8.932 -10.954 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.194 -9.265 -9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.963 -7.821 -10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.171 -7.649 -8.337 1.00 0.00 H new ATOM 187 N ARG A 16 9.103 -4.900 -7.416 1.00 0.00 N ATOM 188 CA ARG A 16 8.849 -4.036 -6.276 1.00 0.00 C ATOM 189 C ARG A 16 7.487 -4.357 -5.659 1.00 0.00 C ATOM 190 O ARG A 16 7.400 -4.700 -4.481 1.00 0.00 O ATOM 191 CB ARG A 16 8.883 -2.562 -6.684 1.00 0.00 C ATOM 192 CG ARG A 16 9.074 -1.659 -5.464 1.00 0.00 C ATOM 193 CD ARG A 16 7.755 -1.469 -4.711 1.00 0.00 C ATOM 194 NE ARG A 16 7.412 -0.030 -4.647 1.00 0.00 N ATOM 195 CZ ARG A 16 6.749 0.627 -5.608 1.00 0.00 C ATOM 196 NH1 ARG A 16 6.355 -0.020 -6.713 1.00 0.00 N ATOM 197 NH2 ARG A 16 6.481 1.932 -5.465 1.00 0.00 N ATOM 0 H ARG A 16 9.564 -4.444 -8.203 1.00 0.00 H new ATOM 0 HA ARG A 16 9.635 -4.216 -5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.693 -2.396 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.955 -2.300 -7.193 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.818 -2.095 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.459 -0.690 -5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.958 -2.019 -5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.840 -1.876 -3.704 1.00 0.00 H new ATOM 0 HE ARG A 16 7.698 0.494 -3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.560 -1.013 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.850 0.481 -7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.782 2.425 -4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.976 2.432 -6.197 1.00 0.00 H new ATOM 211 N HIS A 17 6.456 -4.233 -6.483 1.00 0.00 N ATOM 212 CA HIS A 17 5.102 -4.506 -6.033 1.00 0.00 C ATOM 213 C HIS A 17 5.080 -5.807 -5.229 1.00 0.00 C ATOM 214 O HIS A 17 4.817 -5.795 -4.028 1.00 0.00 O ATOM 215 CB HIS A 17 4.130 -4.522 -7.215 1.00 0.00 C ATOM 216 CG HIS A 17 3.034 -5.555 -7.095 1.00 0.00 C ATOM 217 ND1 HIS A 17 2.433 -6.142 -8.194 1.00 0.00 N ATOM 218 CD2 HIS A 17 2.439 -6.099 -5.994 1.00 0.00 C ATOM 219 CE1 HIS A 17 1.519 -6.998 -7.764 1.00 0.00 C ATOM 220 NE2 HIS A 17 1.523 -6.970 -6.400 1.00 0.00 N ATOM 0 H HIS A 17 6.532 -3.947 -7.459 1.00 0.00 H new ATOM 0 HA HIS A 17 4.766 -3.707 -5.372 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.676 -3.536 -7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.691 -4.707 -8.131 1.00 0.00 H new ATOM 0 HD1 HIS A 17 2.656 -5.948 -9.170 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.673 -5.861 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.882 -7.611 -8.384 1.00 0.00 H new ATOM 228 N GLN A 18 5.360 -6.900 -5.925 1.00 0.00 N ATOM 229 CA GLN A 18 5.375 -8.207 -5.291 1.00 0.00 C ATOM 230 C GLN A 18 6.126 -8.142 -3.959 1.00 0.00 C ATOM 231 O GLN A 18 5.578 -8.492 -2.915 1.00 0.00 O ATOM 232 CB GLN A 18 5.991 -9.258 -6.217 1.00 0.00 C ATOM 233 CG GLN A 18 5.132 -10.523 -6.258 1.00 0.00 C ATOM 234 CD GLN A 18 5.524 -11.414 -7.439 1.00 0.00 C ATOM 235 OE1 GLN A 18 4.942 -11.363 -8.509 1.00 0.00 O ATOM 236 NE2 GLN A 18 6.542 -12.232 -7.184 1.00 0.00 N ATOM 0 H GLN A 18 5.578 -6.907 -6.921 1.00 0.00 H new ATOM 0 HA GLN A 18 4.346 -8.505 -5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.090 -8.849 -7.222 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.995 -9.507 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.248 -11.076 -5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.080 -10.250 -6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.985 -12.224 -6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.879 -12.867 -7.907 1.00 0.00 H new ATOM 245 N VAL A 19 7.370 -7.692 -4.039 1.00 0.00 N ATOM 246 CA VAL A 19 8.202 -7.577 -2.853 1.00 0.00 C ATOM 247 C VAL A 19 7.408 -6.884 -1.744 1.00 0.00 C ATOM 248 O VAL A 19 7.293 -7.408 -0.637 1.00 0.00 O ATOM 249 CB VAL A 19 9.505 -6.853 -3.197 1.00 0.00 C ATOM 250 CG1 VAL A 19 10.326 -6.575 -1.936 1.00 0.00 C ATOM 251 CG2 VAL A 19 10.321 -7.649 -4.218 1.00 0.00 C ATOM 0 H VAL A 19 7.822 -7.403 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 19 8.481 -8.564 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 19 9.248 -5.895 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.247 -6.060 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.748 -5.950 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.569 -7.517 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.242 -7.113 -4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.564 -8.628 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.739 -7.774 -5.131 1.00 0.00 H new ATOM 261 N MET A 20 6.879 -5.716 -2.080 1.00 0.00 N ATOM 262 CA MET A 20 6.099 -4.946 -1.126 1.00 0.00 C ATOM 263 C MET A 20 5.037 -5.818 -0.455 1.00 0.00 C ATOM 264 O MET A 20 5.102 -6.067 0.748 1.00 0.00 O ATOM 265 CB MET A 20 5.422 -3.778 -1.845 1.00 0.00 C ATOM 266 CG MET A 20 6.198 -2.477 -1.630 1.00 0.00 C ATOM 267 SD MET A 20 5.472 -1.165 -2.599 1.00 0.00 S ATOM 268 CE MET A 20 3.740 -1.528 -2.365 1.00 0.00 C ATOM 0 H MET A 20 6.975 -5.285 -2.999 1.00 0.00 H new ATOM 0 HA MET A 20 6.771 -4.569 -0.355 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.354 -3.993 -2.911 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.402 -3.662 -1.478 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.188 -2.208 -0.574 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.241 -2.615 -1.914 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.146 -0.651 -2.622 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.453 -2.361 -3.007 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.562 -1.794 -1.323 1.00 0.00 H new ATOM 278 N ILE A 21 4.082 -6.258 -1.262 1.00 0.00 N ATOM 279 CA ILE A 21 3.007 -7.098 -0.762 1.00 0.00 C ATOM 280 C ILE A 21 3.578 -8.114 0.228 1.00 0.00 C ATOM 281 O ILE A 21 3.159 -8.164 1.383 1.00 0.00 O ATOM 282 CB ILE A 21 2.240 -7.734 -1.923 1.00 0.00 C ATOM 283 CG1 ILE A 21 