USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 822 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 HIS : no HD1:sc= -0.0639 X(o=-0.064,f=-0.0026) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 45:sc= 0.774 USER MOD Single : A 9 SER OG : rot -43:sc= 0.964 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.038 (180deg=-0.33) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 25 SER OG : rot -37:sc= 1.03 USER MOD Single : A 26 SER OG : rot -13:sc= 0.659 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -72:sc= 0.497 USER MOD Single : A 40 THR OG1 : rot -18:sc= 0.803 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.0417 (180deg=-0.356) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0625 USER MOD Single : A 55 SER OG : rot -160:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.475 K(o=-0.47,f=-2.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.12 F(o=-7.4!,f=-1.1) USER MOD Single : A 78 GLN : amide:sc= -0.562 K(o=-0.56,f=-1.9) USER MOD Single : A 80 MET CE :methyl -114:sc= -2.89! (180deg=-4.17!) USER MOD Single : A 82 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.66) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.732 K(o=-0.73,f=-1.6) USER MOD Single : A 94 ASN :FLIP amide:sc= 0.186 F(o=-1.1,f=0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.088 -10.240 10.040 1.00 7.92 N ATOM 2 CA GLY A 1 -2.136 -11.244 9.716 1.00 7.68 C ATOM 3 C GLY A 1 -3.453 -10.603 9.327 1.00 6.86 C ATOM 4 O GLY A 1 -3.499 -9.757 8.435 1.00 7.03 O ATOM 0 H1 GLY A 1 -0.207 -10.729 10.300 1.00 7.92 H new ATOM 0 H2 GLY A 1 -0.917 -9.636 9.211 1.00 7.92 H new ATOM 0 H3 GLY A 1 -1.405 -9.652 10.837 1.00 7.92 H new ATOM 0 HA2 GLY A 1 -1.788 -11.877 8.899 1.00 7.68 H new ATOM 0 HA3 GLY A 1 -2.292 -11.893 10.578 1.00 7.68 H new ATOM 10 N SER A 2 -4.525 -11.005 10.002 1.00 6.24 N ATOM 11 CA SER A 2 -5.852 -10.466 9.724 1.00 5.73 C ATOM 12 C SER A 2 -6.626 -10.231 11.016 1.00 4.62 C ATOM 13 O SER A 2 -6.564 -11.040 11.942 1.00 4.63 O ATOM 14 CB SER A 2 -6.629 -11.418 8.813 1.00 6.38 C ATOM 15 OG SER A 2 -5.957 -11.606 7.580 1.00 7.18 O ATOM 0 H SER A 2 -4.501 -11.703 10.746 1.00 6.24 H new ATOM 0 HA SER A 2 -5.731 -9.508 9.218 1.00 5.73 H new ATOM 0 HB2 SER A 2 -6.757 -12.379 9.311 1.00 6.38 H new ATOM 0 HB3 SER A 2 -7.626 -11.018 8.630 1.00 6.38 H new ATOM 0 HG SER A 2 -6.473 -12.220 7.016 1.00 7.18 H new ATOM 21 N HIS A 3 -7.355 -9.122 11.069 1.00 4.05 N ATOM 22 CA HIS A 3 -8.140 -8.777 12.247 1.00 3.23 C ATOM 23 C HIS A 3 -9.090 -7.621 11.948 1.00 2.51 C ATOM 24 O HIS A 3 -8.685 -6.457 11.951 1.00 2.56 O ATOM 25 CB HIS A 3 -7.214 -8.408 13.409 1.00 3.35 C ATOM 26 CG HIS A 3 -7.935 -8.162 14.697 1.00 4.25 C ATOM 27 ND1 HIS A 3 -8.058 -9.118 15.684 1.00 4.88 N ATOM 28 CD2 HIS A 3 -8.573 -7.061 15.160 1.00 5.02 C ATOM 29 CE1 HIS A 3 -8.741 -8.616 16.697 1.00 5.81 C ATOM 30 NE2 HIS A 3 -9.063 -7.369 16.405 1.00 5.91 N ATOM 0 H HIS A 3 -7.418 -8.446 10.308 1.00 4.05 H new ATOM 0 HA HIS A 3 -8.735 -9.647 12.527 1.00 3.23 H new ATOM 0 HB2 HIS A 3 -6.491 -9.211 13.555 1.00 3.35 H new ATOM 0 HB3 HIS A 3 -6.649 -7.515 13.142 1.00 3.35 H new ATOM 0 HD2 HIS A 3 -8.677 -6.117 14.646 1.00 5.02 H new ATOM 0 HE1 HIS A 3 -8.993 -9.137 17.609 1.00 5.81 H new ATOM 0 HE2 HIS A 3 -9.590 -6.737 17.007 1.00 5.91 H new ATOM 39 N GLY A 4 -10.351 -7.947 11.691 1.00 2.45 N ATOM 40 CA GLY A 4 -11.337 -6.924 11.393 1.00 2.34 C ATOM 41 C GLY A 4 -12.355 -7.382 10.367 1.00 2.00 C ATOM 42 O GLY A 4 -13.226 -8.198 10.669 1.00 2.37 O ATOM 0 H GLY A 4 -10.709 -8.902 11.683 1.00 2.45 H new ATOM 0 HA2 GLY A 4 -11.852 -6.642 12.311 1.00 2.34 H new ATOM 0 HA3 GLY A 4 -10.831 -6.032 11.025 1.00 2.34 H new ATOM 46 N TYR A 5 -12.245 -6.854 9.152 1.00 1.70 N ATOM 47 CA TYR A 5 -13.164 -7.212 8.077 1.00 1.43 C ATOM 48 C TYR A 5 -12.921 -8.643 7.610 1.00 1.39 C ATOM 49 O TYR A 5 -11.786 -9.121 7.608 1.00 1.60 O ATOM 50 CB TYR A 5 -13.009 -6.243 6.903 1.00 1.42 C ATOM 51 CG TYR A 5 -13.206 -4.793 7.280 1.00 1.57 C ATOM 52 CD1 TYR A 5 -14.470 -4.216 7.259 1.00 1.63 C ATOM 53 CD2 TYR A 5 -12.128 -4.000 7.656 1.00 1.84 C ATOM 54 CE1 TYR A 5 -14.654 -2.890 7.601 1.00 1.86 C ATOM 55 CE2 TYR A 5 -12.306 -2.673 8.000 1.00 2.07 C ATOM 56 CZ TYR A 5 -13.567 -2.124 7.975 1.00 2.04 C ATOM 57 OH TYR A 5 -13.750 -0.803 8.315 1.00 2.33 O ATOM 0 H TYR A 5 -11.529 -6.177 8.887 1.00 1.70 H new ATOM 0 HA TYR A 5 -14.182 -7.144 8.462 1.00 1.43 H new ATOM 0 HB2 TYR A 5 -12.015 -6.365 6.472 1.00 1.42 H new ATOM 0 HB3 TYR A 5 -13.728 -6.508 6.128 