USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 809 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+ -114:sc= 0.0966 (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 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -170:sc= -1.86 (180deg=-2.03!) USER MOD Single : A 29 MET CE :methyl -140:sc= -3.36 (180deg=-6.77!) USER MOD Single : A 30 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.022) USER MOD Single : A 31 THR OG1 : rot 49:sc= 0.163 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot -24:sc= 0.968 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.446 F(o=-1.2,f=-0.45) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 47 SER OG : rot 150:sc= -2.38 USER MOD Single : A 56 SER OG : rot 55:sc= 0.461 USER MOD Single : A 65 ASN : amide:sc= 0.111 K(o=0.11,f=-2.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -0.0907 K(o=-0.091,f=-0.9) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -168:sc= -1.85 (180deg=-2.57!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.454) USER MOD Single : A 104 HIS : no HE2:sc= 0 K(o=0,f=-1) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.719 21.763 -18.744 1.00 0.00 N ATOM 2 CA GLY A 1 11.864 21.192 -17.717 1.00 0.00 C ATOM 3 C GLY A 1 11.488 19.748 -18.056 1.00 0.00 C ATOM 4 O GLY A 1 11.597 19.329 -19.207 1.00 0.00 O ATOM 0 H1 GLY A 1 13.661 21.951 -18.346 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.804 21.094 -19.536 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.304 22.653 -19.086 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.376 21.222 -16.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.960 21.793 -17.616 1.00 0.00 H new ATOM 8 N SER A 2 11.054 19.028 -17.032 1.00 0.00 N ATOM 9 CA SER A 2 10.662 17.640 -17.207 1.00 0.00 C ATOM 10 C SER A 2 10.231 17.045 -15.865 1.00 0.00 C ATOM 11 O SER A 2 10.918 17.212 -14.858 1.00 0.00 O ATOM 12 CB SER A 2 11.803 16.817 -17.810 1.00 0.00 C ATOM 13 OG SER A 2 11.321 15.777 -18.656 1.00 0.00 O ATOM 0 H SER A 2 10.965 19.380 -16.079 1.00 0.00 H new ATOM 0 HA SER A 2 9.821 17.607 -17.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.461 17.473 -18.380 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.401 16.384 -17.008 1.00 0.00 H new ATOM 0 HG SER A 2 12.079 15.276 -19.023 1.00 0.00 H new ATOM 19 N SER A 3 9.095 16.363 -15.894 1.00 0.00 N ATOM 20 CA SER A 3 8.564 15.743 -14.692 1.00 0.00 C ATOM 21 C SER A 3 7.514 14.694 -15.065 1.00 0.00 C ATOM 22 O SER A 3 6.520 15.011 -15.717 1.00 0.00 O ATOM 23 CB SER A 3 7.959 16.789 -13.754 1.00 0.00 C ATOM 24 OG SER A 3 7.244 16.190 -12.676 1.00 0.00 O ATOM 0 H SER A 3 8.528 16.226 -16.731 1.00 0.00 H new ATOM 0 HA SER A 3 9.385 15.255 -14.167 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.753 17.421 -13.356 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.288 17.437 -14.318 1.00 0.00 H new ATOM 0 HG SER A 3 6.874 16.891 -12.099 1.00 0.00 H new ATOM 30 N GLY A 4 7.770 13.468 -14.635 1.00 0.00 N ATOM 31 CA GLY A 4 6.859 12.371 -14.915 1.00 0.00 C ATOM 32 C GLY A 4 6.906 11.321 -13.803 1.00 0.00 C ATOM 33 O GLY A 4 6.740 11.648 -12.629 1.00 0.00 O ATOM 0 H GLY A 4 8.595 13.209 -14.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.843 12.754 -15.016 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.122 11.910 -15.867 1.00 0.00 H new ATOM 37 N SER A 5 7.132 10.082 -14.212 1.00 0.00 N ATOM 38 CA SER A 5 7.203 8.982 -13.265 1.00 0.00 C ATOM 39 C SER A 5 8.177 7.916 -13.772 1.00 0.00 C ATOM 40 O SER A 5 9.194 7.647 -13.136 1.00 0.00 O ATOM 41 CB SER A 5 5.821 8.369 -13.029 1.00 0.00 C ATOM 42 OG SER A 5 5.498 8.300 -11.642 1.00 0.00 O ATOM 0 H SER A 5 7.268 9.815 -15.187 1.00 0.00 H new ATOM 0 HA SER A 5 7.565 9.372 -12.314 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.068 8.962 -13.548 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.790 7.368 -13.459 1.00 0.00 H new ATOM 0 HG SER A 5 4.608 7.905 -11.533 1.00 0.00 H new ATOM 48 N SER A 6 7.830 7.339 -14.913 1.00 0.00 N ATOM 49 CA SER A 6 8.661 6.309 -15.513 1.00 0.00 C ATOM 50 C SER A 6 8.918 5.189 -14.502 1.00 0.00 C ATOM 51 O SER A 6 9.813 5.296 -13.665 1.00 0.00 O ATOM 52 CB SER A 6 9.987 6.890 -16.009 1.00 0.00 C ATOM 53 OG SER A 6 10.023 6.998 -17.429 1.00 0.00 O ATOM 0 H SER A 6 6.985 7.565 -15.438 1.00 0.00 H new ATOM 0 HA SER A 6 8.130 5.900 -16.373 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.140 7.874 -15.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.809 6.258 -15.672 1.00 0.00 H new ATOM 0 HG SER A 6 10.884 7.374 -17.707 1.00 0.00 H new ATOM 59 N GLY A 7 8.116 4.140 -14.613 1.00 0.00 N ATOM 60 CA GLY A 7 8.245 3.002 -13.719 1.00 0.00 C ATOM 61 C GLY A 7 7.250 1.899 -14.088 1.00 0.00 C ATOM 62 O GLY A 7 6.672 1.918 -15.173 1.00 0.00 O ATOM 0 H GLY A 7 7.375 4.054 -15.308 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.261 2.611 -13.767 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.074 3.321 -12.691 1.00 0.00 H new ATOM 66 N TYR A 8 7.081 0.965 -13.164 1.00 0.00 N ATOM 67 CA TYR A 8 6.166 -0.143 -13.378 1.00 0.00 C ATOM 68 C TYR A 8 5.231 -0.321 -12.181 1.00 0.00 C ATOM 69 O TYR A 8 5.591 0.010 -11.052 1.00 0.00 O ATOM 70 CB TYR A 8 7.041 -1.391 -13.517 1.00 0.00 C ATOM 71 CG TYR A 8 8.005 -1.608 -12.349 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.514 -1.929 -11.099 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.365 -1.482 -12.544 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.422 -2.133 -10.000 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.273 -1.686 -11.445 1.00 0.00 C ATOM 76 CZ TYR A 8 9.756 -2.002 -10.227 1.00 0.00 C ATOM 77 OH TYR A 8 10.613 -2.195 -9.189 1.00 0.00 O ATOM 0 H TYR A 8 7.563 0.953 -12.265 1.00 0.00 H new ATOM 0 HA TYR A 8 5.547 0.034 -14.258 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.397 -2.265 -13.610 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.616 -1.318 -14.440 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.449 -2.027 -10.946 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.749 -1.230 -13.522 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.051 -2.384 -9.017 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.340 -1.590 -11.585 1.00 0.00 H new ATOM 0 HH TYR A 8 11.535 -2.070 -9.498 1.00 0.00 H new ATOM 87 N VAL A 9 4.047 -0.843 -12.468 1.00 0.00 N ATOM 88 CA VAL A 9 3.057 -1.069 -11.429 1.00 0.00 C ATOM 89 C VAL A 9 3.075 -2.545 -11.026 1.00 0.00 C ATOM 90 O VAL A 9 3.560 -3.391 -11.775 1.00 0.00 O ATOM 91 CB VAL A 9 1.682 -0.597 -11.906 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.655 -0.669 -10.774 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.758 0.817 -12.487 1.00 0.00 C ATOM 0 H VAL A 9 3.751 -1.116 -13.405 1.00 0.00 H new ATOM 0 HA VAL A 9 3.296 -0.486 -10.540 1.00 0.00 H new ATOM 0 HB VAL A 9 1.355 -1.268 -12.700 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.314 -0.328 -11.139 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.570 -1.698 -10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.977 -0.032 -9.950 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.767 1.128 -12.818 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.118 1.506 -11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.443 0.826 -13.335 1.00 0.00 H new ATOM 103 N PHE A 10 2.541 -2.808 -9.842 1.00 0.00 N ATOM 104 CA PHE A 10 2.490 -4.166 -9.329 1.00 0.00 C ATOM 105 C PHE A 10 1.236 -4.385 -8.480 1.00 0.00 C ATOM 106 O PHE A 10 0.852 -3.517 -7.699 1.00 0.00 O ATOM 107 CB PHE A 10 3.727 -4.360 -8.450 1.00 0.00 C ATOM 108 CG PHE A 10 3.655 -3.633 -7.106 1.00 0.00 C ATOM 109 CD1 PHE A 10 3.055 -4.230 -6.041 1.00 0.00 C ATOM 110 CD2 PHE A 10 4.190 -2.389 -6.975 1.00 0.00 C ATOM 111 CE1 PHE A 10 2.988 -3.556 -4.793 1.00 0.00 C ATOM 112 CE2 PHE A 10 4.123 -1.715 -5.728 1.00 0.00 C ATOM 113 CZ PHE A 10 3.524 -2.312 -4.663 1.00 0.00 C ATOM 0 H PHE A 10 2.140 -2.103 -9.223 1.00 0.00 H new ATOM 0 HA PHE A 10 2.464 -4.875 -10.157 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.867 -5.426 -8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.605 -4.011 -8.994 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.629 -5.217 -6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.666 -1.914 -7.820 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.512 -4.030 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.548 -0.727 -5.625 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.474 -1.799 -3.714 1.00 0.00 H new ATOM 123 N THR A 11 0.633 -5.551 -8.662 1.00 0.00 N ATOM 124 CA THR A 11 -0.569 -5.895 -7.923 1.00 0.00 C ATOM 125 C THR A 11 -0.206 -6.529 -6.578 1.00 0.00 C ATOM 126 O THR A 11 0.917 -6.995 -6.391 1.00 0.00 O ATOM 127 CB THR A 11 -1.427 -6.801 -8.809 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.731 -5.991 -9.941 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.793 -7.103 -8.189 1.00 0.00 C ATOM 0 H THR A 11 0.955 -6.269 -9.311 1.00 0.00 H new ATOM 0 HA THR A 11 -1.152 -5.006 -7.681 1.00 0.00 H new ATOM 0 HB THR A 11 -0.898 -7.736 -8.993 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.284 -6.501 -10.569 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.361 -7.749 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.655 -7.604 -7.231 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.337 -6.171 -8.036 1.00 0.00 H new ATOM 137 N VAL A 12 -1.176 -6.525 -5.677 1.00 0.00 N ATOM 138 CA VAL A 12 -0.972 -7.093 -4.355 1.00 0.00 C ATOM 139 C VAL A 12 -2.260 -7.781 -3.896 1.00 0.00 C ATOM 140 O VAL A 12 -3.268 -7.120 -3.654 1.00 0.00 O ATOM 141 CB VAL A 12 -0.496 -6.009 -3.387 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.480 -6.583 -2.357 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.131 -4.836 -4.143 1.00 0.00 C ATOM 0 H VAL A 12 -2.106 -6.137 -5.836 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.190 -7.852 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.367 -5.634 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.803 -5.791 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.014 -7.369 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.347 -6.998 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.461 -4.079 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.986 -5.190 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.607 -4.402 -4.818 1.00 0.00 H new ATOM 153 N GLU A 13 -2.183 -9.100 -3.791 1.00 0.00 N ATOM 154 CA GLU A 13 -3.330 -9.884 -3.366 1.00 0.00 C ATOM 155 C GLU A 13 -3.148 -10.348 -1.919 1.00 0.00 C ATOM 156 O GLU A 13 -2.402 -11.290 -1.654 1.00 0.00 O ATOM 157 CB GLU A 13 -3.556 -11.075 -4.299 1.00 0.00 C ATOM 158 CG GLU A 13 -4.424 -10.678 -5.495 1.00 0.00 C ATOM 159 CD GLU A 13 -4.864 -11.911 -6.287 1.00 0.00 C ATOM 160 OE1 GLU A 13 -5.491 -12.793 -5.661 1.00 0.00 O ATOM 161 OE2 GLU A 13 -4.565 -11.943 -7.500 1.00 0.00 O ATOM 0 H GLU A 13 -1.345 -9.645 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.217 -9.252 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.596 -11.453 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.036 -11.886 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.301 -10.133 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.867 -10.004 -6.145 1.00 0.00 H new ATOM 168 N LEU A 14 -3.843 -9.666 -1.021 1.00 0.00 N ATOM 169 CA LEU A 14 -3.768 -9.996 0.392 1.00 0.00 C ATOM 170 C LEU A 14 -5.061 -10.695 0.817 1.00 0.00 C ATOM 171 O LEU A 14 -6.053 -10.670 0.090 1.00 0.00 O ATOM 172 CB LEU A 14 -3.443 -8.750 1.217 1.00 0.00 C ATOM 173 CG LEU A 14 -2.039 -8.170 1.033 1.00 0.00 C ATOM 174 CD1 LEU A 14 -0.978 -9.269 1.119 1.00 0.00 C ATOM 175 CD2 LEU A 14 -1.940 -7.378 -0.272 1.00 0.00 C ATOM 0 H LEU A 14 -4.461 -8.886 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.952 -10.694 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.169 -7.976 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.580 -8.991 2.271 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.847 -7.472 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.011 -8.831 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.032 -9.751 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.156 -10.009 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.932 -6.977 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.160 -8.035 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.657 -6.558 -0.255 1.00 0.00 H new ATOM 187 N GLU A 15 -5.008 -11.303 1.993 1.00 0.00 N ATOM 188 CA GLU A 15 -6.163 -12.008 2.524 1.00 0.00 C ATOM 189 C GLU A 15 -6.644 -11.342 3.815 1.00 0.00 C ATOM 190 O GLU A 15 -6.002 -11.465 4.857 1.00 0.00 O ATOM 191 CB GLU A 15 -5.844 -13.486 2.756 1.00 0.00 C ATOM 192 CG GLU A 15 -6.900 -14.142 3.648 1.00 0.00 C ATOM 193 CD GLU A 15 -6.856 -15.666 3.519 1.00 0.00 C ATOM 194 OE1 GLU A 15 -6.498 -16.133 2.416 1.00 0.00 O ATOM 195 OE2 GLU A 15 -7.183 -16.330 4.527 1.00 0.00 O ATOM 0 H GLU A 15 -4.184 -11.322 2.593 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.966 -11.954 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.797 -14.006 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.862 -13.581 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.732 -13.856 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.890 -13.779 3.373 1.00 0.00 H new ATOM 202 N ARG A 16 -7.769 -10.652 3.703 1.00 0.00 N ATOM 203 CA ARG A 16 -8.343 -9.966 4.849 1.00 0.00 C ATOM 204 C ARG A 16 -8.153 -10.801 6.117 1.00 0.00 C ATOM 205 O ARG A 16 -8.805 -11.829 6.291 1.00 0.00 O ATOM 206 CB ARG A 16 -9.836 -9.701 4.640 1.00 0.00 C ATOM 207 CG ARG A 16 -10.249 -8.370 5.270 1.00 0.00 C ATOM 208 CD ARG A 16 -11.405 -7.733 4.496 1.00 0.00 C ATOM 209 NE ARG A 16 -12.393 -7.164 5.440 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.135 -7.896 6.282 1.00 0.00 C ATOM 211 NH1 ARG A 16 -13.005 -9.229 6.304 1.00 0.00 N ATOM 212 NH2 ARG A 16 -14.007 -7.294 7.103 1.00 0.00 N ATOM 0 H ARG A 16 -8.299 -10.553 2.837 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.827 -9.012 4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.061 -9.688 3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.418 -10.511 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.545 -8.531 6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.397 -7.690 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.026 -6.951 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.884 -8.479 3.862 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.517 -6.152 5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.341 -9.687 5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.570 -9.786 6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.106 -6.279 7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.572 -7.851 7.744 1.00 0.00 H new ATOM 226 N GLY A 17 -7.256 -10.327 6.969 1.00 0.00 N ATOM 227 CA GLY A 17 -6.972 -11.016 8.216 1.00 0.00 C ATOM 228 C GLY A 17 -7.994 -10.648 9.293 1.00 0.00 C ATOM 229 O GLY A 17 -9.015 -10.028 8.998 1.00 0.00 O ATOM 0 H GLY A 17 -6.717 -9.474 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.985 -12.093 8.051 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.970 -10.758 8.558 1.00 0.00 H new ATOM 233 N PRO A 18 -7.677 -11.055 10.551 1.00 0.00 N ATOM 234 CA PRO A 18 -8.557 -10.774 11.673 1.00 0.00 C ATOM 235 C PRO A 18 -8.464 -9.304 12.087 1.00 0.00 C ATOM 236 O PRO A 18 -9.239 -8.841 12.923 1.00 0.00 O ATOM 237 CB PRO A 18 -8.114 -11.729 12.769 1.00 0.00 C ATOM 238 CG PRO A 18 -6.714 -12.182 12.387 1.00 0.00 C ATOM 239 CD PRO A 18 -6.477 -11.791 10.937 1.00 0.00 C ATOM 0 HA PRO A 18 -9.609 -10.927 11.432 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.113 -11.235 13.741 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.792 -12.579 12.844 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.972 -11.715 13.034 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.614 -13.260 12.513 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.584 -11.175 10.834 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.332 -12.670 10.308 1.00 0.00 H new ATOM 247 N SER A 19 -7.509 -8.611 11.484 1.00 0.00 N ATOM 248 CA SER A 19 -7.305 -7.203 11.780 1.00 0.00 C ATOM 249 C SER A 19 -7.786 -6.347 10.607 1.00 0.00 C ATOM 250 O SER A 19 -7.895 -5.128 10.729 1.00 0.00 O ATOM 251 CB SER A 19 -5.834 -6.912 12.083 1.00 0.00 C ATOM 252 OG SER A 19 -5.231 -7.949 12.851 1.00 0.00 O ATOM 0 H SER A 19 -6.868 -8.998 10.792 1.00 0.00 H new ATOM 0 HA SER A 19 -7.887 -6.951 12.667 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.289 -6.790 11.147 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.755 -5.968 12.623 1.00 0.00 H new ATOM 0 HG SER A 19 -4.292 -7.726 13.022 1.00 0.00 H new ATOM 258 N GLY A 20 -8.060 -7.018 9.499 1.00 0.00 N ATOM 259 CA GLY A 20 -8.526 -6.334 8.305 1.00 0.00 C ATOM 260 C GLY A 20 -7.350 -5.852 7.454 1.00 0.00 C ATOM 261 O GLY A 20 -7.315 -4.697 7.033 1.00 0.00 O ATOM 0 H GLY A 20 -7.968 -8.029 9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.153 -7.006 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.147 -5.484 8.588 1.00 0.00 H new ATOM 265 N LEU A 21 -6.414 -6.762 7.226 1.00 0.00 N ATOM 266 CA LEU A 21 -5.238 -6.444 6.434 1.00 0.00 C ATOM 267 C LEU A 21 -4.228 -5.695 7.305 1.00 0.00 C ATOM 268 O LEU A 21 -3.948 -6.105 8.430 1.00 0.00 O ATOM 269 CB LEU A 21 -5.636 -5.687 5.165 1.00 0.00 C ATOM 270 CG LEU A 21 -6.872 -6.212 4.431 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.703 -5.060 3.863 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.480 -7.223 3.351 1.00 0.00 C ATOM 0 H LEU A 21 -6.446 -7.720 7.576 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.750 -7.357 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.810 -4.643 5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.793 -5.706 4.475 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.500 -6.737 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.575 -5.461 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.029 -4.411 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.098 -4.486 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.377 -7.580 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.821 -6.745 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.963 -8.065 3.811 1.00 0.00 H new ATOM 284 N GLY A 22 -3.708 -4.609 6.751 1.00 0.00 N ATOM 285 CA GLY A 22 -2.734 -3.799 7.464 1.00 0.00 C ATOM 286 C GLY A 22 -1.990 -2.867 6.506 1.00 0.00 C ATOM 287 O GLY A 22 -0.914 -3.205 6.015 1.00 0.00 O ATOM 0 H GLY A 22 -3.943 -4.271 5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.237 -3.211 8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.021 -4.446 7.974 1.00 0.00 H new ATOM 291 N MET A 23 -2.593 -1.711 6.268 1.00 0.00 N ATOM 292 CA MET A 23 -2.001 -0.728 5.377 1.00 0.00 C ATOM 293 C MET A 23 -2.368 0.694 5.808 1.00 0.00 C ATOM 294 O MET A 23 -3.474 1.161 5.543 1.00 0.00 O ATOM 295 CB MET A 23 -2.492 -0.971 3.949 1.00 0.00 C ATOM 296 CG MET A 23 -1.344 -1.420 3.043 1.00 0.00 C ATOM 297 SD MET A 23 -1.910 -1.542 1.355 1.00 0.00 S ATOM 298 CE MET A 23 -3.553 -2.186 1.625 1.00 0.00 C ATOM 0 H MET A 23 -3.485 -1.433 6.677 1.00 0.00 H new ATOM 0 HA MET A 23 -0.917 -0.833 5.420 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.274 -1.730 3.954 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.936 -0.058 3.553 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.519 -0.710 3.108 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.962 -2.384 3.378 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.986 -2.490 0.672 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.501 -3.047 2.291 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.176 -1.415 2.077 1.00 0.00 H new ATOM 308 N GLY A 24 -1.418 1.342 6.466 1.00 0.00 N ATOM 309 CA GLY A 24 -1.627 2.701 6.937 1.00 0.00 C ATOM 310 C GLY A 24 -1.730 3.677 5.764 1.00 0.00 C ATOM 311 O GLY A 24 -0.889 4.561 5.611 1.00 0.00 O ATOM 0 H GLY A 24 -0.501 0.951 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.538 2.747 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.804 2.995 7.588 1.00 0.00 H new ATOM 315 N LEU A 25 -2.770 3.485 4.965 1.00 0.00 N ATOM 316 CA LEU A 25 -2.994 4.338 3.810 1.00 0.00 C ATOM 317 C LEU A 25 -3.480 5.710 4.282 1.00 0.00 C ATOM 318 O LEU A 25 -4.392 5.802 5.102 1.00 0.00 O ATOM 319 CB LEU A 25 -3.940 3.659 2.818 1.00 0.00 C ATOM 320 CG LEU A 25 -3.669 2.179 2.538 1.00 0.00 C ATOM 321 CD1 LEU A 25 -4.446 1.701 1.310 1.00 0.00 C ATOM 322 CD2 LEU A 25 -2.168 1.912 2.406 1.00 0.00 C ATOM 0 H LEU A 25 -3.467 2.751 5.095 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.062 4.498 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.959 3.757 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.894 4.201 1.874 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.026 1.600 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.235 0.646 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.514 1.834 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.143 2.282 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.003 0.853 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.764 2.503 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.666 2.190 3.333 1.00 0.00 H new ATOM 334 N ILE A 26 -2.849 6.743 3.743 1.00 0.00 N ATOM 335 CA ILE A 26 -3.205 8.106 4.098 1.00 0.00 C ATOM 336 C ILE A 26 -3.354 8.939 2.823 1.00 0.00 C ATOM 337 O ILE A 26 -2.896 8.533 1.756 1.00 0.00 O ATOM 338 CB ILE A 26 -2.196 8.682 5.094 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.707 9.991 5.699 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.820 8.849 4.446 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.234 10.148 7.145 1.00 0.00 C ATOM 0 H ILE A 26 -2.093 6.663 3.063 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.168 8.127 4.607 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.083 7.972 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.354 10.833 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.796 10.011 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.122 9.260 5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.459 7.879 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.898 9.527 3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.611 11.087 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.609 9.317 7.743 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.144 10.152 7.173 1.00 0.00 H new ATOM 353 N ASP A 27 -3.996 10.087 2.976 1.00 0.00 N ATOM 354 CA ASP A 27 -4.211 10.980 1.851 1.00 0.00 C ATOM 355 C ASP A 27 -2.925 11.760 1.570 1.00 0.00 C ATOM 356 O ASP A 27 -2.454 12.514 2.420 1.00 0.00 O ATOM 357 CB ASP A 27 -5.319 11.991 2.153 1.00 0.00 C ATOM 358 CG ASP A 27 -6.123 12.453 0.936 1.00 0.00 C ATOM 359 OD1 ASP A 27 -5.566 13.259 0.160 1.00 0.00 O ATOM 360 OD2 ASP A 27 -7.277 11.989 0.809 1.00 0.00 O ATOM 0 H ASP A 27 -4.375 10.420 3.863 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.499 10.374 0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.005 11.550 2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.873 12.865 2.628 1.00 0.00 H new ATOM 365 N GLY A 28 -2.393 11.550 0.375 1.00 0.00 N ATOM 366 CA GLY A 28 -1.170 12.224 -0.028 1.00 0.00 C ATOM 367 C GLY A 28 -1.169 13.683 0.434 1.00 0.00 C ATOM 368 O GLY A 28 -0.110 14.266 0.660 1.00 0.00 O ATOM 0 H GLY A 28 -2.786 10.923 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.309 11.705 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.068 12.182 -1.112 1.00 0.00 H new ATOM 372 N MET A 29 -2.369 14.230 0.560 1.00 0.00 N ATOM 373 CA MET A 29 -2.521 15.610 0.990 1.00 0.00 C ATOM 374 C MET A 29 -2.154 15.766 2.467 1.00 0.00 C ATOM 375 O MET A 29 -1.457 16.708 2.841 1.00 0.00 O ATOM 376 CB MET A 29 -3.968 16.056 0.773 1.00 0.00 C ATOM 377 CG MET A 29 -4.388 15.862 -0.685 1.00 0.00 C ATOM 378 SD MET A 29 -4.688 17.447 -1.451 1.00 0.00 S ATOM 379 CE MET A 29 -3.744 17.249 -2.953 1.00 0.00 C ATOM 0 H MET A 29 -3.245 13.743 0.372 1.00 0.00 H new ATOM 0 HA MET A 29 -1.848 16.232 0.400 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.630 15.486 1.425 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.074 17.105 1.049 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.609 15.328 -1.229 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.288 15.249 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.226 18.180 -3.183 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.013 16.451 -2.821 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.415 16.995 -3.774 1.00 0.00 H new ATOM 389 N HIS A 30 -2.640 14.829 3.268 1.00 0.00 N ATOM 390 CA HIS A 30 -2.373 14.851 4.695 1.00 0.00 C ATOM 391 C HIS A 