1.396 -6.691 -2.659 1.00 0.00 C ATOM 284 CG2 ILE A 21 1.397 -8.916 -1.440 1.00 0.00 C ATOM 285 CD1 ILE A 21 0.638 -7.324 -3.827 1.00 0.00 C ATOM 0 H ILE A 21 4.031 -6.048 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 21 2.277 -6.499 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 21 2.964 -8.125 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.689 -6.236 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.039 -5.892 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.862 -9.350 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.048 -9.670 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.680 -8.571 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.046 -6.561 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.349 -7.757 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.022 -8.106 -3.451 1.00 0.00 H new ATOM 297 N ASN A 22 4.526 -8.900 -0.261 1.00 0.00 N ATOM 298 CA ASN A 22 5.159 -9.913 0.567 1.00 0.00 C ATOM 299 C ASN A 22 5.645 -9.272 1.868 1.00 0.00 C ATOM 300 O ASN A 22 5.405 -9.802 2.952 1.00 0.00 O ATOM 301 CB ASN A 22 6.371 -10.524 -0.140 1.00 0.00 C ATOM 302 CG ASN A 22 6.123 -11.994 -0.482 1.00 0.00 C ATOM 303 OD1 ASN A 22 6.130 -12.867 0.371 1.00 0.00 O ATOM 304 ND2 ASN A 22 5.904 -12.219 -1.775 1.00 0.00 N ATOM 0 H ASN A 22 4.871 -8.856 -1.220 1.00 0.00 H new ATOM 0 HA ASN A 22 4.425 -10.694 0.764 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.584 -9.966 -1.052 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.250 -10.439 0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.728 -13.168 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.912 -11.442 -2.436 1.00 0.00 H new ATOM 311 N GLN A 23 6.318 -8.141 1.718 1.00 0.00 N ATOM 312 CA GLN A 23 6.839 -7.422 2.868 1.00 0.00 C ATOM 313 C GLN A 23 5.706 -7.078 3.837 1.00 0.00 C ATOM 314 O GLN A 23 5.664 -7.590 4.955 1.00 0.00 O ATOM 315 CB GLN A 23 7.590 -6.162 2.433 1.00 0.00 C ATOM 316 CG GLN A 23 9.064 -6.469 2.159 1.00 0.00 C ATOM 317 CD GLN A 23 9.976 -5.524 2.945 1.00 0.00 C ATOM 318 OE1 GLN A 23 10.355 -5.783 4.075 1.00 0.00 O ATOM 319 NE2 GLN A 23 10.305 -4.417 2.285 1.00 0.00 N ATOM 0 H GLN A 23 6.515 -7.705 0.817 1.00 0.00 H new ATOM 0 HA GLN A 23 7.549 -8.068 3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.128 -5.750 1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.512 -5.401 3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.281 -7.501 2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.267 -6.373 1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.952 -4.263 1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.910 -3.723 2.723 1.00 0.00 H new ATOM 328 N PHE A 24 4.817 -6.212 3.373 1.00 0.00 N ATOM 329 CA PHE A 24 3.687 -5.794 4.185 1.00 0.00 C ATOM 330 C PHE A 24 3.055 -6.988 4.903 1.00 0.00 C ATOM 331 O PHE A 24 2.814 -6.937 6.108 1.00 0.00 O ATOM 332 CB PHE A 24 2.656 -5.181 3.235 1.00 0.00 C ATOM 333 CG PHE A 24 1.596 -4.326 3.933 1.00 0.00 C ATOM 334 CD1 PHE A 24 0.645 -4.918 4.704 1.00 0.00 C ATOM 335 CD2 PHE A 24 1.606 -2.975 3.783 1.00 0.00 C ATOM 336 CE1 PHE A 24 -0.338 -4.125 5.352 1.00 0.00 C ATOM 337 CE2 PHE A 24 0.623 -2.181 4.431 1.00 0.00 C ATOM 338 CZ PHE A 24 -0.329 -2.773 5.202 1.00 0.00 C ATOM 0 H PHE A 24 4.856 -5.789 2.446 1.00 0.00 H new ATOM 0 HA PHE A 24 4.017 -5.083 4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.175 -4.568 2.499 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.159 -5.983 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.638 -5.991 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.362 -2.505 3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.093 -4.595 5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.631 -1.108 4.312 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.077 -2.170 5.695 1.00 0.00 H new ATOM 348 N VAL A 25 2.804 -8.036 4.132 1.00 0.00 N ATOM 349 CA VAL A 25 2.205 -9.242 4.679 1.00 0.00 C ATOM 350 C VAL A 25 3.123 -9.817 5.759 1.00 0.00 C ATOM 351 O VAL A 25 2.649 -10.361 6.755 1.00 0.00 O ATOM 352 CB VAL A 25 1.909 -10.236 3.554 1.00 0.00 C ATOM 353 CG1 VAL A 25 1.250 -11.503 4.101 1.00 0.00 C ATOM 354 CG2 VAL A 25 1.045 -9.593 2.467 1.00 0.00 C ATOM 0 H VAL A 25 3.005 -8.075 3.133 1.00 0.00 H new ATOM 0 HA VAL A 25 1.250 -9.014 5.152 1.00 0.00 H new ATOM 0 HB VAL A 25 2.858 -10.522 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.050 -12.192 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.917 -11.978 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.313 -11.242 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.849 -10.321 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.100 -9.264 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.569 -8.735 2.046 1.00 0.00 H new ATOM 364 N LEU A 26 4.419 -9.677 5.525 1.00 0.00 N ATOM 365 CA LEU A 26 5.408 -10.177 6.466 1.00 0.00 C ATOM 366 C LEU A 26 5.451 -9.258 7.689 1.00 0.00 C ATOM 367 O LEU A 26 5.473 -9.730 8.824 1.00 0.00 O ATOM 368 CB LEU A 26 6.763 -10.350 5.778 1.00 0.00 C ATOM 369 CG LEU A 26 7.048 -11.736 5.198 1.00 0.00 C ATOM 370 CD1 LEU A 26 8.370 -11.747 4.428 1.00 0.00 C ATOM 371 CD2 LEU A 26 7.013 -12.806 6.291 1.00 0.00 C ATOM 0 H LEU A 26 4.808 -9.225 4.698 1.00 0.00 H new ATOM 0 HA LEU A 26 5.129 -11.169 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.835 -9.619 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.546 -10.111 6.497 1.00 0.00 H new ATOM 0 HG LEU A 26 6.258 -11.977 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.549 -12.744 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.320 -11.029 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.184 -11.475 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.219 -13.782 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.768 -12.581 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.028 -12.818 6.757 1.00 0.00 H new ATOM 383 N ALA A 27 5.463 -7.961 7.415 1.00 0.00 N ATOM 384 CA ALA A 27 