1.00 1.42 H new ATOM 0 HD1 TYR A 5 -15.322 -4.814 6.971 1.00 1.63 H new ATOM 0 HD2 TYR A 5 -11.136 -4.427 7.680 1.00 1.84 H new ATOM 0 HE1 TYR A 5 -15.642 -2.455 7.576 1.00 1.86 H new ATOM 0 HE2 TYR A 5 -11.458 -2.069 8.287 1.00 2.07 H new ATOM 0 HH TYR A 5 -12.887 -0.404 8.555 1.00 2.33 H new ATOM 67 N SER A 6 -13.995 -9.323 7.218 1.00 1.46 N ATOM 68 CA SER A 6 -13.901 -10.700 6.748 1.00 1.51 C ATOM 69 C SER A 6 -14.801 -10.929 5.538 1.00 1.40 C ATOM 70 O SER A 6 -16.000 -11.172 5.681 1.00 1.78 O ATOM 71 CB SER A 6 -14.278 -11.671 7.869 1.00 1.86 C ATOM 72 OG SER A 6 -15.594 -11.427 8.335 1.00 2.59 O ATOM 0 H SER A 6 -14.941 -8.941 7.217 1.00 1.46 H new ATOM 0 HA SER A 6 -12.869 -10.883 6.448 1.00 1.51 H new ATOM 0 HB2 SER A 6 -14.201 -12.696 7.507 1.00 1.86 H new ATOM 0 HB3 SER A 6 -13.572 -11.571 8.694 1.00 1.86 H new ATOM 0 HG SER A 6 -16.194 -11.301 7.570 1.00 2.59 H new ATOM 78 N ASP A 7 -14.213 -10.848 4.347 1.00 1.22 N ATOM 79 CA ASP A 7 -14.956 -11.046 3.105 1.00 1.25 C ATOM 80 C ASP A 7 -16.153 -10.103 3.028 1.00 1.28 C ATOM 81 O ASP A 7 -17.210 -10.466 2.511 1.00 1.58 O ATOM 82 CB ASP A 7 -15.423 -12.499 2.992 1.00 1.48 C ATOM 83 CG ASP A 7 -14.267 -13.480 3.013 1.00 1.96 C ATOM 84 OD1 ASP A 7 -13.861 -13.894 4.119 1.00 2.67 O ATOM 85 OD2 ASP A 7 -13.767 -13.832 1.924 1.00 2.10 O ATOM 0 H ASP A 7 -13.222 -10.646 4.216 1.00 1.22 H new ATOM 0 HA ASP A 7 -14.290 -10.821 2.272 1.00 1.25 H new ATOM 0 HB2 ASP A 7 -16.103 -12.725 3.814 1.00 1.48 H new ATOM 0 HB3 ASP A 7 -15.987 -12.626 2.068 1.00 1.48 H new ATOM 90 N ALA A 8 -15.977 -8.892 3.545 1.00 1.14 N ATOM 91 CA ALA A 8 -17.039 -7.893 3.538 1.00 1.29 C ATOM 92 C ALA A 8 -16.923 -6.975 2.325 1.00 1.46 C ATOM 93 O ALA A 8 -15.974 -6.199 2.214 1.00 1.58 O ATOM 94 CB ALA A 8 -17.004 -7.079 4.821 1.00 1.28 C ATOM 0 H ALA A 8 -15.107 -8.578 3.975 1.00 1.14 H new ATOM 0 HA ALA A 8 -17.994 -8.415 3.476 1.00 1.29 H new ATOM 0 HB1 ALA A 8 -17.802 -6.337 4.803 1.00 1.28 H new ATOM 0 HB2 ALA A 8 -17.143 -7.741 5.676 1.00 1.28 H new ATOM 0 HB3 ALA A 8 -16.041 -6.575 4.906 1.00 1.28 H new ATOM 100 N SER A 9 -17.895 -7.070 1.422 1.00 1.63 N ATOM 101 CA SER A 9 -17.908 -6.249 0.214 1.00 1.85 C ATOM 102 C SER A 9 -16.618 -6.429 -0.584 1.00 1.76 C ATOM 103 O SER A 9 -16.238 -5.565 -1.374 1.00 1.89 O ATOM 104 CB SER A 9 -18.098 -4.773 0.575 1.00 2.01 C ATOM 105 OG SER A 9 -18.208 -3.971 -0.589 1.00 2.55 O ATOM 0 H SER A 9 -18.686 -7.709 1.504 1.00 1.63 H new ATOM 0 HA SER A 9 -18.744 -6.574 -0.405 1.00 1.85 H new ATOM 0 HB2 SER A 9 -18.994 -4.657 1.185 1.00 2.01 H new ATOM 0 HB3 SER A 9 -17.256 -4.432 1.177 1.00 2.01 H new ATOM 0 HG SER A 9 -17.539 -4.255 -1.246 1.00 2.55 H new ATOM 111 N GLY A 10 -15.952 -7.559 -0.373 1.00 1.58 N ATOM 112 CA GLY A 10 -14.714 -7.835 -1.077 1.00 1.55 C ATOM 113 C GLY A 10 -13.497 -7.279 -0.361 1.00 1.38 C ATOM 114 O GLY A 10 -12.402 -7.825 -0.473 1.00 1.82 O ATOM 0 H GLY A 10 -16.248 -8.290 0.274 1.00 1.58 H new ATOM 0 HA2 GLY A 10 -14.600 -8.913 -1.195 1.00 1.55 H new ATOM 0 HA3 GLY A 10 -14.768 -7.409 -2.079 1.00 1.55 H new ATOM 118 N PHE A 11 -13.690 -6.191 0.380 1.00 1.08 N ATOM 119 CA PHE A 11 -12.597 -5.560 1.113 1.00 0.90 C ATOM 120 C PHE A 11 -11.992 -6.520 2.132 1.00 0.71 C ATOM 121 O PHE A 11 -12.617 -6.846 3.142 1.00 0.83 O ATOM 122 CB PHE A 11 -13.086 -4.290 1.812 1.00 1.02 C ATOM 123 CG PHE A 11 -13.341 -3.148 0.869 1.00 1.18 C ATOM 124 CD1 PHE A 11 -12.305 -2.322 0.462 1.00 1.05 C ATOM 125 CD2 PHE A 11 -14.618 -2.900 0.391 1.00 1.52 C ATOM 126 CE1 PHE A 11 -12.539 -1.271 -0.405 1.00 1.24 C ATOM 127 CE2 PHE A 11 -14.857 -1.850 -0.475 1.00 1.70 C ATOM 128 CZ PHE A 11 -13.811 -1.036 -0.875 1.00 1.55 C ATOM 0 H PHE A 11 -14.593 -5.728 0.488 1.00 1.08 H new ATOM 0 HA PHE A 11 -11.822 -5.293 0.395 1.00 0.90 H new ATOM 0 HB2 PHE A 11 -14.004 -4.514 2.355 1.00 1.02 H new ATOM 0 HB3 PHE A 11 -12.345 -3.983 2.550 1.00 1.02 H new ATOM 0 HD1 PHE A 11 -11.304 -2.501 0.826 1.00 1.05 H new ATOM 0 HD2 PHE A 11 -15.436 -3.535 0.699 1.00 1.52 H new ATOM 0 HE1 PHE A 11 -11.723 -0.634 -0.714 1.00 1.24 H new ATOM 0 HE2 PHE A 11 -15.857 -1.665 -0.839 1.00 1.70 H new ATOM 0 HZ PHE A 11 -13.993 -0.217 -1.555 1.00 1.55 H new ATOM 138 N SER A 12 -10.770 -6.967 1.858 1.00 0.55 N ATOM 139 CA SER A 12 -10.067 -7.888 2.744 1.00 0.45 C ATOM 140 C SER A 12 -8.639 -7.409 2.997 1.00 0.39 C ATOM 141 O SER A 12 -8.012 -6.814 2.121 1.00 0.38 O ATOM 142 CB SER A 12 -10.050 -9.293 2.140 1.00 0.51 C ATOM 143 OG SER A 12 -9.323 -10.192 2.960 1.00 0.90 O ATOM 