30 -0.866 14.738 4.937 1.00 0.00 C ATOM 392 O HIS A 30 -0.323 15.406 5.815 1.00 0.00 O ATOM 393 CB HIS A 30 -3.172 13.763 5.415 1.00 0.00 C ATOM 394 CG HIS A 30 -4.545 14.204 5.864 1.00 0.00 C ATOM 395 ND1 HIS A 30 -5.358 13.423 6.666 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.237 15.353 5.616 1.00 0.00 C ATOM 397 CE1 HIS A 30 -6.487 14.082 6.884 1.00 0.00 C ATOM 398 NE2 HIS A 30 -6.410 15.277 6.232 1.00 0.00 N ATOM 0 H HIS A 30 -3.218 14.049 2.955 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.704 15.801 5.115 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.276 12.904 4.752 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.607 13.427 6.285 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.889 16.184 5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.322 13.734 7.474 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.135 15.995 6.220 1.00 0.00 H new ATOM 406 N THR A 31 -0.234 13.887 4.142 1.00 0.00 N ATOM 407 CA THR A 31 1.199 13.677 4.259 1.00 0.00 C ATOM 408 C THR A 31 1.961 14.817 3.581 1.00 0.00 C ATOM 409 O THR A 31 1.453 15.442 2.651 1.00 0.00 O ATOM 410 CB THR A 31 1.524 12.299 3.678 1.00 0.00 C ATOM 411 OG1 THR A 31 0.647 12.178 2.561 1.00 0.00 O ATOM 412 CG2 THR A 31 1.104 11.159 4.608 1.00 0.00 C ATOM 0 H THR A 31 -0.688 13.335 3.414 1.00 0.00 H new ATOM 0 HA THR A 31 1.517 13.689 5.301 1.00 0.00 H new ATOM 0 HB THR A 31 2.594 12.231 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.701 12.989 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.357 10.203 4.149 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.627 11.254 5.560 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.029 11.206 4.779 1.00 0.00 H new ATOM 420 N HIS A 32 3.168 15.054 4.073 1.00 0.00 N ATOM 421 CA HIS A 32 4.006 16.108 3.527 1.00 0.00 C ATOM 422 C HIS A 32 3.869 16.135 2.003 1.00 0.00 C ATOM 423 O HIS A 32 4.008 17.187 1.382 1.00 0.00 O ATOM 424 CB HIS A 32 5.455 15.946 3.989 1.00 0.00 C ATOM 425 CG HIS A 32 6.159 17.250 4.276 1.00 0.00 C ATOM 426 ND1 HIS A 32 6.609 17.598 5.537 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.485 18.287 3.451 1.00 0.00 C ATOM 428 CE1 HIS A 32 7.179 18.792 5.464 1.00 0.00 C ATOM 429 NE2 HIS A 32 7.100 19.218 4.170 1.00 0.00 N ATOM 0 H HIS A 32 3.586 14.534 4.844 1.00 0.00 H new ATOM 0 HA HIS A 32 3.672 17.074 3.905 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.472 15.331 4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.011 15.406 3.223 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.278 18.341 2.392 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.627 19.333 6.284 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.455 20.105 3.814 1.00 0.00 H new ATOM 437 N LEU A 33 3.598 14.964 1.445 1.00 0.00 N ATOM 438 CA LEU A 33 3.441 14.839 0.006 1.00 0.00 C ATOM 439 C LEU A 33 2.637 16.030 -0.520 1.00 0.00 C ATOM 440 O LEU A 33 3.138 16.815 -1.324 1.00 0.00 O ATOM 441 CB LEU A 33 2.832 13.481 -0.351 1.00 0.00 C ATOM 442 CG LEU A 33 3.064 12.999 -1.784 1.00 0.00 C ATOM 443 CD1 LEU A 33 1.741 12.631 -2.459 1.00 0.00 C ATOM 444 CD2 LEU A 33 3.850 14.034 -2.591 1.00 0.00 C ATOM 0 H LEU A 33 3.483 14.093 1.964 1.00 0.00 H new ATOM 0 HA LEU A 33 4.413 14.866 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.235 12.733 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.758 13.529 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 33 3.670 12.094 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.934 12.291 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.255 11.834 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.090 13.505 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.001 13.666 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.292 14.970 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.818 14.205 -2.119 1.00 0.00 H new ATOM 456 N GLY A 34 1.404 16.128 -0.044 1.00 0.00 N ATOM 457 CA GLY A 34 0.527 17.210 -0.457 1.00 0.00 C ATOM 458 C GLY A 34 -0.162 16.883 -1.783 1.00 0.00 C ATOM 459 O GLY A 34 -1.081 17.586 -2.200 1.00 0.00 O ATOM 0 H GLY A 34 0.992 15.476 0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.224 17.388 0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.102 18.130 -0.560 1.00 0.00 H new ATOM 463 N ALA A 35 0.309 15.814 -2.409 1.00 0.00 N ATOM 464 CA ALA A 35 -0.250 15.385 -3.680 1.00 0.00 C ATOM 465 C ALA A 35 -1.509 14.555 -3.424 1.00 0.00 C ATOM 466 O ALA A 35 -1.616 13.883 -2.399 1.00 0.00 O ATOM 467 CB ALA A 35 0.809 14.610 -4.468 1.00 0.00 C ATOM 0 H ALA A 35 1.071 15.233 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.539 16.246 -4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.390 14.288 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.671 15.253 -4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.122 13.737 -3.896 1.00 0.00 H new ATOM 473 N PRO A 36 -2.456 14.630 -4.398 1.00 0.00 N ATOM 474 CA PRO A 36 -3.703 13.894 -4.288 1.00 0.00 C ATOM 475 C PRO A 36 -3.487 12.405 -4.565 1.00 0.00 C ATOM 476 O PRO A 36 -2.651 12.038 -5.389 1.00 0.00 O ATOM 477 CB PRO A 36 -4.639 14.554 -5.287 1.00 0.00 C ATOM 478 CG PRO A 36 -3.748 15.327 -6.245 1.00 0.00 C ATOM 479 CD PRO A 36 -2.363 15.416 -5.625 1.00 0.00 C ATOM 0 HA PRO A 36 -4.125 13.929 -3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.231 13.809 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.341 15.219 -4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.702 14.826 -7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.152 16.324 -6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.602 15.016 -6.295 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.089 16.450 -5.414 1.00 0.00 H new ATOM 487 N GLY A 37 -4.256 11.587 -3.860 1.00 0.00 N ATOM 488 CA GLY A 37 -4.159 10.146 -4.020 1.00 0.00 C ATOM 489 C GLY A 37 -3.839 9.467 -2.687 1.00 0.00 C ATOM 490 O GLY A 37 -3.322 10.103 -1.771 1.00 0.00 O ATOM 0 H GLY A 37 -4.948 11.895 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.097 9.756 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.384 9.909 -4.749 1.00 0.00 H new ATOM 494 N LEU A 38 -4.161 8.183 -2.622 1.00 0.00 N ATOM 495 CA LEU A 38 -3.915 7.410 -1.416 1.00 0.00 C ATOM 496 C LEU A 38 -2.510 6.808 -1.480 1.00 0.00 C ATOM 497 O LEU A 38 -2.089 6.316 -2.526 1.00 0.00 O ATOM 498 CB LEU A 38 -5.020 6.373 -1.209 1.00 0.00 C ATOM 499 CG LEU A 38 -6.160 6.784 -0.274 1.00 0.00 C ATOM 500 CD1 LEU A 38 -5.674 6.880 1.173 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.814 8.085 -0.747 1.00 0.00 C ATOM 0 H LEU A 38 -4.590 7.659 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.947 8.054 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.446 6.126 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.567 5.462 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.925 6.008 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.503 7.174 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.291 5.911 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.880 7.624 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.621 8.355 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.070 8.882 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.217 7.946 -1.750 1.00 0.00 H new ATOM 513 N TYR A 39 -1.824 6.866 -0.348 1.00 0.00 N ATOM 514 CA TYR A 39 -0.475 6.331 -0.262 1.00 0.00 C ATOM 515 C TYR A 39 -0.263 5.588 1.058 1.00 0.00 C ATOM 516 O TYR A 39 -0.903 5.901 2.061 1.00 0.00 O ATOM 517 CB TYR A 39 0.461 7.541 -0.309 1.00 0.00 C ATOM 518 CG TYR A 39 0.288 8.413 -1.554 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.665 9.412 -1.570 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.085 8.202 -2.661 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.827 10.234 -2.741 1.00 0.00 C ATOM 522 CE2 TYR A 39 0.922 9.024 -3.832 1.00 0.00 C ATOM 523 CZ TYR A 39 -0.026 9.999 -3.814 1.00 0.00 C ATOM 524 OH TYR A 39 -0.179 10.775 -4.921 1.00 0.00 O ATOM 0 H TYR A 39 -2.177 7.275 0.517 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.289 5.626 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.292 8.153 0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.492 7.192 -0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.289 9.577 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.831 7.421 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.568 11.019 -2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.539 8.870 -4.705 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.088 11.140 -4.941 1.00 0.00 H new ATOM 534 N ILE A 40 0.638 4.617 1.015 1.00 0.00 N ATOM 535 CA ILE A 40 0.943 3.827 2.196 1.00 0.00 C ATOM 536 C ILE A 40 1.748 4.678 3.180 1.00 0.00 C ATOM 537 O ILE A 40 2.722 5.323 2.796 1.00 0.00 O ATOM 538 CB ILE A 40 1.636 2.521 1.802 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.853 1.793 0.708 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.870 1.634 3.026 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.293 0.332 0.598 1.00 0.00 C ATOM 0 H ILE A 40 1.166 4.360 0.181 1.00 0.00 H new ATOM 0 HA ILE A 40 0.025 3.533 2.705 1.00 0.00 H new ATOM 0 HB ILE A 40 2.615 2.765 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.214 1.840 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.004 2.295 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.364 0.712 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.500 2.161 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.913 1.395 3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.721 -0.162 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.355 0.289 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.118 -0.173 1.548 1.00 0.00 H new ATOM 553 N GLN A 41 1.311 4.651 4.431 1.00 0.00 N ATOM 554 CA GLN A 41 1.979 5.412 5.473 1.00 0.00 C ATOM 555 C GLN A 41 2.670 4.468 6.459 1.00 0.00 C ATOM 556 O GLN A 41 3.767 4.756 6.935 1.00 0.00 O ATOM 557 CB GLN A 41 0.995 6.335 6.195 1.00 0.00 C ATOM 558 CG GLN A 41 1.732 7.457 6.928 1.00 0.00 C ATOM 559 CD GLN A 41 1.247 7.577 8.375 1.00 0.00 C ATOM 560 OE1 GLN A 41 0.102 8.241 8.508 1.00 0.00 O flip ATOM 561 NE2 GLN A 41 1.871 7.099 9.308 1.00 0.00 N flip ATOM 0 H GLN A 41 0.503 4.114 4.746 1.00 0.00 H new ATOM 0 HA GLN A 41 2.739 6.039 5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.297 6.763 5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.405 5.758 6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.804 7.262 6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.574 8.402 6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.744 6.601 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.519 7.198 10.260 1.00 0.00 H new ATOM 570 N THR A 42 1.999 3.360 6.737 1.00 0.00 N ATOM 571 CA THR A 42 2.534 2.372 7.659 1.00 0.00 C ATOM 572 C THR A 42 2.073 0.968 7.262 1.00 0.00 C ATOM 573 O THR A 42 0.999 0.803 6.685 1.00 0.00 O ATOM 574 CB THR A 42 2.117 2.771 9.075 1.00 0.00 C ATOM 575 OG1 THR A 42 0.900 3.489 8.889 1.00 0.00 O ATOM 576 CG2 THR A 42 3.064 3.799 9.697 1.00 0.00 C ATOM 0 H THR A 42 1.089 3.124 6.340 1.00 0.00 H new ATOM 0 HA THR A 42 3.623 2.345 7.622 1.00 0.00 H new ATOM 0 HB THR A 42 2.080 1.883 9.706 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.558 3.784 9.759 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.722 4.047 10.702 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.070 3.383 9.749 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.076 4.700 9.084 1.00 0.00 H new ATOM 584 N LEU A 43 2.908 -0.008 7.587 1.00 0.00 N ATOM 585 CA LEU A 43 2.600 -1.392 7.272 1.00 0.00 C ATOM 586 C LEU A 43 2.457 -2.187 8.571 1.00 0.00 C ATOM 587 O LEU A 43 3.454 -2.546 9.196 1.00 0.00 O ATOM 588 CB LEU A 43 3.641 -1.968 6.310 1.00 0.00 C ATOM 589 CG LEU A 43 3.143 -2.303 4.903 1.00 0.00 C ATOM 590 CD1 LEU A 43 1.942 -3.250 4.958 1.00 0.00 C ATOM 591 CD2 LEU A 43 2.833 -1.029 4.114 1.00 0.00 C ATOM 0 H LEU A 43 3.798 0.133 8.065 1.00 0.00 H new ATOM 0 HA LEU A 43 1.646 -1.460 6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.460 -1.254 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.053 -2.874 6.753 1.00 0.00 H new ATOM 0 HG LEU A 43 3.940 -2.824 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.607 -3.472 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.231 -4.175 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.131 -2.777 