5.504 -6.972 8.478 1.00 0.00 C ATOM 385 C ALA A 27 4.358 -7.235 9.457 1.00 0.00 C ATOM 386 O ALA A 27 4.563 -7.246 10.670 1.00 0.00 O ATOM 387 CB ALA A 27 5.443 -5.568 7.872 1.00 0.00 C ATOM 0 H ALA A 27 5.445 -7.573 6.472 1.00 0.00 H new ATOM 0 HA ALA A 27 6.438 -7.046 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.474 -4.826 8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.294 -5.421 7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.518 -5.455 7.307 1.00 0.00 H new ATOM 393 N ALA A 28 3.176 -7.440 8.895 1.00 0.00 N ATOM 394 CA ALA A 28 1.998 -7.702 9.703 1.00 0.00 C ATOM 395 C ALA A 28 1.856 -9.210 9.918 1.00 0.00 C ATOM 396 O ALA A 28 2.162 -9.718 10.995 1.00 0.00 O ATOM 397 CB ALA A 28 0.768 -7.091 9.027 1.00 0.00 C ATOM 0 H ALA A 28 3.009 -7.430 7.889 1.00 0.00 H new ATOM 0 HA ALA A 28 2.096 -7.237 10.684 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.116 -7.288 9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.906 -6.015 8.925 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.637 -7.535 8.040 1.00 0.00 H new ATOM 403 N GLY A 29 1.393 -9.883 8.875 1.00 0.00 N ATOM 404 CA GLY A 29 1.208 -11.323 8.936 1.00 0.00 C ATOM 405 C GLY A 29 -0.242 -11.702 8.629 1.00 0.00 C ATOM 406 O GLY A 29 -0.809 -12.580 9.279 1.00 0.00 O ATOM 0 H GLY A 29 1.140 -9.458 7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.874 -11.809 8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.481 -11.687 9.927 1.00 0.00 H new ATOM 410 N CYS A 30 -0.802 -11.023 7.639 1.00 0.00 N ATOM 411 CA CYS A 30 -2.175 -11.278 7.239 1.00 0.00 C ATOM 412 C CYS A 30 -2.159 -11.930 5.855 1.00 0.00 C ATOM 413 O CYS A 30 -1.094 -12.247 5.327 1.00 0.00 O ATOM 414 CB CYS A 30 -3.016 -10.000 7.257 1.00 0.00 C ATOM 415 SG CYS A 30 -3.965 -9.898 8.819 1.00 0.00 S ATOM 0 H CYS A 30 -0.329 -10.296 7.102 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.645 -11.954 7.953 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.370 -9.128 7.157 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.698 -9.991 6.406 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.136 -8.650 9.142 1.00 0.00 H new ATOM 421 N ALA A 31 -3.351 -12.111 5.307 1.00 0.00 N ATOM 422 CA ALA A 31 -3.488 -12.720 3.995 1.00 0.00 C ATOM 423 C ALA A 31 -2.674 -11.917 2.978 1.00 0.00 C ATOM 424 O ALA A 31 -2.708 -10.688 2.981 1.00 0.00 O ATOM 425 CB ALA A 31 -4.969 -12.802 3.621 1.00 0.00 C ATOM 0 H ALA A 31 -4.232 -11.846 5.748 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.097 -13.738 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.071 -13.259 2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.497 -13.406 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.395 -11.799 3.601 1.00 0.00 H new ATOM 431 N ALA A 32 -1.960 -12.645 2.132 1.00 0.00 N ATOM 432 CA ALA A 32 -1.139 -12.016 1.111 1.00 0.00 C ATOM 433 C ALA A 32 -2.023 -11.147 0.215 1.00 0.00 C ATOM 434 O ALA A 32 -1.638 -10.039 -0.156 1.00 0.00 O ATOM 435 CB ALA A 32 -0.390 -13.093 0.323 1.00 0.00 C ATOM 0 H ALA A 32 -1.933 -13.665 2.133 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.392 -11.366 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.226 -12.621 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.246 -13.663 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.108 -13.763 -0.150 1.00 0.00 H new ATOM 441 N ASP A 33 -3.192 -11.681 -0.106 1.00 0.00 N ATOM 442 CA ASP A 33 -4.134 -10.968 -0.951 1.00 0.00 C ATOM 443 C ASP A 33 -4.400 -9.584 -0.356 1.00 0.00 C ATOM 444 O ASP A 33 -4.279 -8.573 -1.047 1.00 0.00 O ATOM 445 CB ASP A 33 -5.469 -11.710 -1.037 1.00 0.00 C ATOM 446 CG ASP A 33 -6.272 -11.452 -2.314 1.00 0.00 C ATOM 447 OD1 ASP A 33 -5.842 -11.967 -3.368 1.00 0.00 O ATOM 448 OD2 ASP A 33 -7.298 -10.746 -2.206 1.00 0.00 O ATOM 0 H ASP A 33 -3.508 -12.600 0.204 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.700 -10.890 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.278 -12.780 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.080 -11.429 -0.179 1.00 0.00 H new ATOM 453 N GLN A 34 -4.758 -9.582 0.920 1.00 0.00 N ATOM 454 CA GLN A 34 -5.042 -8.339 1.616 1.00 0.00 C ATOM 455 C GLN A 34 -4.053 -7.253 1.189 1.00 0.00 C ATOM 456 O GLN A 34 -4.457 -6.176 0.755 1.00 0.00 O ATOM 457 CB GLN A 34 -5.014 -8.541 3.132 1.00 0.00 C ATOM 458 CG GLN A 34 -6.175 -9.426 3.589 1.00 0.00 C ATOM 459 CD GLN A 34 -7.506 -8.675 3.497 1.00 0.00 C ATOM 460 OE1 GLN A 34 -8.108 -8.554 2.443 1.00 0.00 O ATOM 461 NE2 GLN A 34 -7.929 -8.180 4.656 1.00 0.00 N ATOM 0 H GLN A 34 -4.858 -10.422 1.490 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.047 -8.015 1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.068 -8.997 3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.070 -7.574 3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.217 -10.324 2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.007 -9.751 4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.376 -8.318 5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.807 -7.662 4.700 1.00 0.00 H new ATOM 470 N ALA A 35 -2.775 -7.575 1.326 1.00 0.00 N ATOM 471 CA ALA A 35 -1.724 -6.641 0.959 1.00 0.00 C ATOM 472 C ALA A 35 -2.109 -5.931 -0.340 1.00 0.00 C ATOM 473 O ALA A 35 -2.325 -4.720 -0.350 1.00 0.00 O ATOM 474 CB ALA A 35 -0.394 -7.387 0.844 1.00 0.00 C ATOM 0 H ALA A 35 -2.444 -8.470 1.686 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.604 -5.878 1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.394 -6.686 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.151 -7.848 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.475 -8.160 0.080 1.00 0.00 H new ATOM 480 N LYS A 36 -2.183 -6.715 -1.406 1.00 0.00 N ATOM 481 CA LYS A 36 -2.539 -6.177 -2.708 1.00 0.00 C ATOM 482 C LYS A 36 -3.650 -5.139 -2.540 1.00 0.00 C ATOM 483 O LYS A 36 -3.437 -3.952 -2.782 1.00 0.00 O ATOM 484 CB LYS A 36 -2.894 -7.307 -3.676 1.00 0.00 C ATOM 485 CG LYS A 36 -2.834 -6.826 -5.127 1.00 0.00 C ATOM 486 CD LYS A 36 -2.962 -7.999 -6.100 1.00 0.00 C ATOM 487 CE LYS A 36 -2.133 -7.757 -7.363 1.00 0.00 C ATOM 488 NZ LYS A 36 -1.849 -9.037 -8.050 1.00 0.00 N ATOM 0 H LYS A 36 -2.002 -7.719 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.687 -5.663 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.205 -8.140 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.894 -7.680 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.634 -6.109 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.893 -6.305 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.631 -8.917 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.009 -8.140 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.670 -7.088 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.198 -7.262 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.286 -8.855 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.317 -9.663 -7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.744 -9.494 -8.316 1.00 0.00 H new ATOM 502 N GLN A 37 -4.811 -5.624 -2.126 1.00 0.00 N ATOM 503 CA GLN A 37 -5.956 -4.753 -1.923 1.00 0.00 C ATOM 504 C GLN A 37 -5.562 -3.550 -1.063 1.00 0.00 C ATOM 505 O GLN A 37 -5.522 -2.421 -1.550 1.00 0.00 O ATOM 506 CB GLN A 37 -7.123 -5.518 -1.295 1.00 0.00 C ATOM 507 CG GLN A 37 -7.304 -6.884 -1.959 1.00 0.00 C ATOM 508 CD GLN A 37 -8.762 -7.106 -2.368 1.00 0.00 C ATOM 509 OE1 GLN A 37 -9.542 -7.729 -1.666 1.00 0.00 O ATOM 510 NE2 GLN A 37 -9.084 -6.564 -3.538 1.00 0.00 N ATOM 0 H GLN A 37 -4.984 -6.609 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.286 -4.387 -2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.944 -5.649 -0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.040 -4.937 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.662 -6.954 -2.837 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.991 -7.671 -1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.382 -6.055 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.033 -6.657 -3.899 1.00 0.00 H new ATOM 519 N LEU A 38 -5.283 -3.833 0.201 1.00 0.00 N ATOM 520 CA LEU A 38 -4.893 -2.789 1.133 1.00 0.00 C ATOM 521 C LEU A 38 -3.964 -1.801 0.426 1.00 0.00 C ATOM 522 O LEU A 38 -4.311 -0.634 0.250 1.00 0.00 O ATOM 523 CB LEU A 38 -4.292 -3.400 2.401 1.00 0.00 C ATOM 524 CG LEU A 38 -5.232 -3.509 3.603 1.00 0.00 C ATOM 525 CD1 LEU A 38 -6.465 -4.347 3.261 1.00 0.00 C ATOM 526 CD2 LEU A 38 -4.493 -4.051 4.829 1.00 0.00 C ATOM 0 H LEU A 38 -5.319 -4.770 0.601 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.766 -2.226 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.924 -4.398 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.428 -2.804 2.694 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.583 -2.508 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.116 -4.408 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.005 -3.881 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.154 -5.350 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.184 -4.119 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.095 -5.041 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.673 -3.380 5.086 1.00 0.00 H new ATOM 538 N LEU A 39 -2.801 -2.304 0.040 1.00 0.00 N ATOM 539 CA LEU A 39 -1.819 -1.480 -0.644 1.00 0.00 C ATOM 540 C LEU A 39 -2.520 -0.641 -1.714 1.00 0.00 C ATOM 541 O LEU A 39 -2.580 0.583 -1.608 1.00 0.00 O ATOM 542 CB LEU A 39 -0.680 -2.344 -1.188 1.00 0.00 C ATOM 543 CG LEU A 39 0.483 -2.603 -0.229 1.00 0.00 C ATOM 544 CD1 LEU A 39 1.404 -3.700 -0.767 1.00 0.00 C ATOM 545 CD2 LEU A 39 1.245 -1.311 0.071 1.00 0.00 C ATOM 0 H LEU A 39 -2.516 -3.272 0.188 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.354 -0.783 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.094 -3.305 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.286 -1.867 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 39 0.073 -2.961 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.222 -3.864 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.838 -4.624 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.809 -3.395 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.067 -1.524 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.643 -0.899 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.570 -0.588 0.529 1.00 0.00 H new ATOM 557 N GLN A 40 -3.033 -1.333 -2.721 1.00 0.00 N ATOM 558 CA GLN A 40 -3.728 -0.667 -3.809 1.00 0.00 C ATOM 559 C GLN A 40 -4.701 0.377 -3.258 1.00 0.00 C ATOM 560 O GLN A 40 -4.589 1.562 -3.571 1.00 0.00 O ATOM 561 CB GLN A 40 -4.454 -1.679 -4.697 1.00 0.00 C ATOM 562 CG GLN A 40 -4.177 -1.410 -6.177 1.00 0.00 C ATOM 563 CD GLN A 40 -5.355 -1.855 -7.046 1.00 0.00 C ATOM 564 OE1 GLN A 40 -5.956 -2.896 -6.836 1.00 0.00 O ATOM 565 NE2 GLN A 40 -5.650 -1.012 -8.031 1.00 0.00 N ATOM 0 H GLN A 40 -2.981 -2.348 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.989 -0.156 -4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.133 -2.689 -4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.527 -1.629 -4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.990 -0.347 -6.328 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.274 -1.939 -6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.106 -0.157 -8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.420 -1.220 -8.667 1.00 0.00 H new ATOM 574 N ALA A 41 -5.634 -0.100 -2.447 1.00 0.00 N ATOM 575 CA ALA A 41 -6.626 0.777 -1.850 1.00 0.00 C ATOM 576 C ALA A 41 -5.918 1.930 -1.135 1.00 0.00 C ATOM 577 O ALA A 41 -6.517 2.975 -0.891 1.00 0.00 O ATOM 578 CB ALA A 41 -7.521 -0.031 -0.908 1.00 0.00 C ATOM 0 H ALA A 41 -5.724 -1.083 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.267 1.210 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.265 0.627 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.024 -0.818 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.912 -0.478 -0.122 1.00 0.00 H