0 H SER A 12 -10.244 -6.704 1.025 1.00 0.55 H new ATOM 0 HA SER A 12 -10.596 -7.918 3.697 1.00 0.45 H new ATOM 0 HB2 SER A 12 -11.072 -9.652 2.018 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.603 -9.260 1.146 1.00 0.51 H new ATOM 0 HG SER A 12 -9.328 -11.083 2.553 1.00 0.90 H new ATOM 149 N LEU A 13 -8.133 -7.673 4.199 1.00 0.41 N ATOM 150 CA LEU A 13 -6.782 -7.263 4.568 1.00 0.40 C ATOM 151 C LEU A 13 -5.744 -8.248 4.040 1.00 0.45 C ATOM 152 O LEU A 13 -5.791 -9.438 4.347 1.00 0.68 O ATOM 153 CB LEU A 13 -6.658 -7.143 6.089 1.00 0.56 C ATOM 154 CG LEU A 13 -7.671 -6.209 6.752 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.585 -6.321 8.267 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.437 -4.773 6.310 1.00 0.79 C ATOM 0 H LEU A 13 -8.638 -8.169 4.933 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.594 -6.290 4.115 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.763 -8.136 6.526 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.654 -6.794 6.329 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.672 -6.507 6.441 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.313 -5.650 8.723 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.798 -7.346 8.569 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.583 -6.047 8.596 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.166 -4.121 6.791 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.431 -4.464 6.594 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.546 -4.703 5.228 1.00 0.79 H new ATOM 168 N TYR A 14 -4.806 -7.739 3.246 1.00 0.36 N ATOM 169 CA TYR A 14 -3.749 -8.568 2.676 1.00 0.50 C ATOM 170 C TYR A 14 -2.372 -8.059 3.098 1.00 0.31 C ATOM 171 O TYR A 14 -2.078 -6.869 2.987 1.00 0.37 O ATOM 172 CB TYR A 14 -3.855 -8.588 1.150 1.00 0.80 C ATOM 173 CG TYR A 14 -4.979 -9.456 0.632 1.00 0.68 C ATOM 174 CD1 TYR A 14 -6.253 -8.937 0.430 1.00 0.71 C ATOM 175 CD2 TYR A 14 -4.765 -10.799 0.344 1.00 1.20 C ATOM 176 CE1 TYR A 14 -7.279 -9.731 -0.045 1.00 1.34 C ATOM 177 CE2 TYR A 14 -5.786 -11.598 -0.131 1.00 1.90 C ATOM 178 CZ TYR A 14 -7.041 -11.061 -0.324 1.00 1.98 C ATOM 179 OH TYR A 14 -8.059 -11.856 -0.798 1.00 2.73 O ATOM 0 H TYR A 14 -4.757 -6.755 2.983 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.872 -9.583 3.054 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.999 -7.569 0.791 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.912 -8.942 0.733 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -6.444 -7.897 0.648 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -3.784 -11.225 0.494 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -8.263 -9.312 -0.197 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -5.602 -12.639 -0.350 1.00 1.90 H new ATOM 0 HH TYR A 14 -7.723 -12.765 -0.944 1.00 2.73 H new ATOM 189 N SER A 15 -1.532 -8.967 3.585 1.00 0.43 N ATOM 190 CA SER A 15 -0.189 -8.603 4.024 1.00 0.38 C ATOM 191 C SER A 15 0.869 -9.453 3.327 1.00 0.33 C ATOM 192 O SER A 15 0.746 -10.676 3.248 1.00 0.41 O ATOM 193 CB SER A 15 -0.065 -8.761 5.542 1.00 0.59 C ATOM 194 OG SER A 15 1.239 -8.427 5.984 1.00 1.19 O ATOM 0 H SER A 15 -1.756 -9.957 3.685 1.00 0.43 H new ATOM 0 HA SER A 15 -0.022 -7.560 3.756 1.00 0.38 H new ATOM 0 HB2 SER A 15 -0.795 -8.122 6.038 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.296 -9.788 5.824 1.00 0.59 H new ATOM 0 HG SER A 15 1.292 -8.534 6.957 1.00 1.19 H new ATOM 200 N VAL A 16 1.907 -8.793 2.824 1.00 0.32 N ATOM 201 CA VAL A 16 2.994 -9.477 2.132 1.00 0.33 C ATOM 202 C VAL A 16 4.346 -9.017 2.669 1.00 0.31 C ATOM 203 O VAL A 16 4.483 -7.886 3.136 1.00 0.44 O ATOM 204 CB VAL A 16 2.941 -9.226 0.611 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.932 -10.122 -0.118 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.532 -9.439 0.080 1.00 0.56 C ATOM 0 H VAL A 16 2.019 -7.781 2.883 1.00 0.32 H new ATOM 0 HA VAL A 16 2.872 -10.545 2.315 1.00 0.33 H new ATOM 0 HB VAL A 16 3.221 -8.189 0.427 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.878 -9.928 -1.189 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.941 -9.914 0.238 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.688 -11.167 0.075 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.517 -9.257 -0.995 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.219 -10.464 0.279 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.849 -8.749 0.575 1.00 0.56 H new ATOM 216 N GLU A 17 5.342 -9.896 2.602 1.00 0.33 N ATOM 217 CA GLU A 17 6.679 -9.570 3.090 1.00 0.34 C ATOM 218 C