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.481 -1.295 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.061 -0.459 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.736 -0.424 4.030 1.00 0.00 H new ATOM 603 N LEU A 44 1.209 -2.438 8.940 1.00 0.00 N ATOM 604 CA LEU A 44 0.923 -3.184 10.154 1.00 0.00 C ATOM 605 C LEU A 44 1.870 -4.382 10.246 1.00 0.00 C ATOM 606 O LEU A 44 2.371 -4.862 9.230 1.00 0.00 O ATOM 607 CB LEU A 44 -0.558 -3.564 10.213 1.00 0.00 C ATOM 608 CG LEU A 44 -1.342 -3.023 11.410 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.465 -2.090 10.953 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.865 -4.164 12.284 1.00 0.00 C ATOM 0 H LEU A 44 0.385 -2.138 8.420 1.00 0.00 H new ATOM 0 HA LEU A 44 1.105 -2.566 11.033 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.039 -3.213 9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.634 -4.651 10.216 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.663 -2.432 12.025 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.007 -1.719 11.823 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.039 -1.249 10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.150 -2.636 10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.419 -3.752 13.128 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.524 -4.801 11.694 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.026 -4.753 12.654 1.00 0.00 H new ATOM 622 N PRO A 45 2.092 -4.844 11.506 1.00 0.00 N ATOM 623 CA PRO A 45 2.969 -5.977 11.745 1.00 0.00 C ATOM 624 C PRO A 45 2.291 -7.289 11.346 1.00 0.00 C ATOM 625 O PRO A 45 2.568 -7.837 10.281 1.00 0.00 O ATOM 626 CB PRO A 45 3.307 -5.908 13.225 1.00 0.00 C ATOM 627 CG PRO A 45 2.245 -5.022 13.854 1.00 0.00 C ATOM 628 CD PRO A 45 1.516 -4.301 12.733 1.00 0.00 C ATOM 0 HA PRO A 45 3.876 -5.942 11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.302 -6.901 13.673 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.303 -5.493 13.379 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.547 -5.620 14.440 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.701 -4.305 14.536 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.442 -4.481 12.779 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.662 -3.223 12.795 1.00 0.00 H new ATOM 636 N GLY A 46 1.414 -7.755 12.224 1.00 0.00 N ATOM 637 CA GLY A 46 0.694 -8.992 11.978 1.00 0.00 C ATOM 638 C GLY A 46 -0.394 -8.792 10.920 1.00 0.00 C ATOM 639 O GLY A 46 -1.568 -9.059 11.174 1.00 0.00 O ATOM 0 H GLY A 46 1.186 -7.297 13.107 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.390 -9.763 11.648 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.244 -9.346 12.906 1.00 0.00 H new ATOM 643 N SER A 47 0.035 -8.324 9.757 1.00 0.00 N ATOM 644 CA SER A 47 -0.887 -8.085 8.661 1.00 0.00 C ATOM 645 C SER A 47 -0.363 -8.744 7.383 1.00 0.00 C ATOM 646 O SER A 47 0.825 -9.042 7.277 1.00 0.00 O ATOM 647 CB SER A 47 -1.100 -6.587 8.436 1.00 0.00 C ATOM 648 OG SER A 47 0.117 -5.853 8.541 1.00 0.00 O ATOM 0 H SER A 47 1.009 -8.104 9.550 1.00 0.00 H new ATOM 0 HA SER A 47 -1.849 -8.526 8.922 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.536 -6.427 7.450 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.816 -6.209 9.166 1.00 0.00 H new ATOM 0 HG SER A 47 0.074 -5.064 7.961 1.00 0.00 H new ATOM 654 N PRO A 48 -1.300 -8.957 6.420 1.00 0.00 N ATOM 655 CA PRO A 48 -0.944 -9.575 5.154 1.00 0.00 C ATOM 656 C PRO A 48 -0.194 -8.590 4.255 1.00 0.00 C ATOM 657 O PRO A 48 0.758 -8.968 3.574 1.00 0.00 O ATOM 658 CB PRO A 48 -2.264 -10.037 4.558 1.00 0.00 C ATOM 659 CG PRO A 48 -3.346 -9.254 5.283 1.00 0.00 C ATOM 660 CD PRO A 48 -2.717 -8.617 6.511 1.00 0.00 C ATOM 0 HA PRO A 48 -0.260 -10.415 5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.296 -9.846 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.400 -11.110 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.767 -8.490 4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.165 -9.913 5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.866 -7.537 6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.159 -9.005 7.429 1.00 0.00 H new ATOM 668 N ALA A 49 -0.652 -7.347 4.282 1.00 0.00 N ATOM 669 CA ALA A 49 -0.036 -6.306 3.478 1.00 0.00 C ATOM 670 C ALA A 49 1.462 -6.249 3.785 1.00 0.00 C ATOM 671 O ALA A 49 2.289 -6.337 2.879 1.00 0.00 O ATOM 672 CB ALA A 49 -0.737 -4.972 3.745 1.00 0.00 C ATOM 0 H ALA A 49 -1.442 -7.038 4.848 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.147 -6.526 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.275 -4.191 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.792 -5.056 3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.645 -4.717 4.801 1.00 0.00 H new ATOM 678 N ALA A 50 1.766 -6.102 5.066 1.00 0.00 N ATOM 679 CA ALA A 50 3.150 -6.032 5.504 1.00 0.00 C ATOM 680 C ALA A 50 3.891 -7.287 5.039 1.00 0.00 C ATOM 681 O ALA A 50 4.862 -7.196 4.289 1.00 0.00 O ATOM 682 CB ALA A 50 3.197 -5.857 7.023 1.00 0.00 C ATOM 0 H ALA A 50 1.078 -6.029 5.815 1.00 0.00 H new ATOM 0 HA ALA A 50 3.650 -5.170 5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.235 -5.805 7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.682 -4.937 7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.707 -6.705 7.502 1.00 0.00 H new ATOM 688 N ALA A 51 3.405 -8.429 5.503 1.00 0.00 N ATOM 689 CA ALA A 51 4.010 -9.700 5.143 1.00 0.00 C ATOM 690 C ALA A 51 4.299 -9.716 3.641 1.00 0.00 C ATOM 691 O ALA A 51 5.309 -10.267 3.205 1.00 0.00 O ATOM 692 CB ALA A 51 3.088 -10.843 5.572 1.00 0.00 C ATOM 0 H ALA A 51 2.600 -8.501 6.125 1.00 0.00 H new ATOM 0 HA ALA A 51 4.959 -9.834 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.541 -11.797 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.939 -10.805 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.126 -10.743 5.069 1.00 0.00 H new ATOM 698 N ASP A 52 3.394 -9.105 2.890 1.00 0.00 N ATOM 699 CA ASP A 52 3.539 -9.043 1.446 1.00 0.00 C ATOM 700 C ASP A 52 4.971 -8.634 1.099 1.00 0.00 C ATOM 701 O ASP A 52 5.517 -9.070 0.086 1.00 0.00 O ATOM 702 CB ASP A 52 2.591 -8.004 0.842 1.00 0.00 C ATOM 703 CG ASP A 52 2.144 -8.293 -0.593 1.00 0.00 C ATOM 704 OD1 ASP A 52 1.233 -9.135 -0.744 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.724 -7.665 -1.505 1.00 0.00 O ATOM 0 H ASP A 52 2.558 -8.649 3.255 1.00 0.00 H new ATOM 0 HA ASP A 52 3.302 -10.027 1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.706 -7.931 1.474 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.081 -7.031 0.865 1.00 0.00 H new ATOM 710 N GLY A 53 5.540 -7.801 1.958 1.00 0.00 N ATOM 711 CA GLY A 53 6.899 -7.329 1.755 1.00 0.00 C ATOM 712 C GLY A 53 6.945 -6.234 0.687 1.00 0.00 C ATOM 713 O GLY A 53 7.465 -5.146 0.930 1.00 0.00 O ATOM 0 H GLY A 53 5.084 -7.441 2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.298 -6.944 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.536 -8.161 1.455 1.00 0.00 H new ATOM 717 N ARG A 54 6.394 -6.560 -0.473 1.00 0.00 N ATOM 718 CA ARG A 54 6.366 -5.618 -1.579 1.00 0.00 C ATOM 719 C ARG A 54 5.789 -4.278 -1.120 1.00 0.00 C ATOM 720 O ARG A 54 6.361 -3.224 -1.397 1.00 0.00 O ATOM 721 CB ARG A 54 5.527 -6.157 -2.739 1.00 0.00 C ATOM 722 CG ARG A 54 6.194 -5.858 -4.083 1.00 0.00 C ATOM 723 CD ARG A 54 6.593 -4.384 -4.182 1.00 0.00 C ATOM 724 NE ARG A 54 7.446 -4.169 -5.371 1.00 0.00 N ATOM 725 CZ ARG A 54 8.774 -4.352 -5.386 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.407 -4.754 -4.276 1.00 0.00 N ATOM 727 NH2 ARG A 54 9.468 -4.132 -6.512 1.00 0.00 N ATOM 0 H ARG A 54 5.963 -7.463 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 54 7.391 -5.477 -1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.393 -7.233 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.534 -5.708 -2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.077 -6.486 -4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.512 -6.109 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.701 -3.761 -4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.128 -4.082 -3.281 1.00 0.00 H new ATOM 0 HE ARG A 54 6.996 -3.862 -6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.879 -4.921 -3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.417 -4.893 -4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.986 -3.825 -7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.478 -4.271 -6.524 1.00 0.00 H new ATOM 741 N LEU A 55 4.663 -4.361 -0.426 1.00 0.00 N ATOM 742 CA LEU A 55 4.003 -3.167 0.074 1.00 0.00 C ATOM 743 C LEU A 55 4.988 -2.363 0.925 1.00 0.00 C ATOM 744 O LEU A 55 5.284 -2.737 2.059 1.00 0.00 O ATOM 745 CB LEU A 55 2.714 -3.537 0.811 1.00 0.00 C ATOM 746 CG LEU A 55 1.504 -3.851 -0.072 1.00 0.00 C ATOM 747 CD1 LEU A 55 0.382 -4.494 0.745 1.00 0.00 C ATOM 748 CD2 LEU A 55 1.028 -2.601 -0.814 1.00 0.00 C ATOM 0 H LEU A 55 4.191 -5.236 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 55 3.698 -2.526 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.915 -4.404 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.450 -2.715 1.476 1.00 0.00 H new ATOM 0 HG LEU A 55 1.810 -4.576 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.466 -4.707 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.741 -5.423 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.070 -3.811 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.167 -2.852 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.744 -1.835 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.833 -2.224 -1.445 1.00 0.00 H new ATOM 760 N SER A 56 5.469 -1.273 0.345 1.00 0.00 N ATOM 761 CA SER A 56 6.414 -0.413 1.036 1.00 0.00 C ATOM 762 C SER A 56 5.710 0.857 1.518 1.00 0.00 C ATOM 763 O SER A 56 4.596 1.154 1.091 1.00 0.00 O ATOM 764 CB SER A 56 7.595 -0.054 0.131 1.00 0.00 C ATOM 765 OG SER A 56 8.305 -1.211 -0.303 1.00 0.00 O ATOM 0 H SER A 56 5.222 -0.966 -0.596 1.00 0.00 H new ATOM 0 HA SER A 56 6.803 -0.955 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.232 0.496 -0.737 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.274 0.609 0.667 1.00 0.00 H new ATOM 0 HG SER A 56 7.683 -1.835 -0.731 1.00 0.00 H new ATOM 771 N LEU A 57 6.390 1.573 2.402 1.00 0.00 N ATOM 772 CA LEU A 57 5.844 2.804 2.947 1.00 0.00 C ATOM 773 C LEU A 57 6.006 3.927 1.920 1.00 0.00 C ATOM 774 O LEU A 57 7.103 4.156 1.413 1.00 0.00 O ATOM 775 CB LEU A 57 6.477 3.117 4.304 1.00 0.00 C ATOM 776 CG LEU A 57 6.291 2.056 5.391 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.521 2.650 6.782 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.921 1.385 5.274 1.00 0.00 C ATOM 0 H LEU A 57 7.314 1.324 2.754 1.00 0.00 H new ATOM 0 HA LEU A 57 4.776 2.695 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.545 3.274 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.063 4.058 4.667 1.00 0.00 H new ATOM 0 HG LEU A 57 7.043 1.281 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.383 1.875 7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.536 3.042 6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.809 3.456 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.815 0.635 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.138 2.136 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.833 0.905 4.299 1.00 0.00 H new ATOM 790 N GLY A 58 4.897 4.598 1.645 1.00 0.00 N ATOM 791 CA GLY A 58 4.902 5.691 0.688 1.00 0.00 C ATOM 792 C GLY A 58 4.239 5.273 -0.626 1.00 0.00 C ATOM 793 O GLY A 58 3.843 6.121 -1.424 1.00 0.00 O ATOM 0 H GLY A 58 3.989 4.406 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.377 6.549 1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.928 6.007 0.497 1.00 0.00 H new ATOM 797 N ASP A 59 4.138 3.964 -0.811 1.00 0.00 N ATOM 798 CA ASP A 59 3.530 3.423 -2.014 1.00 0.00 C ATOM 799 C ASP A 59 2.198 4.131 -2.271 1.00 0.00 C ATOM 800 O ASP A 59 1.607 4.701 -1.354 1.00 0.00 O ATOM 801 CB ASP A 59 3.248 1.927 -1.864 1.00 0.00 C ATOM 802 CG ASP A 59 4.252 1.006 -2.561 1.00 0.00 C ATOM 803 OD1 ASP A 59 4.388 1.147 -3.796 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.861 0.184 -1.843 1.00 0.00 O ATOM 0 H ASP A 59 4.467 3.263 -0.147 1.00 0.00 H new ATOM 0 HA ASP A 59 4.223 3.579 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.229 1.681 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.253 1.719 -2.258 1.00 