new ATOM 584 N ALA A 42 -4.652 1.699 -0.821 1.00 0.00 N ATOM 585 CA ALA A 42 -3.855 2.705 -0.139 1.00 0.00 C ATOM 586 C ALA A 42 -2.859 3.316 -1.127 1.00 0.00 C ATOM 587 O ALA A 42 -1.789 3.776 -0.731 1.00 0.00 O ATOM 588 CB ALA A 42 -3.163 2.075 1.071 1.00 0.00 C ATOM 0 H ALA A 42 -4.158 0.830 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.489 3.510 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.565 2.830 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.914 1.682 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.516 1.264 0.738 1.00 0.00 H new ATOM 594 N HIS A 43 -3.247 3.301 -2.394 1.00 0.00 N ATOM 595 CA HIS A 43 -2.401 3.848 -3.441 1.00 0.00 C ATOM 596 C HIS A 43 -1.012 3.212 -3.364 1.00 0.00 C ATOM 597 O HIS A 43 -0.033 3.791 -3.832 1.00 0.00 O ATOM 598 CB HIS A 43 -2.359 5.376 -3.363 1.00 0.00 C ATOM 599 CG HIS A 43 -3.484 5.981 -2.559 1.00 0.00 C ATOM 600 ND1 HIS A 43 -3.468 6.044 -1.177 1.00 0.00 N ATOM 601 CD2 HIS A 43 -4.659 6.549 -2.957 1.00 0.00 C ATOM 602 CE1 HIS A 43 -4.588 6.626 -0.771 1.00 0.00 C ATOM 603 NE2 HIS A 43 -5.325 6.937 -1.876 1.00 0.00 N ATOM 0 H HIS A 43 -4.135 2.919 -2.719 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.820 3.603 -4.417 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.408 5.681 -2.925 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.389 5.782 -4.374 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -2.721 5.701 -0.573 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.991 6.664 -3.978 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.868 6.820 0.254 1.00 0.00 H new ATOM 611 N TRP A 44 -0.971 2.028 -2.771 1.00 0.00 N ATOM 612 CA TRP A 44 0.282 1.307 -2.627 1.00 0.00 C ATOM 613 C TRP A 44 1.152 2.065 -1.622 1.00 0.00 C ATOM 614 O TRP A 44 2.379 2.008 -1.690 1.00 0.00 O ATOM 615 CB TRP A 44 0.964 1.115 -3.983 1.00 0.00 C ATOM 616 CG TRP A 44 0.138 0.310 -4.987 1.00 0.00 C ATOM 617 CD1 TRP A 44 -0.874 0.738 -5.755 1.00 0.00 C ATOM 618 CD2 TRP A 44 0.294 -1.090 -5.303 1.00 0.00 C ATOM 619 NE1 TRP A 44 -1.379 -0.279 -6.540 1.00 0.00 N ATOM 620 CE2 TRP A 44 -0.646 -1.426 -6.256 1.00 0.00 C ATOM 621 CE3 TRP A 44 1.199 -2.041 -4.800 1.00 0.00 C ATOM 622 CZ2 TRP A 44 -0.772 -2.715 -6.788 1.00 0.00 C ATOM 623 CZ3 TRP A 44 1.061 -3.324 -5.341 1.00 0.00 C ATOM 624 CH2 TRP A 44 0.120 -3.679 -6.301 1.00 0.00 C ATOM 0 H TRP A 44 -1.785 1.550 -2.385 1.00 0.00 H new ATOM 0 HA TRP A 44 0.106 0.301 -2.245 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.182 2.094 -4.410 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.920 0.614 -3.830 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.247 1.751 -5.759 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.148 -0.203 -7.206 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.942 -1.800 -4.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.516 -2.953 -7.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.733 -4.093 -4.988 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.077 -4.693 -6.670 1.00 0.00 H new ATOM 635 N GLN A 45 0.482 2.759 -0.713 1.00 0.00 N ATOM 636 CA GLN A 45 1.178 3.528 0.304 1.00 0.00 C ATOM 637 C GLN A 45 1.449 2.659 1.534 1.00 0.00 C ATOM 638 O GLN A 45 0.781 2.801 2.557 1.00 0.00 O ATOM 639 CB GLN A 45 0.387 4.781 0.681 1.00 0.00 C ATOM 640 CG GLN A 45 0.300 5.751 -0.499 1.00 0.00 C ATOM 641 CD GLN A 45 1.669 5.936 -1.158 1.00 0.00 C ATOM 642 OE1 GLN A 45 1.947 5.030 -2.091 1.00 0.00 O flip ATOM 643 NE2 GLN A 45 2.422 6.842 -0.840 1.00 0.00 N flip ATOM 0 H GLN A 45 -0.536 2.804 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 45 2.135 3.852 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.617 4.499 1.000 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.863 5.275 1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.413 5.374 -1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.076 6.715 -0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.146 7.504 -0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.328 6.937 -1.299 1.00 0.00 H new ATOM 652 N PHE A 46 2.429 1.779 1.393 1.00 0.00 N ATOM 653 CA PHE A 46 2.796 0.888 2.480 1.00 0.00 C ATOM 654 C PHE A 46 2.625 1.576 3.836 1.00 0.00 C ATOM 655 O PHE A 46 1.808 1.153 4.652 1.00 0.00 O ATOM 656 CB PHE A 46 4.271 0.529 2.287 1.00 0.00 C ATOM 657 CG PHE A 46 4.693 -0.767 2.980 1.00 0.00 C ATOM 658 CD1 PHE A 46 4.449 -0.939 4.307 1.00 0.00 C ATOM 659 CD2 PHE A 46 5.312 -1.748 2.270 1.00 0.00 C ATOM 660 CE1 PHE A 46 4.840 -2.143 4.951 1.00 0.00 C ATOM 661 CE2 PHE A 46 5.703 -2.952 2.914 1.00 0.00 C ATOM 662 CZ PHE A 46 5.459 -3.123 4.241 1.00 0.00 C ATOM 0 H PHE A 46 2.980 1.664 0.542 1.00 0.00 H new ATOM 0 HA PHE A 46 2.157 0.005 2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.476 0.442 1.220 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.885 1.347 2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.958 -0.160 4.871 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.506 -1.611 1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.646 -2.280 6.005 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.194 -3.731 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.757 -4.038 4.731 1.00 0.00 H new ATOM 672 N GLU A 47 3.408 2.626 4.034 1.00 0.00 N ATOM 673 CA GLU A 47 3.353 3.377 5.276 1.00 0.00 C ATOM 674 C GLU A 47 1.901 3.562 5.721 1.00 0.00 C ATOM 675 O GLU A 47 1.492 3.034 6.754 1.00 0.00 O ATOM 676 CB GLU A 47 4.058 4.727 5.132 1.00 0.00 C ATOM 677 CG GLU A 47 5.549 4.604 5.454 1.00 0.00 C ATOM 678 CD GLU A 47 5.778 4.512 6.964 1.00 0.00 C ATOM 679 OE1 GLU A 47 4.918 3.898 7.632 1.00 0.00 O ATOM 680 OE2 GLU A 47 6.808 5.057 7.417 1.00 0.00 O ATOM 0 H GLU A 47 4.084 2.974 3.355 1.00 0.00 H new ATOM 0 HA GLU A 47 3.878 2.810 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.931 5.101 4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.597 5.455 5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.958 3.719 