GLU A 17 7.619 -9.213 1.944 1.00 0.32 C ATOM 219 O GLU A 17 7.879 -10.030 1.060 1.00 0.38 O ATOM 220 CB GLU A 17 7.256 -10.741 3.886 1.00 0.45 C ATOM 221 CG GLU A 17 6.457 -11.081 5.132 1.00 0.71 C ATOM 222 CD GLU A 17 7.055 -12.237 5.911 1.00 1.18 C ATOM 223 OE1 GLU A 17 6.781 -13.401 5.550 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.796 -11.978 6.883 1.00 1.74 O ATOM 0 H GLU A 17 5.250 -10.836 2.216 1.00 0.33 H new ATOM 0 HA GLU A 17 6.589 -8.700 3.741 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.301 -11.620 3.243 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.280 -10.504 4.175 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.404 -10.203 5.776 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.435 -11.330 4.847 1.00 0.71 H new ATOM 231 N LEU A 18 8.126 -7.985 1.969 1.00 0.31 N ATOM 232 CA LEU A 18 9.048 -7.508 0.944 1.00 0.34 C ATOM 233 C LEU A 18 10.358 -7.060 1.582 1.00 0.38 C ATOM 234 O LEU A 18 10.442 -6.899 2.798 1.00 0.68 O ATOM 235 CB LEU A 18 8.428 -6.346 0.158 1.00 0.40 C ATOM 236 CG LEU A 18 7.598 -6.742 -1.068 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.458 -7.482 -2.080 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.400 -7.588 -0.664 1.00 0.71 C ATOM 0 H LEU A 18 7.912 -7.298 2.692 1.00 0.31 H new ATOM 0 HA LEU A 18 9.248 -8.328 0.255 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.794 -5.772 0.833 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.230 -5.683 -0.167 1.00 0.40 H new ATOM 0 HG LEU A 18 7.226 -5.829 -1.533 1.00 0.46 H new ATOM 0 HD11 LEU A 18 7.851 -7.755 -2.943 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.277 -6.838 -2.401 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.864 -8.384 -1.622 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.828 -7.856 -1.552 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.746 -8.495 -0.168 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.767 -7.020 0.018 1.00 0.71 H new ATOM 250 N PHE A 19 11.382 -6.866 0.758 1.00 0.41 N ATOM 251 CA PHE A 19 12.684 -6.436 1.253 1.00 0.43 C ATOM 252 C PHE A 19 13.334 -5.446 0.296 1.00 0.49 C ATOM 253 O PHE A 19 13.382 -5.675 -0.913 1.00 0.59 O ATOM 254 CB PHE A 19 13.599 -7.644 1.469 1.00 0.48 C ATOM 255 CG PHE A 19 13.755 -8.514 0.253 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.827 -9.504 -0.032 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.828 -8.340 -0.605 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.967 -10.304 -1.150 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.973 -9.137 -1.726 1.00 2.08 C ATOM 260 CZ PHE A 19 14.045 -10.125 -1.994 1.00 1.94 C ATOM 0 H PHE A 19 11.336 -6.999 -0.252 1.00 0.41 H new ATOM 0 HA PHE A 19 12.532 -5.934 2.209 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.582 -7.292 1.780 1.00 0.48 H new ATOM 0 HB3 PHE A 19 13.203 -8.246 2.286 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.985 -9.652 0.628 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.560 -7.573 -0.396 1.00 1.50 H new ATOM 0 HE1 PHE A 19 12.234 -11.068 -1.363 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.811 -8.987 -2.391 1.00 2.08 H new ATOM 0 HZ PHE A 19 14.163 -10.756 -2.862 1.00 1.94 H new ATOM 270 N ARG A 20 13.829 -4.338 0.843 1.00 0.52 N ATOM 271 CA ARG A 20 14.477 -3.317 0.029 1.00 0.66 C ATOM 272 C ARG A 20 15.995 -3.432 0.127 1.00 0.68 C ATOM 273 O ARG A 20 16.592 -3.055 1.135 1.00 0.83 O ATOM 274 CB ARG A 20 14.022 -1.922 0.465 1.00 0.73 C ATOM 275 CG ARG A 20 14.097 -0.882 -0.642 1.00 0.99 C ATOM 276 CD ARG A 20 15.495 -0.301 -0.779 1.00 1.19 C ATOM 277 NE ARG A 20 15.827 0.591 0.328 1.00 1.60 N ATOM 278 CZ ARG A 20 16.941 1.315 0.384 1.00 2.26 C ATOM 279 NH1 ARG A 20 17.834 1.242 -0.594 1.00 2.52 N ATOM 280 NH2 ARG A 20 17.165 2.110 1.422 1.00 3.06 N ATOM 0 H ARG A 20 13.793 -4.127 1.840 1.00 0.52 H new ATOM 0 HA ARG A 20 14.187 -3.472 -1.010 1.00 0.66 H new ATOM 0 HB2 ARG A 20 12.996 -1.981 0.828 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.638 -1.594 1.302 1.00 0.73 H new ATOM 0 HG2 ARG A 20 13.798 -1.335 -1.587 1.00 0.99 H new ATOM 0 HG3 ARG A 20 13.389 -0.080 -0.435 1.00 0.99 H new ATOM 0 HD2 ARG A 20 16.222 -1.112 -0.822 1.00 1.19 H new ATOM 0 HD3 ARG A 20 15.570 0.245 -1.720 1.00 1.19 H new ATOM 0 HE ARG A 20 15.167 0.663 1.102 1.00 1.60 H new ATOM 0 HH11 ARG A 20 17.667 0.629 -1.392 1.00 2.52 H new ATOM 0 HH12 ARG A 20 18.687 1.799 -0.548 1.00 2.52 H new ATOM 0 HH21 ARG A 20 16.483 2.166 2.178 1.00 3.06 H new ATOM 0 HH22 ARG A 20 18.020 2.665 1.464 1.00 