0.00 H new ATOM 809 N ARG A 60 1.764 4.073 -3.521 1.00 0.00 N ATOM 810 CA ARG A 60 0.513 4.702 -3.909 1.00 0.00 C ATOM 811 C ARG A 60 -0.427 3.670 -4.536 1.00 0.00 C ATOM 812 O ARG A 60 -0.039 2.946 -5.452 1.00 0.00 O ATOM 813 CB ARG A 60 0.753 5.836 -4.908 1.00 0.00 C ATOM 814 CG ARG A 60 -0.542 6.597 -5.196 1.00 0.00 C ATOM 815 CD ARG A 60 -0.424 7.414 -6.484 1.00 0.00 C ATOM 816 NE ARG A 60 -1.462 8.468 -6.511 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.633 9.328 -7.525 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.836 9.263 -8.600 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.601 10.252 -7.464 1.00 0.00 N ATOM 0 H ARG A 60 2.256 3.600 -4.279 1.00 0.00 H new ATOM 0 HA ARG A 60 0.057 5.116 -3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.502 6.522 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.154 5.429 -5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.370 5.893 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.772 7.259 -4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.566 7.865 -6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.534 6.761 -7.350 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.086 8.545 -5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.099 8.559 -8.647 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.966 9.917 -9.372 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.208 10.301 -6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.731 10.906 -8.236 1.00 0.00 H new ATOM 833 N ILE A 61 -1.646 3.636 -4.018 1.00 0.00 N ATOM 834 CA ILE A 61 -2.645 2.705 -4.515 1.00 0.00 C ATOM 835 C ILE A 61 -3.271 3.270 -5.792 1.00 0.00 C ATOM 836 O ILE A 61 -3.285 4.483 -5.997 1.00 0.00 O ATOM 837 CB ILE A 61 -3.665 2.380 -3.422 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.973 2.146 -2.078 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.544 1.194 -3.828 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.135 0.866 -2.107 1.00 0.00 C ATOM 0 H ILE A 61 -1.965 4.238 -3.259 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.182 1.754 -4.780 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.322 3.242 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.335 2.997 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.720 2.078 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.260 0.983 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.080 1.436 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.918 0.317 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.654 0.724 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.780 0.014 -2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.373 0.947 -2.882 1.00 0.00 H new ATOM 852 N LEU A 62 -3.773 2.363 -6.618 1.00 0.00 N ATOM 853 CA LEU A 62 -4.399 2.756 -7.869 1.00 0.00 C ATOM 854 C LEU A 62 -5.786 2.117 -7.963 1.00 0.00 C ATOM 855 O LEU A 62 -6.761 2.788 -8.300 1.00 0.00 O ATOM 856 CB LEU A 62 -3.487 2.422 -9.052 1.00 0.00 C ATOM 857 CG LEU A 62 -2.028 2.862 -8.919 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.199 2.380 -10.111 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.928 4.377 -8.727 1.00 0.00 C ATOM 0 H LEU A 62 -3.759 1.358 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.542 3.836 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.508 1.343 -9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.904 2.882 -9.948 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.610 2.395 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.166 2.706 -9.991 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.232 1.292 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.607 2.798 -11.031 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.880 4.664 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.369 4.883 -9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.464 4.665 -7.823 1.00 0.00 H new ATOM 871 N GLU A 63 -5.831 0.829 -7.658 1.00 0.00 N ATOM 872 CA GLU A 63 -7.083 0.092 -7.704 1.00 0.00 C ATOM 873 C GLU A 63 -7.259 -0.736 -6.429 1.00 0.00 C ATOM 874 O GLU A 63 -6.290 -1.001 -5.719 1.00 0.00 O ATOM 875 CB GLU A 63 -7.152 -0.795 -8.948 1.00 0.00 C ATOM 876 CG GLU A 63 -7.241 0.050 -10.220 1.00 0.00 C ATOM 877 CD GLU A 63 -6.929 -0.791 -11.460 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.200 -2.010 -11.402 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.428 -0.195 -12.438 1.00 0.00 O ATOM 0 H GLU A 63 -5.021 0.276 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.902 0.809 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.270 -1.434 -8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.019 -1.452 -8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.240 0.477 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.542 0.884 -10.157 1.00 0.00 H new ATOM 886 N VAL A 64 -8.501 -1.121 -6.179 1.00 0.00 N ATOM 887 CA VAL A 64 -8.816 -1.914 -5.002 1.00 0.00 C ATOM 888 C VAL A 64 -9.872 -2.960 -5.365 1.00 0.00 C ATOM 889 O VAL A 64 -11.049 -2.634 -5.511 1.00 0.00 O ATOM 890 CB VAL A 64 -9.250 -0.998 -3.856 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.315 -1.673 -2.988 1.00 0.00 C ATOM 892 CG2 VAL A 64 -8.048 -0.568 -3.013 1.00 0.00 C ATOM 0 H VAL A 64 -9.302 -0.899 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.933 -2.451 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.691 -0.102 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.606 -1.001 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.187 -1.906 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.911 -2.593 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.384 0.082 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.565 -1.450 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.337 -0.030 -3.640 1.00 0.00 H new ATOM 902 N ASN A 65 -9.413 -4.195 -5.500 1.00 0.00 N ATOM 903 CA ASN A 65 -10.304 -5.291 -5.842 1.00 0.00 C ATOM 904 C ASN A 65 -10.924 -5.028 -7.216 1.00 0.00 C ATOM 905 O ASN A 65 -12.040 -5.467 -7.492 1.00 0.00 O ATOM 906 CB ASN A 65 -11.441 -5.415 -4.826 1.00 0.00 C ATOM 907 CG ASN A 65 -11.109 -6.459 -3.757 1.00 0.00 C ATOM 908 OD1 ASN A 65 -10.332 -7.375 -3.967 1.00 0.00 O ATOM 909 ND2 ASN A 65 -11.741 -6.269 -2.602 1.00 0.00 N ATOM 0 H ASN A 65 -8.436 -4.461 -5.379 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.721 -6.212 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.618 -4.449 -4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.362 -5.693 -5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.587 -6.912 -1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.379 -5.481 -2.493 1.00 0.00 H new ATOM 916 N GLY A 66 -10.174 -4.313 -8.041 1.00 0.00 N ATOM 917 CA GLY A 66 -10.636 -3.986 -9.380 1.00 0.00 C ATOM 918 C GLY A 66 -11.590 -2.790 -9.353 1.00 0.00 C ATOM 919 O GLY A 66 -12.611 -2.791 -10.039 1.00 0.00 O ATOM 0 H GLY A 66 -9.249 -3.951 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.782 -3.760 -10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.140 -4.849 -9.816 1.00 0.00 H new ATOM 923 N SER A 67 -11.223 -1.798 -8.555 1.00 0.00 N ATOM 924 CA SER A 67 -12.033 -0.598 -8.431 1.00 0.00 C ATOM 925 C SER A 67 -11.147 0.645 -8.536 1.00 0.00 C ATOM 926 O SER A 67 -10.438 0.988 -7.591 1.00 0.00 O ATOM 927 CB SER A 67 -12.805 -0.590 -7.110 1.00 0.00 C ATOM 928 OG SER A 67 -14.102 -0.019 -7.254 1.00 0.00 O ATOM 0 H SER A 67 -10.375 -1.801 -7.988 1.00 0.00 H new ATOM 0 HA SER A 67 -12.758 -0.589 -9.245 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.897 -1.610 -6.738 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.242 -0.028 -6.364 1.00 0.00 H new ATOM 0 HG SER A 67 -14.564 -0.034 -6.390 1.00 0.00 H new ATOM 934 N SER A 68 -11.216 1.285 -9.693 1.00 0.00 N ATOM 935 CA SER A 68 -10.429 2.483 -9.934 1.00 0.00 C ATOM 936 C SER A 68 -10.595 3.461 -8.769 1.00 0.00 C ATOM 937 O SER A 68 -11.691 3.962 -8.526 1.00 0.00 O ATOM 938 CB SER A 68 -10.832 3.151 -11.250 1.00 0.00 C ATOM 939 OG SER A 68 -10.154 2.582 -12.367 1.00 0.00 O ATOM 0 H SER A 68 -11.805 0.997 -10.475 1.00 0.00 H new ATOM 0 HA SER A 68 -9.381 2.194 -10.011 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.908 3.054 -11.391 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.613 4.217 -11.197 1.00 0.00 H new ATOM 0 HG SER A 68 -10.440 3.034 -13.188 1.00 0.00 H new ATOM 945 N LEU A 69 -9.490 3.703 -8.080 1.00 0.00 N ATOM 946 CA LEU A 69 -9.499 4.612 -6.946 1.00 0.00 C ATOM 947 C LEU A 69 -9.094 6.011 -7.417 1.00 0.00 C ATOM 948 O LEU A 69 -8.371 6.719 -6.718 1.00 0.00 O ATOM 949 CB LEU A 69 -8.625 4.067 -5.815 1.00 0.00 C ATOM 950 CG LEU A 69 -9.244 4.095 -4.416 1.00 0.00 C ATOM 951 CD1 LEU A 69 -8.607 3.036 -3.514 1.00 0.00 C ATOM 952 CD2 LEU A 69 -9.157 5.495 -3.806 1.00 0.00 C ATOM 0 H LEU A 69 -8.582 3.286 -8.285 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.503 4.693 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.359 3.037 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.697 4.639 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.302 3.848 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.065 3.077 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.764 2.048 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.538 3.228 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.604 5.487 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.112 5.795 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.693 6.202 -4.439 1.00 0.00 H new ATOM 964 N LEU A 70 -9.579 6.366 -8.597 1.00 0.00 N ATOM 965 CA LEU A 70 -9.277 7.668 -9.169 1.00 0.00 C ATOM 966 C LEU A 70 -10.464 8.606 -8.947 1.00 0.00 C ATOM 967 O LEU A 70 -11.468 8.522 -9.654 1.00 0.00 O ATOM 968 CB LEU A 70 -8.871 7.526 -10.638 1.00 0.00 C ATOM 969 CG LEU A 70 -7.510 6.878 -10.899 1.00 0.00 C ATOM 970 CD1 LEU A 70 -7.395 6.410 -12.351 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.370 7.820 -10.508 1.00 0.00 C ATOM 0 H LEU A 70 -10.179 5.776 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.419 8.115 -8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.634 6.940 -11.150 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.872 8.517 -11.092 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.426 5.993 -10.268 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.418 5.953 -12.510 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.176 5.679 -12.561 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.509 7.264 -13.019 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.414 7.335 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.438 8.737 -11.094 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.444 8.061 -9.448 1.00 0.00 H new ATOM 983 N GLY A 71 -10.312 9.478 -7.961 1.00 0.00 N ATOM 984 CA GLY A 71 -11.360 10.431 -7.637 1.00 0.00 C ATOM 985 C GLY A 71 -12.145 9.983 -6.402 1.00 0.00 C ATOM 986 O GLY A 71 -12.846 10.783 -5.784 1.00 0.00 O ATOM 0 H GLY A 71 -9.479 9.545 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.921 11.412 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.037 10.535 -8.485 1.00 0.00 H new ATOM 990 N LEU A 72 -12.002 8.706 -6.081 1.00 0.00 N ATOM 991 CA LEU A 72 -12.690 8.142 -4.932 1.00 0.00 C ATOM 992 C LEU A 72 -12.131 8.767 -3.652 1.00 0.00 C ATOM 993 O LEU A 72 -10.951 8.609 -3.344 1.00 0.00 O ATOM 994 CB LEU A 72 -12.610 6.614 -4.956 1.00 0.00 C ATOM 995 CG LEU A 72 -13.700 5.898 -5.756 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.636 4.386 -5.538 1.00 0.00 C ATOM 997 CD2 LEU A 72 -15.083 6.467 -5.429 1.00 0.00 C ATOM 0 H LEU A 72 -11.420 8.046 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.752 8.383 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.640 6.327 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.644 6.252 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.520 6.078 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.421 3.901 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.664 4.013 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.777 4.165 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.840 5.941 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.288 6.338 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.108 7.528 -5.677 1.00 0.00 H new ATOM 1009 N GLY A 73 -13.006 9.462 -2.940 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.615 10.112 -1.701 