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.084 5.465 5.053 1.00 0.00 H new ATOM 687 N THR A 48 1.161 4.313 4.919 1.00 0.00 N ATOM 688 CA THR A 48 -0.237 4.574 5.217 1.00 0.00 C ATOM 689 C THR A 48 -1.002 3.259 5.383 1.00 0.00 C ATOM 690 O THR A 48 -1.631 3.029 6.414 1.00 0.00 O ATOM 691 CB THR A 48 -0.798 5.467 4.108 1.00 0.00 C ATOM 692 OG1 THR A 48 -0.216 6.743 4.362 1.00 0.00 O ATOM 693 CG2 THR A 48 -2.302 5.708 4.255 1.00 0.00 C ATOM 0 H THR A 48 1.503 4.749 4.063 1.00 0.00 H new ATOM 0 HA THR A 48 -0.347 5.100 6.165 1.00 0.00 H new ATOM 0 HB THR A 48 -0.596 5.012 3.138 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.525 7.384 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.649 6.347 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.829 4.754 4.217 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.501 6.194 5.210 1.00 0.00 H new ATOM 701 N ALA A 49 -0.922 2.431 4.351 1.00 0.00 N ATOM 702 CA ALA A 49 -1.598 1.145 4.370 1.00 0.00 C ATOM 703 C ALA A 49 -1.383 0.481 5.731 1.00 0.00 C ATOM 704 O ALA A 49 -2.343 0.203 6.449 1.00 0.00 O ATOM 705 CB ALA A 49 -1.088 0.283 3.213 1.00 0.00 C ATOM 0 H ALA A 49 -0.400 2.626 3.497 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.672 1.273 4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.595 -0.682 3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.291 0.786 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.014 0.130 3.319 1.00 0.00 H new ATOM 711 N LEU A 50 -0.118 0.245 6.046 1.00 0.00 N ATOM 712 CA LEU A 50 0.235 -0.382 7.308 1.00 0.00 C ATOM 713 C LEU A 50 -0.358 0.432 8.460 1.00 0.00 C ATOM 714 O LEU A 50 -1.176 -0.076 9.227 1.00 0.00 O ATOM 715 CB LEU A 50 1.750 -0.573 7.407 1.00 0.00 C ATOM 716 CG LEU A 50 2.222 -1.774 8.228 1.00 0.00 C ATOM 717 CD1 LEU A 50 1.801 -3.089 7.569 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.732 -1.712 8.471 1.00 0.00 C ATOM 0 H LEU A 50 0.676 0.477 5.449 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.194 -1.382 7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.151 -0.668 6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.183 0.330 7.839 1.00 0.00 H new ATOM 0 HG LEU A 50 1.736 -1.733 9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.149 -3.927 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.714 -3.125 7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.239 -3.153 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.042 -2.577 9.057 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.255 -1.715 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.976 -0.799 9.015 1.00 0.00 H new ATOM 730 N SER A 51 0.076 1.680 8.546 1.00 0.00 N ATOM 731 CA SER A 51 -0.402 2.569 9.591 1.00 0.00 C ATOM 732 C SER A 51 -1.911 2.399 9.773 1.00 0.00 C ATOM 733 O SER A 51 -2.392 2.250 10.896 1.00 0.00 O ATOM 734 CB SER A 51 -0.067 4.027 9.271 1.00 0.00 C ATOM 735 OG SER A 51 0.223 4.779 10.446 1.00 0.00 O ATOM 0 H SER A 51 0.754 2.097 7.909 1.00 0.00 H new ATOM 0 HA SER A 51 0.102 2.305 10.521 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.789 4.063 8.597 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.905 4.485 8.746 1.00 0.00 H new ATOM 0 HG SER A 51 0.433 5.704 10.199 1.00 0.00 H new ATOM 741 N THR A 52 -2.617 2.426 8.652 1.00 0.00 N ATOM 742 CA THR A 52 -4.062 2.277 8.674 1.00 0.00 C ATOM 743 C THR A 52 -4.446 0.868 9.132 1.00 0.00 C ATOM 744 O THR A 52 -5.004 0.694 10.214 1.00 0.00 O ATOM 745 CB THR A 52 -4.595 2.630 7.284 1.00 0.00 C ATOM 746 OG1 THR A 52 -4.394 4.037 7.182 1.00 0.00 O ATOM 747 CG2 THR A 52 -6.112 2.462 7.178 1.00 0.00 C ATOM 0 H THR A 52 -2.215 2.549 7.723 1.00 0.00 H new ATOM 0 HA THR A 52 -4.518 2.955 9.395 1.00 0.00 H new ATOM 0 HB THR A 52 -4.107 2.002 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.465 4.217 6.926 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.438 2.725 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.379 1.426 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.602 3.115 7.901 1.00 0.00 H new ATOM 755 N PHE A 53 -4.132 -0.101 8.284 1.00 0.00 N ATOM 756 CA PHE A 53 -4.437 -1.488 8.588 1.00 0.00 C ATOM 757 C PHE A 53 -4.217 -1.786 10.073 1.00 0.00 C ATOM 758 O PHE A 53 -5.058 -2.414 10.715 1.00 0.00 O ATOM 759 CB PHE A 53 -3.479 -2.348 7.761 1.00 0.00 C ATOM 760 CG PHE A 53 -3.293 -3.768 8.301 1.00 0.00 C ATOM 761 CD1 PHE A 53 -4.285 -4.687 8.154 1.00 0.00 C ATOM 762 CD2 PHE A 53 -2.136 -4.110 8.929 1.00 0.00 C ATOM 763 CE1 PHE A 53 -4.112 -6.004 8.655 1.00 0.00 C ATOM 764 CE2 PHE A 53 -1.964 -5.428 9.430 1.00 0.00 C ATOM 765 CZ PHE A 53 -2.956 -6.347 9.282 1.00 0.00 C ATOM 0 H PHE A 53 -3.670 0.048 7.387 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.480 -1.699 8.353 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.850 -2.405 6.738 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.507 -1.855 7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.204 -4.415 7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.349 -3.380 9.047 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.899 -6.734 8.538 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.046 -5.701 9.928 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.825 -7.349 9.663 1.00 0.00 H new ATOM 775 N PHE A 54 -3.083 -1.320 10.575 1.00 0.00 N ATOM 776 CA PHE A 54 -2.742 -1.528 11.973 1.00 0.00 C ATOM 777 C PHE A 54 -3.789 -0.897 12.892 1.00 0.00 C ATOM 778 O PHE A 54 -4.208 -1.508 13.874 1.00 0.00 O ATOM 779 CB PHE A 54 -1.394 -0.845 12.210 1.00 0.00 C ATOM 780 CG PHE A 54 -0.206 -1.809 12.245 1.00 0.00 C ATOM 781 CD1 PHE A 54 -0.222 -2.878 13.085 1.00 0.00 C ATOM 782 CD2 PHE A 54 0.866 -1.597 11.435 1.00 0.00 C ATOM 783 CE1 PHE A 54 0.881 -3.773 13.117 1.00 0.00 C ATOM 784 CE2 PHE A 54 1.968 -2.491 11.467 1.00 0.00 C ATOM 785 CZ PHE A 54 1.952 -3.560 12.307 1.00 0.00 C ATOM 0 H PHE A 54 -2.389 -0.799 10.039 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.702 -2.595 12.192 