3.06 H new ATOM 294 N GLU A 21 16.615 -3.959 -0.924 1.00 0.82 N ATOM 295 CA GLU A 21 18.065 -4.124 -0.950 1.00 0.93 C ATOM 296 C GLU A 21 18.611 -3.937 -2.365 1.00 1.16 C ATOM 297 O GLU A 21 19.787 -4.190 -2.627 1.00 1.57 O ATOM 298 CB GLU A 21 18.446 -5.509 -0.419 1.00 1.09 C ATOM 299 CG GLU A 21 19.913 -5.639 -0.041 1.00 1.62 C ATOM 300 CD GLU A 21 20.273 -7.034 0.434 1.00 2.00 C ATOM 301 OE1 GLU A 21 20.087 -7.318 1.636 1.00 2.58 O ATOM 302 OE2 GLU A 21 20.739 -7.842 -0.397 1.00 2.21 O ATOM 0 H GLU A 21 16.138 -4.279 -1.767 1.00 0.82 H new ATOM 0 HA GLU A 21 18.507 -3.361 -0.309 1.00 0.93 H new ATOM 0 HB2 GLU A 21 17.834 -5.734 0.455 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.208 -6.256 -1.176 1.00 1.09 H new ATOM 0 HG2 GLU A 21 20.530 -5.382 -0.902 1.00 1.62 H new ATOM 0 HG3 GLU A 21 20.147 -4.920 0.745 1.00 1.62 H new ATOM 309 N LYS A 22 17.750 -3.487 -3.273 1.00 1.11 N ATOM 310 CA LYS A 22 18.147 -3.267 -4.660 1.00 1.40 C ATOM 311 C LYS A 22 18.667 -1.847 -4.860 1.00 1.31 C ATOM 312 O LYS A 22 18.429 -0.966 -4.033 1.00 1.38 O ATOM 313 CB LYS A 22 16.964 -3.527 -5.597 1.00 1.65 C ATOM 314 CG LYS A 22 16.426 -4.948 -5.523 1.00 2.00 C ATOM 315 CD LYS A 22 17.455 -5.964 -5.993 1.00 2.54 C ATOM 316 CE LYS A 22 16.947 -7.387 -5.829 1.00 3.05 C ATOM 317 NZ LYS A 22 16.675 -7.720 -4.404 1.00 3.72 N ATOM 0 H LYS A 22 16.774 -3.268 -3.074 1.00 1.11 H new ATOM 0 HA LYS A 22 18.951 -3.964 -4.897 1.00 1.40 H new ATOM 0 HB2 LYS A 22 16.161 -2.831 -5.355 1.00 1.65 H new ATOM 0 HB3 LYS A 22 17.271 -3.317 -6.622 1.00 1.65 H new ATOM 0 HG2 LYS A 22 16.134 -5.174 -4.497 1.00 2.00 H new ATOM 0 HG3 LYS A 22 15.528 -5.030 -6.135 1.00 2.00 H new ATOM 0 HD2 LYS A 22 17.697 -5.781 -7.040 1.00 2.54 H new ATOM 0 HD3 LYS A 22 18.378 -5.838 -5.426 1.00 2.54 H new ATOM 0 HE2 LYS A 22 16.035 -7.516 -6.412 1.00 3.05 H new ATOM 0 HE3 LYS A 22 17.683 -8.084 -6.230 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 16.579 -8.750 -4.301 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 17.462 -7.385 -3.813 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 15.794 -7.258 -4.102 1.00 3.72 H new ATOM 331 N ASP A 23 19.378 -1.634 -5.964 1.00 1.46 N ATOM 332 CA ASP A 23 19.931 -0.322 -6.277 1.00 1.51 C ATOM 333 C ASP A 23 18.894 0.556 -6.969 1.00 1.31 C ATOM 334 O ASP A 23 19.230 1.367 -7.834 1.00 1.58 O ATOM 335 CB ASP A 23 21.170 -0.466 -7.163 1.00 1.91 C ATOM 336 CG ASP A 23 22.288 -1.223 -6.473 1.00 2.29 C ATOM 337 OD1 ASP A 23 22.327 -2.465 -6.597 1.00 2.58 O ATOM 338 OD2 ASP A 23 23.123 -0.575 -5.808 1.00 2.87 O ATOM 0 H ASP A 23 19.584 -2.354 -6.656 1.00 1.46 H new ATOM 0 HA ASP A 23 20.217 0.157 -5.340 1.00 1.51 H new ATOM 0 HB2 ASP A 23 20.898 -0.984 -8.083 1.00 1.91 H new ATOM 0 HB3 ASP A 23 21.527 0.524 -7.448 1.00 1.91 H new ATOM 343 N THR A 24 17.634 0.388 -6.585 1.00 1.02 N ATOM 344 CA THR A 24 16.545 1.165 -7.165 1.00 0.98 C ATOM 345 C THR A 24 16.180 2.343 -6.268 1.00 1.01 C ATOM 346 O THR A 24 15.398 3.211 -6.652 1.00 1.16 O ATOM 347 CB THR A 24 15.293 0.296 -7.389 1.00 1.17 C ATOM 348 OG1 THR A 24 14.765 -0.137 -6.130 1.00 1.38 O ATOM 349 CG2 THR A 24 15.625 -0.917 -8.245 1.00 1.19 C ATOM 0 H THR A 24 17.341 -0.281 -5.873 1.00 1.02 H new ATOM 0 HA THR A 24 16.895 1.537 -8.128 1.00 0.98 H new ATOM 0 HB THR A 24 14.548 0.898 -7.908 1.00 1.17 H new ATOM 0 HG1 THR A 24 13.968 -0.687 -6.281 1.00 1.38 H new ATOM 0 HG21 THR A 24 14.726 -1.517 -8.390 1.00 1.19 H new ATOM 0 HG22 THR A 24 16.002 -0.587 -9.213 1.00 1.19 H new ATOM 0 HG23 THR A 24 16.385 -1.518 -7.746 1.00 1.19 H new ATOM 357 N SER A 25 16.756 2.358 -5.066 1.00 1.05 N ATOM 358 CA SER A 25 16.503 3.422 -4.097 1.00 1.35 C ATOM 359 C SER A 25 15.016 3.520 -3.764 1.00 1.17 C ATOM 360 O SER A 25 14.560 4.515 -3.199 1.00 1.39 O ATOM 361 CB SER A 25 17.010 4.763 -4.634 1.00 1.79 C ATOM 362 OG SER A 25 16.835 5.795 -3.679 1.00 2.45 O ATOM 0 H SER A 25 17.404 1.641 -4.740 1.00 1.05 H new ATOM 0 HA SER A 25 17.043 3.178 -3.182 1.00 1.35 H new ATOM 0 HB2 SER A 25 18.065 4.679 -4.893 1.00 1.79 H new ATOM 0 HB3 SER A 25 16.476 5.017 -5.550 1.00 1.79 H new ATOM 0 HG SER A 25 15.989 5.660 -3.202 1.00 2.45 H new ATOM 368 N SER A 26 14.265 2.477 -4.110 1.00 0.84 N ATOM 369 CA SER A 26 12.829 2.449 -3.854 1.00 0.72 C ATOM 370 C SER A 26 12.308 1.014 -3.829 1.00 0.58 C ATOM 371 O SER A 26 13.077 0.061 -3.954 1.00 0.69 O ATOM 372 CB SER A 26 12.087 3.254 -4.922 1.00 0.81 C ATOM 373 OG SER A 26 12.501 4.609 -4.921 1.00 1.40 O ATOM 0 H SER A 26 14.628 1.641 -4.568 1.00 