1.00 0.00 C ATOM 1011 C GLY A 73 -12.087 9.091 -0.690 1.00 0.00 C ATOM 1012 O GLY A 73 -12.558 7.956 -0.645 1.00 0.00 O ATOM 0 H GLY A 73 -13.985 9.589 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.847 10.859 -1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.469 10.640 -1.278 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.116 9.532 0.096 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.519 8.671 1.103 1.00 0.00 C ATOM 1018 C TYR A 74 -11.574 7.773 1.752 1.00 0.00 C ATOM 1019 O TYR A 74 -11.375 6.566 1.876 1.00 0.00 O ATOM 1020 CB TYR A 74 -9.938 9.606 2.166 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.477 8.891 3.438 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -10.399 8.533 4.401 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.140 8.604 3.622 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -9.965 7.861 5.598 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -7.706 7.932 4.819 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.640 7.593 5.748 1.00 0.00 C ATOM 1027 OH TYR A 74 -8.230 6.958 6.878 1.00 0.00 O ATOM 0 H TYR A 74 -10.728 10.474 0.056 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.763 8.025 0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.093 10.146 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.690 10.349 2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.446 8.757 4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.419 8.883 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.676 7.576 6.360 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.662 7.702 4.976 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.259 6.832 6.848 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.674 8.397 2.148 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.760 7.669 2.781 1.00 0.00 C ATOM 1039 C LEU A 75 -14.239 6.559 1.843 1.00 0.00 C ATOM 1040 O LEU A 75 -14.237 5.386 2.212 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.869 8.631 3.212 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.681 9.304 4.573 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -15.555 10.554 4.692 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.936 8.317 5.714 1.00 0.00 C ATOM 0 H LEU A 75 -12.836 9.398 2.043 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.414 7.187 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.963 9.409 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.812 8.084 3.226 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.643 9.627 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.402 11.013 5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.283 11.264 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.603 10.277 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.795 8.822 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.957 7.941 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.237 7.484 5.637 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.638 6.969 0.648 1.00 0.00 N ATOM 1057 CA ARG A 76 -15.119 6.024 -0.346 1.00 0.00 C ATOM 1058 C ARG A 76 -14.099 4.901 -0.547 1.00 0.00 C ATOM 1059 O ARG A 76 -14.470 3.735 -0.671 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.376 6.717 -1.685 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.833 7.169 -1.798 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.725 6.029 -2.293 1.00 0.00 C ATOM 1063 NE ARG A 76 -19.133 6.481 -2.363 1.00 0.00 N ATOM 1064 CZ ARG A 76 -20.182 5.655 -2.482 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.988 4.331 -2.545 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -21.424 6.155 -2.538 1.00 0.00 N ATOM 0 H ARG A 76 -14.638 7.943 0.345 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.057 5.606 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.716 7.578 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -15.138 6.036 -2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.186 7.516 -0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.903 8.014 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.392 5.696 -3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.642 5.174 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 76 -19.316 7.483 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -19.042 3.952 -2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.786 3.702 -2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.570 7.163 -2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -22.223 5.527 -2.629 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.833 5.293 -0.574 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.757 4.334 -0.759 1.00 0.00 C ATOM 1082 C ALA A 77 -11.726 3.373 0.431 1.00 0.00 C ATOM 1083 O ALA A 77 -11.563 2.167 0.256 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.434 5.080 -0.940 1.00 0.00 C ATOM 0 H ALA A 77 -12.529 6.261 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.922 3.740 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.627 4.361 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.498 5.727 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.233 5.685 -0.056 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.886 3.944 1.616 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.878 3.153 2.835 1.00 0.00 C ATOM 1092 C VAL A 78 -13.041 2.159 2.800 1.00 0.00 C ATOM 1093 O VAL A 78 -12.867 0.985 3.122 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.915 4.074 4.057 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -11.911 3.264 5.355 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.755 5.070 4.028 1.00 0.00 C ATOM 0 H VAL A 78 -12.022 4.945 1.758 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.957 2.574 2.909 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.845 4.642 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.938 3.943 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.786 2.614 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.007 2.657 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.805 5.712 4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.810 4.528 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.823 5.681 3.128 1.00 0.00 H new ATOM 1106 N ASP A 79 -14.200 2.667 2.407 1.00 0.00 N ATOM 1107 CA ASP A 79 -15.390 1.838 2.326 1.00 0.00 C ATOM 1108 C ASP A 79 -15.129 0.668 1.375 1.00 0.00 C ATOM 1109 O ASP A 79 -15.614 -0.439 1.599 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.579 2.633 1.782 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.928 1.916 1.862 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -18.028 0.986 2.692 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.828 2.313 1.092 1.00 0.00 O ATOM 0 H ASP A 79 -14.340 3.642 2.141 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.622 1.483 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.651 3.572 2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.381 2.887 0.741 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.362 0.955 0.333 1.00 0.00 N ATOM 1119 CA LEU A 80 -14.030 -0.059 -0.653 1.00 0.00 C ATOM 1120 C LEU A 80 -13.235 -1.179 0.021 1.00 0.00 C ATOM 1121 O LEU A 80 -13.625 -2.344 -0.037 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.313 0.570 -1.849 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.212 1.210 -2.909 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.396 1.655 -4.124 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.355 0.271 -3.299 1.00 0.00 C ATOM 0 H LEU A 80 -13.961 1.875 0.150 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.937 -0.509 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.626 1.330 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.708 -0.199 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.663 2.104 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.059 2.106 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.649 2.385 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.898 0.791 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.978 0.751 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.944 -0.654 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.958 0.047 -2.419 1.00 0.00 H new ATOM 1137 N ILE A 81 -12.134 -0.786 0.645 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.280 -1.742 1.329 1.00 0.00 C ATOM 1139 C ILE A 81 -12.002 -2.266 2.572 1.00 0.00 C ATOM 1140 O ILE A 81 -11.521 -3.186 3.232 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.913 -1.122 1.628 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -9.075 -1.002 0.354 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.184 -1.903 2.723 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -9.096 0.430 -0.184 1.00 0.00 C ATOM 0 H ILE A 81 -11.814 0.181 0.691 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.081 -2.601 0.689 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.071 -0.112 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.048 -1.301 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.459 -1.685 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.216 -1.441 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.780 -1.892 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.037 -2.933 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.492 0.487 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.122 0.718 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.688 1.107 0.567 1.00 0.00 H new ATOM 1156 N ARG A 82 -13.145 -1.658 2.853 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.939 -2.053 4.005 1.00 0.00 C ATOM 1158 C ARG A 82 -14.906 -3.175 3.624 1.00 0.00 C ATOM 1159 O ARG A 82 -14.967 -4.202 4.298 1.00 0.00 O ATOM 1160 CB ARG A 82 -14.734 -0.868 4.557 1.00 0.00 C ATOM 1161 CG ARG A 82 -15.782 -1.335 5.570 1.00 0.00 C ATOM 1162 CD ARG A 82 -16.638 -0.164 6.053 1.00 0.00 C ATOM 1163 NE ARG A 82 -17.984 -0.645 6.437 1.00 0.00 N ATOM 1164 CZ ARG A 82 -18.902 0.108 7.059 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -18.625 1.381 7.371 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -20.097 -0.413 7.369 1.00 0.00 N ATOM 0 H ARG A 82 -13.540 -0.895 2.303 1.00 0.00 H new ATOM 0 HA ARG A 82 -13.254 -2.407 4.775 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.055 -0.159 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.224 -0.341 3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.420 -2.093 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.287 -1.803 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.159 0.320 6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.721 0.585 5.266 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.228 -1.610 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.715 1.778 7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.324 1.954 7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.308 -1.382 7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.796 0.160 7.842 1.00 0.00 H new ATOM 1180 N HIS A 83 -15.638 -2.941 2.545 1.00 0.00 N ATOM 1181 CA HIS A 83 -16.600 -3.919 2.066 1.00 0.00 C ATOM 1182 C HIS A 83 -15.941 -4.816 1.016 1.00 0.00 C ATOM 1183 O HIS A 83 -16.613 -5.332 0.125 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.864 -3.230 1.548 1.00 0.00 C ATOM 1185 CG HIS A 83 -18.752 -2.676 2.636 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -19.482 -1.510 2.487 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -19.019 -3.140 3.891 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -20.155 -1.291 3.608 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -19.866 -2.303 4.476 1.00 0.00 N ATOM 0 H HIS A 83 -15.584 -2.088 1.988 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.916 -4.557 2.891 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.575 -2.418 0.881 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -18.436 -3.943 0.954 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -19.499 -0.919 1.656 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -18.610 -4.037 4.333 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -20.815 -0.458 3.800 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.633 -4.974 1.157 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.875 -5.799 0.232 1.00 0.00 C ATOM 1199 C GLY A 84 -14.375 -7.245 0.250 1.00 0.00 C ATOM 1200 O GLY A 84 -15.579 -7.488 0.322 1.00 0.00 O ATOM 0 H