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.228 -0.108 11.424 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.435 -0.300 13.153 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.073 -3.047 13.728 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.879 -0.748 10.767 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.869 -4.622 13.784 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.819 -2.322 10.824 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.790 -4.240 12.331 1.00 0.00 H new ATOM 795 N GLN A 55 -4.183 0.319 12.541 1.00 0.00 N ATOM 796 CA GLN A 55 -5.173 1.040 13.323 1.00 0.00 C ATOM 797 C GLN A 55 -6.579 0.534 12.995 1.00 0.00 C ATOM 798 O GLN A 55 -7.434 1.303 12.561 1.00 0.00 O ATOM 799 CB GLN A 55 -5.065 2.548 13.088 1.00 0.00 C ATOM 800 CG GLN A 55 -3.871 3.136 13.843 1.00 0.00 C ATOM 801 CD GLN A 55 -4.229 4.484 14.471 1.00 0.00 C ATOM 802 OE1 GLN A 55 -5.369 4.756 14.812 1.00 0.00 O ATOM 803 NE2 GLN A 55 -3.196 5.310 14.605 1.00 0.00 N ATOM 0 H GLN A 55 -3.834 0.823 11.726 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.978 0.855 14.379 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.959 2.747 12.022 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.983 3.037 13.414 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.550 2.442 14.620 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.030 3.261 13.161 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.268 5.019 14.299 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.332 6.234 15.014 1.00 0.00 H new ATOM 812 N GLU A 56 -6.775 -0.758 13.216 1.00 0.00 N ATOM 813 CA GLU A 56 -8.062 -1.376 12.950 1.00 0.00 C ATOM 814 C GLU A 56 -8.457 -2.300 14.104 1.00 0.00 C ATOM 815 O GLU A 56 -9.031 -3.365 13.883 1.00 0.00 O ATOM 816 CB GLU A 56 -8.042 -2.136 11.622 1.00 0.00 C ATOM 817 CG GLU A 56 -7.895 -1.174 10.442 1.00 0.00 C ATOM 818 CD GLU A 56 -8.590 -1.725 9.195 1.00 0.00 C ATOM 819 OE1 GLU A 56 -9.820 -1.934 9.277 1.00 0.00 O ATOM 820 OE2 GLU A 56 -7.876 -1.926 8.189 1.00 0.00 O ATOM 0 H GLU A 56 -6.063 -1.394 13.576 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.811 -0.588 12.869 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.218 -2.849 11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.961 -2.711 11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.322 -0.205 10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.838 -1.010 10.231 1.00 0.00 H new ATOM 827 N THR A 57 -8.133 -1.858 15.311 1.00 0.00 N ATOM 828 CA THR A 57 -8.447 -2.631 16.500 1.00 0.00 C ATOM 829 C THR A 57 -9.625 -2.005 17.248 1.00 0.00 C ATOM 830 O THR A 57 -9.496 -1.629 18.413 1.00 0.00 O ATOM 831 CB THR A 57 -7.176 -2.735 17.345 1.00 0.00 C ATOM 832 OG1 THR A 57 -7.548 -3.581 18.429 1.00 0.00 O ATOM 833 CG2 THR A 57 -6.808 -1.410 18.015 1.00 0.00 C ATOM 0 H THR A 57 -7.656 -0.974 15.490 1.00 0.00 H new ATOM 0 HA THR A 57 -8.767 -3.641 16.242 1.00 0.00 H new ATOM 0 HB THR A 57 -6.349 -3.066 16.717 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.276 -3.163 18.935 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.899 -1.539 18.602 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.642 -0.650 17.251 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.621 -1.095 18.669 1.00 0.00 H new ATOM 841 N ASN A 58 -10.746 -1.911 16.550 1.00 0.00 N ATOM 842 CA ASN A 58 -11.946 -1.337 17.134 1.00 0.00 C ATOM 843 C ASN A 58 -12.094 -1.830 18.575 1.00 0.00 C ATOM 844 O ASN A 58 -12.263 -3.025 18.811 1.00 0.00 O ATOM 845 CB ASN A 58 -13.195 -1.763 16.358 1.00 0.00 C ATOM 846 CG ASN A 58 -14.217 -0.626 16.299 1.00 0.00 C ATOM 847 OD1 ASN A 58 -14.484 0.056 17.275 1.00 0.00 O ATOM 848 ND2 ASN A 58 -14.773 -0.461 15.102 1.00 0.00 N ATOM 0 H ASN A 58 -10.849 -2.223 15.584 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.852 -0.252 17.098 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.916 -2.059 15.347 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.643 -2.636 16.833 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.468 0.272 14.959 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.504 -1.067 14.327 1.00 0.00 H new ATOM 855 N ILE A 59 -12.024 -0.885 19.500 1.00 0.00 N ATOM 856 CA ILE A 59 -12.147 -1.208 20.911 1.00 0.00 C ATOM 857 C ILE A 59 -13.585 -0.950 21.365 1.00 0.00 C ATOM 858 O ILE A 59 -14.293 -0.141 20.768 1.00 0.00 O ATOM 859 CB ILE A 59 -11.099 -0.450 21.728 1.00 0.00 C ATOM 860 CG1 ILE A 59 -11.306 1.062 21.618 1.00 0.00 C ATOM 861 CG2 ILE A 59 -9.683 -0.866 21.324 1.00 0.00 C ATOM 862 CD1 ILE A 59 -10.813 1.776 22.879 1.00 0.00 C ATOM 0 H ILE A 59 -11.884 0.105 19.300 1.00 0.00 H new ATOM 0 HA ILE A 59 -11.944 -2.266 21.079 1.00 0.00 H new ATOM 0 HB ILE A 59 -11.226 -0.716 22.777 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -10.772 1.443 20.748 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -12.363 1.278 21.463 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.957 -0.312 21.920 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.555 -1.935 21.496 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.527 -0.648 20.268 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -10.972 2.849 22.775 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -11.366 1.410 23.744 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.750 1.578 23.017 1.00 0.00 H new ATOM 874 N PRO A 60 -13.985 -1.672 22.446 1.00 0.00 N ATOM 875 CA PRO A 60 -15.326 -1.529 22.987 1.00 0.00 C ATOM 876 C PRO A 60 -15.466 -0.220 23.766 1.00 0.00 C ATOM 877 O PRO A 60 -14.481 0.315 24.272 1.00 0.00 O ATOM 878 CB PRO A 60 -15.534 -2.761 23.853 1.00 0.00 C ATOM 879 CG PRO A 60 -14.145 -3.310 24.137 1.00 0.00 C ATOM 880 CD PRO A 60 -13.174 -2.640 23.179 1.00 0.00 C ATOM 0 HA PRO A 60 -16.089 -1.471 22.211 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -16.050 -2.505 24.779 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -16.149 -3.500 23.339 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.860 -3.111 25.170 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -14.127 -4.392 24.004 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -12.362 -2.150 23.716 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.718 -3.366 22.505 1.00 0.00 H new ATOM 888 N ASN A 61 -16.700 0.259 23.840 1.00 0.00 N ATOM 889 CA ASN A 61 -16.982 1.495 24.548 1.00 0.00 C ATOM 890 C ASN A 61 -16.238 2.648 23.871 1.00 0.00 C ATOM 891 O ASN A 61 -15.032 2.565 23.644 1.00 0.00 O ATOM 892 CB ASN A 61 -16.509 1.417 26.002 1.00 0.00 C ATOM 893 CG ASN A 61 -17.639 0.950 26.921 1.00 0.00 C ATOM 894 OD1 ASN A 61 -18.552 0.247 26.519 1.00 0.00 O ATOM 895 ND2 ASN A 61 -17.529 1.379 28.175 1.00 0.00 N ATOM 0 H ASN A 61 -17.516 -0.188 23.421 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.060 1.657 24.527 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.666 0.730 26.078 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -16.153 2.395 26.325 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -18.234 1.122 28.866 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.739 1.965 28.446 1.00 0.00 H new ATOM 902 N SER A 62 -16.988 3.697 23.567 1.00 0.00 N ATOM 903 CA SER A 62 -16.415 4.864 22.920 1.00 0.00 C ATOM 904 C SER A 62 -17.479 5.954 22.768 1.00 0.00 C ATOM 905 O SER A 62 -18.627 5.663 22.436 1.00 0.00 O ATOM 906 CB SER A 62 -15.826 4.504 21.554 1.00 0.00 C ATOM 907 OG SER A 62 -15.080 5.581 20.994 1.00 0.00 O ATOM 0 H SER A 62 -17.988 3.763 23.757 1.00 0.00 H new ATOM 0 HA SER A 62 -15.606 5.239 23.547 1.00 0.00 H new ATOM 0 HB2 SER A 62 -15.182 3.631 21.656 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.631 4.228 20.873 1.00 0.00 H new ATOM 0 HG SER A 62 -14.719 5.311 20.124 1.00 0.00 H new ATOM 913 N HIS A 63 -17.059 7.185 23.019 1.00 0.00 N ATOM 914 CA HIS A 63 -17.961 8.319 22.915 1.00 0.00 C ATOM 915 C HIS A 63 -17.436 9.298 21.863 1.00 0.00 C ATOM 916 O HIS A 63 -16.259 9.259 21.506 1.00 0.00 O ATOM 917 CB HIS A 63 -18.171 8.974 24.282 1.00 0.00 C ATOM 918 CG HIS A 63 -19.612 9.010 24.731 1.00 0.00 C ATOM 919 ND1 HIS A 63 -20.126 8.134 25.671 1.00 0.00 N ATOM 920 CD2 HIS A 63 -20.641 9.824 24.360 1.00 0.00 C ATOM 921 CE1 HIS A 63 -21.408 8.417 25.850 1.00 0.00 C ATOM 922 NE2 HIS A 63 -21.725 9.465 25.036 1.00 0.00 N ATOM 0 H HIS A 63 -16.106 7.422 23.294 1.00 0.00 H new ATOM 0 HA HIS A 63 -18.943 7.978 22.586 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -17.583 8.436 25.025 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -17.786 9.993 24.248 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -20.584 10.625 23.638 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -22.083 7.908 26.522 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -22.644 9.901 24.960 1.00 0.00 H new ATOM 930 N HIS A 64 -18.334 10.153 21.395 1.00 0.00 N ATOM 931 CA HIS A 64 -17.976 11.140 20.391 1.00 0.00 C ATOM 932 C HIS A 64 -19.027 12.251 20.366 1.00 0.00 C ATOM 933 O HIS A 64 -20.220 11.979 20.235 1.00 0.00 O ATOM 934 CB HIS A 64 -17.779 10.479 19.025 1.00 0.00 C ATOM 935 CG HIS A 64 -18.976 9.695 18.544 1.00 0.00 C ATOM 936 ND1 HIS A 64 -19.445 8.567 19.194 1.00 0.00 N ATOM 937 CD2 HIS A 64 -19.795 9.889 17.471 1.00 0.00 C ATOM 938 CE1 HIS A 64 -20.498 8.110 18.533 1.00 0.00 C ATOM 939 NE2 HIS A 64 -20.713 8.931 17.465 1.00 0.00 N ATOM 0 H HIS A 64 -19.309 10.182 21.693 1.00 0.00 H new ATOM 0 HA HIS A 64 -17.021 11.597 20.650 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -17.543 11.249 18.291 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -16.918 9.813 19.076 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -19.711 10.687 16.748 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -21.083 7.241 18.794 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -21.457 8.826 16.775 1.00 0.00 H new ATOM 947 N HIS A 65 -18.547 13.479 20.493 1.00 0.00 N ATOM 948 CA HIS A 65 -19.431 14.633 20.487 1.00 0.00 C ATOM 949 C HIS A 65 -20.242 14.650 19.190 1.00 0.00 C ATOM 950 O HIS A 65 -19.697 14.433 18.109 1.00 0.00 O ATOM 951 CB HIS A 65 -18.640 15.924 20.709 1.00 0.00 C ATOM 952 CG HIS A 65 -18.359 16.230 22.160 1.00 0.00 C ATOM 953 ND1 HIS A 65 -18.165 17.517 22.631 1.00 0.00 N ATOM 954 CD2 HIS A 65 -18.241 15.403 23.239 1.00 0.00 C ATOM 955 CE1 HIS A 65 -17.941 17.456 23.935 1.00 0.00 C ATOM 956 NE2 HIS A 65 -17.988 16.145 24.310 1.00 0.00 N ATOM 0 H HIS A 65 -17.557 13.701 20.601 1.00 0.00 H new ATOM 0 HA HIS A 65 -20.136 14.561 21.315 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -17.693 15.855 20.173 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -19.193 16.756 20.273 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -18.337 14.327 23.224 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -17.754 18.296 24.587 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -17.851 15.793 25.258 1.00 0.00 H new ATOM 964 N HIS A 66 -21.533 14.909 19.341 1.00 0.00 N ATOM 965 CA HIS A 66 -22.425 14.957 18.196 1.00 0.00 C ATOM 966 C HIS A 66 -22.631 16.411 17.766 1.00 0.00 C ATOM 967 O HIS A 66 -23.030 16.677 16.633 1.00 0.00 O ATOM 968 CB HIS A 66 -23.741 14.238 18.501 1.00 0.00 C ATOM 969 CG HIS A 66 -24.805 15.130 19.095 1.00 0.00 C ATOM 970 ND1 HIS A 66 -26.113 15.139 18.644 1.00 0.00 N ATOM 971 CD2 HIS A 66 -24.740 16.041 20.108 1.00 0.00 C ATOM 972 CE1 HIS A 66 -26.796 16.020 19.360 1.00 0.00 C ATOM 973 NE2 HIS A 66 -25.944 16.578 20.267 1.00 0.00 N ATOM 0 H HIS A 66 -21.982 15.088 20.239 1.00 0.00 H new ATOM 0 HA HIS A 66 -21.974 14.426 17.358 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -24.124 13.797 17.581 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -23.543 13.417 19.190 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -23.859 16.284 20.683 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -27.844 16.255 19.245 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -26.191 17.290 20.954 1.00 0.00 H new TER 981 HIS A 66