0.84 H new ATOM 0 HA SER A 26 12.649 2.898 -2.877 1.00 0.72 H new ATOM 0 HB2 SER A 26 12.269 2.816 -5.903 1.00 0.81 H new ATOM 0 HB3 SER A 26 11.013 3.199 -4.742 1.00 0.81 H new ATOM 0 HG SER A 26 13.013 4.794 -4.106 1.00 1.40 H new ATOM 379 N LEU A 27 10.996 0.872 -3.665 1.00 0.42 N ATOM 380 CA LEU A 27 10.363 -0.441 -3.624 1.00 0.32 C ATOM 381 C LEU A 27 9.422 -0.625 -4.808 1.00 0.29 C ATOM 382 O LEU A 27 8.861 -1.702 -5.007 1.00 0.41 O ATOM 383 CB LEU A 27 9.585 -0.619 -2.316 1.00 0.35 C ATOM 384 CG LEU A 27 10.440 -0.932 -1.087 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.631 -0.738 0.185 1.00 0.45 C ATOM 386 CD2 LEU A 27 10.977 -2.353 -1.163 1.00 0.43 C ATOM 0 H LEU A 27 10.349 1.653 -3.558 1.00 0.42 H new ATOM 0 HA LEU A 27 11.148 -1.195 -3.679 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.018 0.292 -2.122 1.00 0.35 H new ATOM 0 HB3 LEU A 27 8.861 -1.423 -2.449 1.00 0.35 H new ATOM 0 HG LEU A 27 11.285 -0.243 -1.068 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.254 -0.965 1.050 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.289 0.295 0.245 1.00 0.45 H new ATOM 0 HD13 LEU A 27 8.769 -1.405 0.173 1.00 0.45 H new ATOM 0 HD21 LEU A 27 11.583 -2.560 -0.281 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.144 -3.055 -1.204 1.00 0.43 H new ATOM 0 HD23 LEU A 27 11.589 -2.463 -2.058 1.00 0.43 H new ATOM 398 N GLY A 28 9.254 0.435 -5.592 1.00 0.29 N ATOM 399 CA GLY A 28 8.376 0.374 -6.744 1.00 0.31 C ATOM 400 C GLY A 28 6.984 0.880 -6.429 1.00 0.29 C ATOM 401 O GLY A 28 6.080 0.793 -7.258 1.00 0.52 O ATOM 0 H GLY A 28 9.711 1.336 -5.449 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.801 0.966 -7.555 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.315 -0.655 -7.098 1.00 0.31 H new ATOM 405 N ILE A 29 6.814 1.411 -5.224 1.00 0.35 N ATOM 406 CA ILE A 29 5.524 1.934 -4.795 1.00 0.32 C ATOM 407 C ILE A 29 5.282 3.325 -5.368 1.00 0.30 C ATOM 408 O ILE A 29 5.922 4.295 -4.961 1.00 0.35 O ATOM 409 CB ILE A 29 5.428 1.999 -3.258 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.903 0.683 -2.630 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.001 2.312 -2.828 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.125 -0.535 -3.087 1.00 0.84 C ATOM 0 H ILE A 29 7.554 1.490 -4.527 1.00 0.35 H new ATOM 0 HA ILE A 29 4.762 1.251 -5.170 1.00 0.32 H new ATOM 0 HB ILE A 29 6.079 2.799 -2.906 1.00 0.37 H new ATOM 0 HG12 ILE A 29 6.957 0.538 -2.868 1.00 0.46 H new ATOM 0 HG13 ILE A 29 5.829 0.763 -1.545 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.950 2.354 -1.740 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.698 3.273 -3.243 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.332 1.533 -3.193 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.522 -1.425 -2.598 1.00 0.84 H new ATOM 0 HD12 ILE A 29 4.074 -0.415 -2.825 1.00 0.84 H new ATOM 0 HD13 ILE A 29 5.219 -0.642 -4.168 1.00 0.84 H new ATOM 424 N SER A 30 4.352 3.416 -6.315 1.00 0.27 N ATOM 425 CA SER A 30 4.024 4.688 -6.948 1.00 0.29 C ATOM 426 C SER A 30 2.606 5.122 -6.589 1.00 0.28 C ATOM 427 O SER A 30 1.643 4.736 -7.251 1.00 0.35 O ATOM 428 CB SER A 30 4.167 4.575 -8.467 1.00 0.33 C ATOM 429 OG SER A 30 5.487 4.206 -8.829 1.00 0.95 O ATOM 0 H SER A 30 3.812 2.622 -6.660 1.00 0.27 H new ATOM 0 HA SER A 30 4.720 5.442 -6.580 1.00 0.29 H new ATOM 0 HB2 SER A 30 3.462 3.836 -8.848 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.912 5.528 -8.931 1.00 0.33 H new ATOM 0 HG SER A 30 5.552 4.139 -9.805 1.00 0.95 H new ATOM 435 N ILE A 31 2.488 5.928 -5.538 1.00 0.25 N ATOM 436 CA ILE A 31 1.188 6.413 -5.089 1.00 0.27 C ATOM 437 C ILE A 31 0.857 7.763 -5.715 1.00 0.31 C ATOM 438 O ILE A 31 1.737 8.449 -6.235 1.00 0.41 O ATOM 439 CB ILE A 31 1.138 6.543 -3.553 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.181 7.556 -3.070 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.364 5.186 -2.902 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.112 7.840 -1.584 1.00 0.39 C ATOM 0 H ILE A 31 3.277 6.259 -4.982 1.00 0.25 H new ATOM 0 HA ILE A 31 0.448 5.679 -5.409 1.00 0.27 H new ATOM 0 HB ILE A 31 0.151 6.904 -3.263 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.176 7.184 -3.314 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.047 8.490 -3.616 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.326 5.292 -1.818 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.588 4.493 -3.226 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.340 4.800 -3.195 1.00 0.35 H new ATOM 0 