GLY A 84 -14.079 -4.545 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.960 -5.394 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.818 -5.773 0.498 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.426 -8.167 0.185 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.755 -9.582 0.193 1.00 0.00 C ATOM 1206 C GLY A 85 -12.667 -10.394 0.898 1.00 0.00 C ATOM 1207 O GLY A 85 -11.855 -9.840 1.638 1.00 0.00 O ATOM 0 H GLY A 85 -12.429 -7.962 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.710 -9.734 0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.873 -9.937 -0.831 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.685 -11.694 0.643 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.710 -12.588 1.244 1.00 0.00 C ATOM 1213 C LYS A 86 -10.340 -12.344 0.607 1.00 0.00 C ATOM 1214 O LYS A 86 -9.309 -12.557 1.243 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.183 -14.040 1.148 1.00 0.00 C ATOM 1216 CG LYS A 86 -11.348 -14.950 2.051 1.00 0.00 C ATOM 1217 CD LYS A 86 -12.132 -16.204 2.441 1.00 0.00 C ATOM 1218 CE LYS A 86 -12.161 -16.381 3.961 1.00 0.00 C ATOM 1219 NZ LYS A 86 -12.363 -17.805 4.312 1.00 0.00 N ATOM 0 H LYS A 86 -13.359 -12.150 0.028 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.609 -12.380 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.233 -14.104 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.112 -14.382 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.430 -15.236 1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.054 -14.407 2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.151 -16.134 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.678 -17.080 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.227 -16.023 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.962 -15.778 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.380 -17.908 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.266 -18.135 3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.585 -18.373 3.920 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.374 -11.900 -0.641 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.149 -11.624 -1.371 1.00 0.00 C ATOM 1235 C LYS A 87 -9.102 -10.140 -1.740 1.00 0.00 C ATOM 1236 O LYS A 87 -9.850 -9.689 -2.607 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.019 -12.562 -2.573 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.195 -13.800 -2.217 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.396 -14.909 -3.252 1.00 0.00 C ATOM 1240 CE LYS A 87 -9.041 -16.142 -2.616 1.00 0.00 C ATOM 1241 NZ LYS A 87 -10.277 -16.513 -3.342 1.00 0.00 N ATOM 0 H LYS A 87 -11.231 -11.725 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.279 -11.824 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.010 -12.865 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.548 -12.033 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.139 -13.535 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.484 -14.162 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.024 -14.544 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.436 -15.181 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.339 -16.976 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.273 -15.940 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.702 -17.352 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.952 -15.722 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.047 -16.726 -4.334 1.00 0.00 H new ATOM 1255 N MET A 88 -8.217 -9.422 -1.064 1.00 0.00 N ATOM 1256 CA MET A 88 -8.064 -7.999 -1.311 1.00 0.00 C ATOM 1257 C MET A 88 -6.942 -7.734 -2.317 1.00 0.00 C ATOM 1258 O MET A 88 -5.787 -8.072 -2.067 1.00 0.00 O ATOM 1259 CB MET A 88 -7.749 -7.284 0.005 1.00 0.00 C ATOM 1260 CG MET A 88 -8.910 -7.417 0.993 1.00 0.00 C ATOM 1261 SD MET A 88 -10.350 -6.573 0.361 1.00 0.00 S ATOM 1262 CE MET A 88 -9.616 -5.013 -0.103 1.00 0.00 C ATOM 0 H MET A 88 -7.599 -9.799 -0.346 1.00 0.00 H new ATOM 0 HA MET A 88 -8.997 -7.619 -1.728 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.844 -7.704 0.444 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.550 -6.230 -0.188 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.139 -8.470 1.158 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.627 -6.997 1.958 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.403 -4.290 -0.318 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.998 -4.644 0.715 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.998 -5.151 -0.990 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.323 -7.131 -3.434 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.364 -6.818 -4.479 1.00 0.00 C ATOM 1274 C ARG A 89 -6.149 -5.305 -4.566 1.00 0.00 C ATOM 1275 O ARG A 89 -7.111 -4.540 -4.625 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.840 -7.337 -5.838 1.00 0.00 C ATOM 1277 CG ARG A 89 -5.863 -6.943 -6.948 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.509 -7.097 -8.326 1.00 0.00 C ATOM 1279 NE ARG A 89 -5.916 -6.127 -9.274 1.00 0.00 N ATOM 1280 CZ ARG A 89 -6.175 -6.107 -10.588 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -7.018 -7.003 -11.119 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -5.591 -5.191 -11.372 1.00 0.00 N ATOM 0 H ARG A 89 -8.283 -6.851 -3.638 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.425 -7.309 -4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.938 -8.422 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.829 -6.935 -6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.542 -5.911 -6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.970 -7.565 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.363 -8.113 -8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.584 -6.936 -8.253 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.270 -5.430 -8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.463 -7.701 -10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.215 -6.987 -12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.949 -4.509 -10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.788 -5.176 -12.373 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.882 -4.919 -4.570 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.528 -3.512 -4.648 1.00 0.00 C ATOM 1298 C PHE A 90 -3.501 -3.265 -5.755 1.00 0.00 C ATOM 1299 O PHE A 90 -2.499 -3.972 -5.846 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.911 -3.130 -3.301 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.765 -3.519 -2.093 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.987 -2.952 -1.913 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.301 -4.433 -1.199 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.780 -3.313 -0.791 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.093 -4.794 -0.077 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.316 -4.227 0.103 1.00 0.00 C ATOM 0 H PHE A 90 -4.087 -5.556 -4.520 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.414 -2.918 -4.873 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.935 -3.607 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.743 -2.053 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.355 -2.227 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.330 -4.884 -1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.751 -2.862 -0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.724 -5.519 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.919 -4.502 0.956 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.786 -2.259 -6.569 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.899 -1.910 -7.666 1.00 0.00 C ATOM 1318 C LEU A 91 -2.063 -0.691 -7.272 1.00 0.00 C ATOM 1319 O LEU A 91 -2.464 0.446 -7.514 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.696 -1.717 -8.958 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.873 -1.604 -10.243 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -2.016 -2.853 -10.457 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.772 -1.313 -11.446 1.00 0.00 C ATOM 0 H LEU A 91 -4.618 -1.675 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.202 -2.724 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.386 -2.554 -9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.301 -0.816 -8.857 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.191 -0.760 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.441 -2.747 -11.377 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.334 -2.975 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.661 -3.728 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.162 -1.238 -12.346 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.495 -2.120 -11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.301 -0.373 -11.286 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.915 -0.970 -6.671 1.00 0.00 N ATOM 1336 CA VAL A 92 -0.019 0.090 -6.241 1.00 0.00 C ATOM 1337 C VAL A 92 1.130 0.218 -7.244 1.00 0.00 C ATOM 1338 O VAL A 92 1.437 -0.729 -7.966 1.00 0.00 O ATOM 1339 CB VAL A 92 0.461 -0.178 -4.813 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.459 -1.677 -4.506 1.00 0.00 C ATOM 1341 CG2 VAL A 92 1.846 0.428 -4.578 1.00 0.00 C ATOM 0 H VAL A 92 -0.585 -1.914 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.541 1.047 -6.220 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.237 0.305 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.804 -1.840 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.552 -2.069 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.124 -2.191 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.164 0.223 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.559 -0.013 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.803 1.506 -4.736 1.00 0.00 H new ATOM 1351 N ALA A 93 1.733 1.398 -7.256 1.00 0.00 N ATOM 1352 CA ALA A 93 2.841 1.662 -8.158 1.00 0.00 C ATOM 1353 C ALA A 93 4.116 1.885 -7.342 1.00 0.00 C ATOM 1354 O ALA A 93 4.067 2.445 -6.248 1.00 0.00 O ATOM 1355 CB ALA A 93 2.501 2.861 -9.047 1.00 0.00 C ATOM 0 H ALA A 93 1.475 2.181 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 93 3.014 0.808 -8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.332 3.059 -9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.605 2.641 -9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.324 3.737 -8.424 1.00 0.00 H new ATOM 1361 N LYS A 94 5.227 1.435 -7.905 1.00 0.00 N ATOM 1362 CA LYS A 94 6.513 1.577 -7.243 1.00 0.00 C ATOM 1363 C LYS A 94 6.970 3.034 -7.336 1.00 0.00 C ATOM 1364 O LYS A 94 7.561 3.441 -8.336 1.00 0.00 O ATOM 1365 CB LYS A 94 7.522 0.578 -7.812 1.00 0.00 C ATOM 1366 CG LYS A 94 7.973 -0.416 -6.740 1.00 0.00 C ATOM 1367 CD LYS A 94 9.010 0.215 -5.809 1.00 0.00 C ATOM 1368 CE LYS A 94 10.385 0.274 -6.478 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.339 -0.617 -5.781 1.00 0.00 N ATOM 0 H LYS A 94 5.264 0.971 -8.813 1.00 0.00 H new ATOM 0 HA LYS A 94 6.425 1.337 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.074 0.039 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.387 1.113 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.111 -0.746 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.396 -1.301 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.692 1.221 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.075 -0.362 -4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.300 -0.021 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.759 1.298 -6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.267 -0.565 -6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.433 -0.318 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.989 -1.596 -5.815 1.00 0.00 H new ATOM 1383 N SER A 95 6.680 3.781 -6.281 1.00 0.00 N ATOM 1384 CA SER A 95 7.054 5.184 -6.231 1.00 0.00 C ATOM 1385 C SER A 95 8.536 5.318 -5.873 1.00 0.00 C ATOM 1386 O SER A 95 9.196 4.326 -5.567 1.00 0.00 O ATOM 1387 CB SER A 95 6.194 5.948 -5.223 1.00 0.00 C ATOM 1388 OG SER A 95 6.486 5.574 -3.879 1.00 0.00 O ATOM 0 H SER A 95 6.190 3.441 -5.454 1.00 0.00 H new ATOM 0 HA SER A 95 6.883 5.618 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.358 7.019 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.140 5.761 -5.430 1.00 0.00 H new ATOM 0 HG SER A 95 5.917 6.085 -3.266 1.00 0.00 H new ATOM 1394 N ASP A 96 9.015 6.552 -5.924 1.00 0.00 N ATOM 1395 CA ASP A 96 10.406 6.829 -5.609 1.00 0.00 C ATOM 1396 C ASP A 96 10.540 7.109 -4.111 1.00 0.00 C ATOM 1397 O ASP A 96 9.539 7.214 -3.404 1.00 0.00 O ATOM 1398 CB ASP A 96 10.909 8.059 -6.367 1.00 0.00 C ATOM 1399 CG ASP A 96 11.568 7.763 -7.715 1.00 0.00 C ATOM 1400 OD1 ASP A 96 12.794 7.520 -7.706 1.00 0.00 O ATOM 1401 OD2 ASP A 96 10.832 7.786 -8.725 1.00 0.00 O ATOM 0 H ASP A 96 8.464 7.372 -6.179 1.00 0.00 H new ATOM 0 HA ASP A 96 10.996 5.960 -5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.069 8.735 -6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.625 8.587 -5.738 1.00 0.00 H new ATOM 1406 N VAL A 97 11.784 7.223 -3.671 1.00 0.00 N ATOM 1407 CA VAL A 97 12.061 7.489 -2.270 1.00 0.00 C ATOM 1408 C VAL A 97 11.477 8.851 -1.889 1.00 0.00 C ATOM 1409 O VAL A 97 10.778 8.972 -0.884 1.00 0.00 O ATOM 1410 CB VAL A 97 13.565 7.389 -2.006 1.00 0.00 C ATOM 1411 CG1 VAL A 97 14.078 5.975 -2.289 1.00 0.00 C ATOM 1412 CG2 VAL A 97 14.336 8.426 -2.824 1.00 0.00 C ATOM 0 H VAL A 97 12.612 7.136 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 97 11.583 6.741 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 97 13.735 7.602 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.149 5.931 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.562 5.265 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.889 5.721 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.402 8.333 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.156 8.259 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 97 14.000 9.427 -2.552 1.00 0.00 H new ATOM 1422 N GLU A 98 11.786 9.843 -2.712 1.00 0.00 N ATOM 1423 CA GLU A 98 11.300 11.191 -2.474 1.00 0.00 C ATOM 1424 C GLU A 98 9.823 11.161 -2.076 1.00 0.00 C ATOM 1425 O GLU A 98 9.481 11.428 -0.925 1.00 0.00 O ATOM 1426 CB GLU A 98 11.519 12.078 -3.702 1.00 0.00 C ATOM 1427 CG GLU A 98 13.011 12.251 -3.994 1.00 0.00 C ATOM 1428 CD GLU A 98 13.310 12.016 -5.476 1.00 0.00 C ATOM 1429 OE1 GLU A 98 13.120 12.977 -6.252 1.00 0.00 O ATOM 1430 OE2 GLU A 98 13.722 10.881 -5.799 1.00 0.00 O ATOM 0 H GLU A 98 12.367 9.740 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 98 11.869 11.621 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.024 11.636 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.062 13.053 -3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.327 13.255 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.587 11.552 -3.388 1.00 0.00 H new ATOM 1437 N THR A 99 8.987 10.833 -3.050 1.00 0.00 N ATOM 1438 CA THR A 99 7.555 10.765 -2.816 1.00 0.00 C ATOM 1439 C THR A 99 7.266 10.100 -1.468 1.00 0.00 C ATOM 1440 O THR A 99 6.405 10.557 -0.718 1.00 0.00 O ATOM 1441 CB THR A 99 6.916 10.038 -4.001 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.758 11.054 -4.987 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.486 9.580 -3.706 1.00 0.00 C ATOM 0 H THR A 99 9.274 10.611 -4.003 1.00 0.00 H new ATOM 0 HA THR A 99 7.117 11.761 -2.753 1.00 0.00 H new ATOM 0 HB THR A 99 7.526 9.175 -4.268 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.351 10.669 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.080 9.070 -4.580 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.491 8.897 -2.857 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.868 10.446 -3.471 1.00 0.00 H new ATOM 1451 N ALA A 100 8.003 9.031 -1.202 1.00 0.00 N ATOM 1452 CA ALA A 100 7.837 8.299 0.042 1.00 0.00 C ATOM 1453 C ALA A 100 8.260 9.189 1.213 1.00 0.00 C ATOM 1454 O ALA A 100 7.514 9.348 2.178 1.00 0.00 O ATOM 1455 CB ALA A 100 8.638 6.997 -0.021 1.00 0.00 C ATOM 0 H ALA A 100 8.716 8.655 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 100 6.791 8.031 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.514 6.448 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.279 6.389 -0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.693 7.226 -0.169 1.00 0.00 H new ATOM 1461 N LYS A 101 9.456 9.745 1.089 1.00 0.00 N ATOM 1462 CA LYS A 101 9.987 10.614 2.125 1.00 0.00 C ATOM 1463 C LYS A 101 8.894 11.581 2.584 1.00 0.00 C ATOM 1464 O LYS A 101 8.674 11.752 3.782 1.00 0.00 O ATOM 1465 CB LYS A 101 11.260 11.311 1.639 1.00 0.00 C ATOM 1466 CG LYS A 101 12.394 10.304 1.437 1.00 0.00 C ATOM 1467 CD LYS A 101 13.759 10.982 1.565 1.00 0.00 C ATOM 1468 CE LYS A 101 14.891 9.996 1.268 1.00 0.00 C ATOM 1469 NZ LYS A 101 16.154 10.454 1.889 1.00 0.00 N ATOM 0 H LYS A 101 10.072 9.611 0.287 1.00 0.00 H new ATOM 0 HA LYS A 101 10.283 10.030 2.997 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.059 11.831 0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.564 12.066 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.311 9.505 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.304 9.842 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.816 11.825 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.877 11.384 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.630 9.008 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.023 9.899 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.912 9.774 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.410 11.387 1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.029 10.524 2.919 1.00 0.00 H new ATOM 1483 N LYS A 102 8.238 12.189 1.607 1.00 0.00 N ATOM 1484 CA LYS A 102 7.173 13.134 1.895 1.00 0.00 C ATOM 1485 C LYS A 102 6.221 12.525 2.927 1.00 0.00 C ATOM 1486 O LYS A 102 5.735 13.222 3.817 1.00 0.00 O ATOM 1487 CB LYS A 102 6.480 13.572 0.603 1.00 0.00 C ATOM 1488 CG LYS A 102 7.102 14.858 0.056 1.00 0.00 C ATOM 1489 CD LYS A 102 8.075 14.554 -1.085 1.00 0.00 C ATOM 1490 CE LYS A 102 9.334 15.416 -0.977 1.00 0.00 C ATOM 1491 NZ LYS A 102 10.016 15.505 -2.287 1.00 0.00 N ATOM 0 H LYS A 102 8.424 12.045 0.614 1.00 0.00 H new ATOM 0 HA LYS A 102 7.581 14.044 2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.558 12.780 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.418 13.729 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.316 15.524 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.626 15.382 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.349 13.499 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.587 14.736 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.069 16.415 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.011 14.990 -0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.045 15.551 -2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.785 14.666 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.699 16.361 -2.786 1.00 0.00 H new ATOM 1505 N ILE A 103 5.984 11.230 2.774 1.00 0.00 N ATOM 1506 CA ILE A 103 5.099 10.519 3.681 1.00 0.00 C ATOM 1507 C ILE A 103 5.792 10.352 5.035 1.00 0.00 C ATOM 1508 O ILE A 103 5.139 10.368 6.077 1.00 0.00 O ATOM 1509 CB ILE A 103 4.641 9.200 3.058 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.175 9.407 1.615 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.565 8.532 3.917 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.674 9.700 1.560 1.00 0.00 C ATOM 0 H ILE A 103 6.390 10.655 2.036 1.00 0.00 H new ATOM 0 HA ILE A 103 4.190 11.094 3.856 1.00 0.00 H new ATOM 0 HB ILE A 103 5.495 8.523 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.727 10.233 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.397 8.517 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.257 7.596 3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.966 8.329 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.704 9.195 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.369 9.843 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.124 8.862 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.459 10.604 2.130 1.00 0.00 H new ATOM 1524 N HIS A 104 7.107 10.195 4.976 1.00 0.00 N ATOM 1525 CA HIS A 104 7.895 10.025 6.184 1.00 0.00 C ATOM 1526 C HIS A 104 8.063 11.376 6.882 1.00 0.00 C ATOM 1527 O HIS A 104 7.479 11.610 7.939 1.00 0.00 O ATOM 1528 CB HIS A 104 9.231 9.349 5.871 1.00 0.00 C ATOM 1529 CG HIS A 104 9.137 7.852 5.698 1.00 0.00 C ATOM 1530 ND1 HIS A 104 10.126 6.984 6.127 1.00 0.00 N ATOM 1531 CD2 HIS A 104 8.162 7.079 5.140 1.00 0.00 C ATOM 1532 CE1 HIS A 104 9.752 5.747 5.835 1.00 0.00 C ATOM 1533 NE2 HIS A 104 8.535 5.808 5.223 1.00 0.00 N ATOM 0 H HIS A 104 7.646 10.182 4.110 1.00 0.00 H new ATOM 0 HA HIS A 104 7.372 9.362 6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.642 9.784 4.960 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.934 9.568 6.675 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.995 7.251 6.589 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.242 7.440 4.704 1.00 0.00 H new ATOM 0 HE1 HIS A 104 10.313 4.848 6.045 1.00 0.00 H new ATOM 1541 N SER A 105 8.864 12.230 6.262 1.00 0.00 N ATOM 1542 CA SER A 105 9.117 13.552 6.811 1.00 0.00 C ATOM 1543 C SER A 105 9.898 14.396 5.802 1.00 0.00 C ATOM 1544 O SER A 105 11.127 14.350 5.768 1.00 0.00 O ATOM 1545 CB SER A 105 9.881 13.463 8.133 1.00 0.00 C ATOM 1546 OG SER A 105 9.338 14.333 9.123 1.00 0.00 O ATOM 0 H SER A 105 9.346 12.033 5.385 1.00 0.00 H new ATOM 0 HA SER A 105 8.157 14.029 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.855 12.436 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.928 13.714 7.964 1.00 0.00 H new ATOM 0 HG SER A 105 9.852 14.246 9.953 1.00 0.00 H new ATOM 1552 N GLY A 106 9.153 15.148 5.005 1.00 0.00 N ATOM 1553 CA GLY A 106 9.761 16.002 3.998 1.00 0.00 C ATOM 1554 C GLY A 106 11.029 16.668 4.537 1.00 0.00 C ATOM 1555 O GLY A 106 10.999 17.313 5.583 1.00 0.00 O ATOM 0 H GLY A 106 8.134 15.184 5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.003 15.412 3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.049 16.766 3.686 1.00 0.00 H new ATOM 1559 N PRO A 107 12.142 16.484 3.777 1.00 0.00 N ATOM 1560 CA PRO A 107 13.418 17.059 4.167 1.00 0.00 C ATOM 1561 C PRO A 107 13.444 18.566 3.902 1.00 0.00 C ATOM 1562 O PRO A 107 12.710 19.062 3.048 1.00 0.00 O ATOM 1563 CB PRO A 107 14.456 16.296 3.361 1.00 0.00 C ATOM 1564 CG PRO A 107 13.699 15.647 2.214 1.00 0.00 C ATOM 1565 CD PRO A 107 12.215 15.726 2.531 1.00 0.00 C ATOM 0 HA PRO A 107 13.614 16.964 5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.231 16.966 2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 107 14.953 15.545 3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 107 13.917 16.157 1.276 1.00 0.00 H new ATOM 0 HG3 PRO A 107 14.008 14.609 2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.665 16.224 1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.781 14.733 2.646 1.00 0.00 H new ATOM 1573 N SER A 108 14.297 19.251 4.648 1.00 0.00 N ATOM 1574 CA SER A 108 14.428 20.691 4.505 1.00 0.00 C ATOM 1575 C SER A 108 15.510 21.018 3.474 1.00 0.00 C ATOM 1576 O SER A 108 16.668 21.231 3.830 1.00 0.00 O ATOM 1577 CB SER A 108 14.756 21.351 5.845 1.00 0.00 C ATOM 1578 OG SER A 108 14.475 22.748 5.836 1.00 0.00 O ATOM 0 H SER A 108 14.905 18.836 5.354 1.00 0.00 H new ATOM 0 HA SER A 108 13.473 21.088 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 108 14.180 20.871 6.636 1.00 0.00 H new ATOM 0 HB3 SER A 108 15.809 21.195 6.078 1.00 0.00 H new ATOM 0 HG SER A 108 14.697 23.132 6.710 1.00 0.00 H new ATOM 1584 N SER A 109 15.095 21.046 2.216 1.00 0.00 N ATOM 1585 CA SER A 109 16.015 21.343 1.131 1.00 0.00 C ATOM 1586 C SER A 109 16.166 22.857 0.972 1.00 0.00 C ATOM 1587 O SER A 109 15.208 23.604 1.170 1.00 0.00 O ATOM 1588 CB SER A 109 15.539 20.716 -0.182 1.00 0.00 C ATOM 1589 OG SER A 109 16.518 19.847 -0.744 1.00 0.00 O ATOM 0 H SER A 109 14.134 20.868 1.924 1.00 0.00 H new ATOM 0 HA SER A 109 16.985 20.912 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.619 20.159 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.302 21.505 -0.896 1.00 0.00 H new ATOM 0 HG SER A 109 16.176 19.466 -1.579 1.00 0.00 H new ATOM 1595 N GLY A 110 17.375 23.265 0.616 1.00 0.00 N ATOM 1596 CA GLY A 110 17.663 24.677 0.429 1.00 0.00 C ATOM 1597 C GLY A 110 18.560 24.896 -0.792 1.00 0.00 C ATOM 1598 O GLY A 110 18.510 25.951 -1.422 1.00 0.00 O ATOM 0 H GLY A 110 18.166 22.643 0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.731 25.229 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 110 18.151 25.073 1.319 1.00 0.00 H new TER 1602 GLY A 110