HD11 ILE A 31 2.880 8.566 -1.316 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.130 8.243 -1.336 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.276 6.916 -1.029 1.00 0.39 H new ATOM 454 N SER A 32 -0.417 8.140 -5.661 1.00 0.37 N ATOM 455 CA SER A 32 -0.864 9.411 -6.222 1.00 0.44 C ATOM 456 C SER A 32 -1.468 10.299 -5.138 1.00 0.55 C ATOM 457 O SER A 32 -2.322 9.860 -4.367 1.00 0.59 O ATOM 458 CB SER A 32 -1.887 9.168 -7.331 1.00 0.48 C ATOM 459 OG SER A 32 -2.323 10.391 -7.901 1.00 1.32 O ATOM 0 H SER A 32 -1.158 7.584 -5.235 1.00 0.37 H new ATOM 0 HA SER A 32 0.002 9.922 -6.643 1.00 0.44 H new ATOM 0 HB2 SER A 32 -1.446 8.539 -8.105 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.742 8.626 -6.928 1.00 0.48 H new ATOM 0 HG SER A 32 -2.975 10.208 -8.609 1.00 1.32 H new ATOM 465 N GLY A 33 -1.022 11.551 -5.090 1.00 0.70 N ATOM 466 CA GLY A 33 -1.527 12.484 -4.098 1.00 0.87 C ATOM 467 C GLY A 33 -2.986 12.834 -4.316 1.00 0.88 C ATOM 468 O GLY A 33 -3.342 13.432 -5.332 1.00 0.95 O ATOM 0 H GLY A 33 -0.319 11.936 -5.721 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -1.405 12.053 -3.104 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -0.930 13.396 -4.125 1.00 0.87 H new ATOM 472 N MET A 34 -3.833 12.460 -3.360 1.00 1.12 N ATOM 473 CA MET A 34 -5.261 12.741 -3.453 1.00 1.25 C ATOM 474 C MET A 34 -5.553 14.194 -3.093 1.00 1.38 C ATOM 475 O MET A 34 -5.346 14.617 -1.955 1.00 1.63 O ATOM 476 CB MET A 34 -6.049 11.807 -2.531 1.00 1.56 C ATOM 477 CG MET A 34 -7.552 12.035 -2.575 1.00 1.77 C ATOM 478 SD MET A 34 -8.447 10.982 -1.419 1.00 2.04 S ATOM 479 CE MET A 34 -10.135 11.489 -1.739 1.00 1.98 C ATOM 0 H MET A 34 -3.555 11.963 -2.514 1.00 1.12 H new ATOM 0 HA MET A 34 -5.573 12.570 -4.483 1.00 1.25 H new ATOM 0 HB2 MET A 34 -5.838 10.774 -2.808 1.00 1.56 H new ATOM 0 HB3 MET A 34 -5.699 11.940 -1.507 1.00 1.56 H new ATOM 0 HG2 MET A 34 -7.764 13.080 -2.348 1.00 1.77 H new ATOM 0 HG3 MET A 34 -7.915 11.849 -3.586 1.00 1.77 H new ATOM 0 HE1 MET A 34 -10.812 10.925 -1.098 1.00 1.98 H new ATOM 0 HE2 MET A 34 -10.241 12.554 -1.531 1.00 1.98 H new ATOM 0 HE3 MET A 34 -10.381 11.297 -2.784 1.00 1.98 H new ATOM 489 N ARG A 35 -6.032 14.953 -4.073 1.00 1.52 N ATOM 490 CA ARG A 35 -6.357 16.361 -3.869 1.00 1.79 C ATOM 491 C ARG A 35 -7.347 16.536 -2.720 1.00 2.00 C ATOM 492 O ARG A 35 -8.099 15.619 -2.387 1.00 2.40 O ATOM 493 CB ARG A 35 -6.929 16.970 -5.154 1.00 2.21 C ATOM 494 CG ARG A 35 -8.382 16.605 -5.429 1.00 2.56 C ATOM 495 CD ARG A 35 -8.549 15.125 -5.742 1.00 2.88 C ATOM 496 NE ARG A 35 -9.928 14.791 -6.083 1.00 3.69 N ATOM 497 CZ ARG A 35 -10.339 13.559 -6.372 1.00 4.52 C ATOM 498 NH1 ARG A 35 -9.479 12.548 -6.357 1.00 4.68 N ATOM 499 NH2 ARG A 35 -11.610 13.337 -6.676 1.00 5.46 N ATOM 0 H ARG A 35 -6.204 14.615 -5.020 1.00 1.52 H new ATOM 0 HA ARG A 35 -5.436 16.883 -3.609 1.00 1.79 H new ATOM 0 HB2 ARG A 35 -6.844 18.055 -5.097 1.00 2.21 H new ATOM 0 HB3 ARG A 35 -6.320 16.647 -5.998 1.00 2.21 H new ATOM 0 HG2 ARG A 35 -8.991 16.863 -4.563 1.00 2.56 H new ATOM 0 HG3 ARG A 35 -8.752 17.197 -6.266 1.00 2.56 H new ATOM 0 HD2 ARG A 35 -7.895 14.853 -6.570 1.00 2.88 H new ATOM 0 HD3 ARG A 35 -8.235 14.535 -4.881 1.00 2.88 H new ATOM 0 HE ARG A 35 -10.615 15.544 -6.101 1.00 3.69 H new ATOM 0 HH11 ARG A 35 -8.500 12.715 -6.123 1.00 4.68 H new ATOM 0 HH12 ARG A 35 -9.797 11.605 -6.579 1.00 4.68 H new ATOM 0 HH21 ARG A 35 -12.274 14.111 -6.689 1.00 5.46 H new ATOM 0 HH22 ARG A 35 -11.924 12.392 -6.897 1.00 5.46 H new ATOM 513 N ASP A 36 -7.341 17.722 -2.120 1.00 2.20 N ATOM 514 CA ASP A 36 -8.233 18.025 -1.005 1.00 2.60 C ATOM 515 C ASP A 36 -9.348 18.971 -1.439 1.00 2.84 C ATOM 516 O ASP A 36 -10.370 19.093 -0.763 1.00 3.13 O ATOM 517 CB ASP A 36 -7.445 18.646 0.148 1.00 3.10 C ATOM 518 CG ASP A 36 -6.657 19.868 -0.280 1.00 3.69 C ATOM 519 OD1 ASP A 36 -5.513 19.702 -0.755 1.00 4.29 O ATOM 520 OD2 ASP A 36 -7.182 20.993 -0.141 1.00 4.03 O ATOM 0 H ASP A 36 -6.727 18.491 -2.388 1.00 2.20 H new ATOM 0 HA ASP A 36 -8.684 17.091 -0.670 1.00 2.60 H new ATOM 0 HB2 ASP A 36 -8.133 18.923 0.947 1.00 3.10 H new ATOM 0 HB3 ASP A 36 -6.762 17.903 0.559 1.00 3.10 H new ATOM 525 N GLN A 37 -9.134 19.642 -2.567 1.00 3.14 N ATOM 526 CA GLN A 37 -10.112 20.582 -3.108 1.00 3.57 C ATOM 527 C GLN A 37 -10.337 21.745 -2.147 1.00 3.76 C ATOM 528 O GLN A 37 -9.669 21.853 -1.119 1.00 4.28 O ATOM 529 CB GLN A 37 -11.438 19.870 -3.390 1.00 4.06 C ATOM 530 CG GLN A 37 -11.303 18.678 -4.322 1.00 4.18 C ATOM 531 CD GLN A 37 -12.627 17.980 -4.570 1.00 4.68 C ATOM 532 OE1 GLN A 37 -13.354 18.314 -5.505 1.00 4.94 O ATOM 533 NE2 GLN A 37 -12.947 17.005 -3.727 1.00 5.25 N ATOM 0 H GLN A 37 -8.287 19.552 -3.128 1.00 3.14 H new ATOM 0 HA GLN A 37 -9.718 20.979 -4.044 1.00 3.57 H new ATOM 0 HB2 GLN A 37 -11.869 19.536 -2.446 1.00 4.06 H new ATOM 0 HB3 GLN A 37 -12.138 20.583 -3.825 1.00 4.06 H new ATOM 0 HG2 GLN A 37 -10.888 19.010 -5.273 1.00 4.18 H new ATOM 0 HG3 GLN A 37 -10.595 17.967 -3.896 1.00 4.18 H new ATOM 0 HE21 GLN A 37 -12.314 16.761 -2.965 1.00 5.25 H new ATOM 0 HE22 GLN A 37 -13.826 16.500 -3.841 1.00 5.25 H new ATOM 542 N SER A 38 -11.279 22.618 -2.493 1.00 3.75 N ATOM 543 CA SER A 38 -11.595 23.775 -1.662 1.00 4.18 C ATOM 544 C SER A 38 -12.640 23.420 -0.609 1.00 4.18 C ATOM 545 O SER A 38 -13.339 24.293 -0.095 1.00 4.39 O ATOM 546 CB SER A 38 -12.104 24.927 -2.531 1.00 4.65 C ATOM 547 OG SER A 38 -13.275 24.554 -3.237 1.00 4.88 O ATOM 0 H SER A 38 -11.837 22.546 -3.344 1.00 3.75 H new ATOM 0 HA SER A 38 -10.683 24.086 -1.153 1.00 4.18 H new ATOM 0 HB2 SER A 38 -12.314 25.794 -1.905 1.00 4.65 H new ATOM 0 HB3 SER A 38 -11.329 25.224 -3.237 1.00 4.65 H new ATOM 0 HG SER A 38 -13.581 25.308 -3.784 1.00 4.88 H new ATOM 553 N THR A 39 -12.738 22.132 -0.292 1.00 4.37 N ATOM 554 CA THR A 39 -13.696 21.656 0.700 1.00 4.62 C ATOM 555 C THR A 39 -13.176 21.873 2.116 1.00 4.92 C ATOM 556 O THR A 39 -11.999 21.647 2.399 1.00 5.20 O ATOM 557 CB THR A 39 -14.005 20.160 0.505 1.00 4.99 C ATOM 558 OG1 THR A 39 -12.814 19.386 0.691 1.00 5.27 O ATOM 559 CG2 THR A 39 -14.569 19.903 -0.884 1.00 5.22 C ATOM 0 H THR A 39 -12.165 21.399 -0.709 1.00 4.37 H new ATOM 0 HA THR A 39 -14.610 22.233 0.559 1.00 4.62 H new ATOM 0 HB THR A 39 -14.749 19.865 1.244 1.00 4.99 H new ATOM 0 HG1 THR A 39 -12.217 19.516 -0.075 1.00 5.27 H new ATOM 0 HG21 THR A 39 -14.780 18.840 -1.000 1.00 5.22 H new ATOM 0 HG22 THR A 39 -15.490 20.472 -1.014 1.00 5.22 H new ATOM 0 HG23 THR A 39 -13.842 20.213 -1.635 1.00 5.22 H new ATOM 567 N THR A 40 -14.064 22.313 3.004 1.00 5.20 N ATOM 568 CA THR A 40 -13.699 22.560 4.394 1.00 5.70 C ATOM 569 C THR A 40 -13.460 21.253 5.140 1.00 5.69 C ATOM 570 O THR A 40 -13.057 21.255 6.303 1.00 6.22 O ATOM 571 CB THR A 40 -14.791 23.365 5.126 1.00 6.36 C ATOM 572 OG1 THR A 40 -14.424 23.557 6.498 1.00 6.91 O ATOM 573 CG2 THR A 40 -16.133 22.653 5.049 1.00 6.50 C ATOM 0 H THR A 40 -15.041 22.505 2.784 1.00 5.20 H new ATOM 0 HA THR A 40 -12.777 23.141 4.381 1.00 5.70 H new ATOM 0 HB THR A 40 -14.884 24.335 4.637 1.00 6.36 H new ATOM 0 HG1 THR A 40 -13.734 22.907 6.746 1.00 6.91 H new ATOM 0 HG21 THR A 40 -16.887 23.240 5.573 1.00 6.50 H new ATOM 0 HG22 THR A 40 -16.424 22.537 4.005 1.00 6.50 H new ATOM 0 HG23 THR A 40 -16.051 21.671 5.514 1.00 6.50 H new ATOM 581 N GLY A 41 -13.713 20.136 4.463 1.00 5.25 N ATOM 582 CA GLY A 41 -13.519 18.835 5.076 1.00 5.36 C ATOM 583 C GLY A 41 -12.417 18.038 4.407 1.00 4.81 C ATOM 584 O GLY A 41 -12.537 17.655 3.244 1.00 4.96 O ATOM 0 H GLY A 41 -14.049 20.110 3.500 1.00 5.25 H new ATOM 0 HA2 GLY A 41 -13.279 18.966 6.131 1.00 5.36 H new ATOM 0 HA3 GLY A 41 -14.451 18.272 5.028 1.00 5.36 H new ATOM 588 N GLU A 42 -11.342 17.787 5.146 1.00 4.49 N ATOM 589 CA GLU A 42 -10.211 17.031 4.620 1.00 4.09 C ATOM 590 C GLU A 42 -10.581 15.563 4.423 1.00 3.18 C ATOM 591 O GLU A 42 -11.263 14.968 5.258 1.00 3.30 O ATOM 592 CB GLU A 42 -9.015 17.142 5.567 1.00 4.75 C ATOM 593 CG GLU A 42 -8.628 18.576 5.890 1.00 5.90 C ATOM 594 CD GLU A 42 -7.441 18.660 6.831 1.00 6.74 C ATOM 595 OE1 GLU A 42 -7.595 18.299 8.016 1.00 7.14 O ATOM 596 OE2 GLU A 42 -6.357 19.089 6.381 1.00 7.22 O ATOM 0 H GLU A 42 -11.230 18.096 6.112 1.00 4.49 H new ATOM 0 HA GLU A 42 -9.942 17.453 3.652 1.00 4.09 H new ATOM 0 HB2 GLU A 42 -9.247 16.619 6.495 1.00 4.75 H new ATOM 0 HB3 GLU A 42 -8.160 16.635 5.120 1.00 4.75 H new ATOM 0 HG2 GLU A 42 -8.392 19.102 4.965 1.00 5.90 H new ATOM 0 HG3 GLU A 42 -9.480 19.086 6.339 1.00 5.90 H new ATOM 603 N ALA A 43 -10.129 14.984 3.315 1.00 2.78 N ATOM 604 CA ALA A 43 -10.409 13.585 3.012 1.00 2.36 C ATOM 605 C ALA A 43 -9.292 12.967 2.179 1.00 2.13 C ATOM 606 O ALA A 43 -9.543 12.169 1.275 1.00 2.67 O ATOM 607 CB ALA A 43 -11.745 13.457 2.293 1.00 3.05 C ATOM 0 H ALA A 43 -9.567 15.463 2.611 1.00 2.78 H new ATOM 0 HA ALA A 43 -10.464 13.039 3.954 1.00 2.36 H new ATOM 0 HB1 ALA A 43 -11.941 12.408 2.073 1.00 3.05 H new ATOM 0 HB2 ALA A 43 -12.539 13.849 2.928 1.00 3.05 H new ATOM 0 HB3 ALA A 43 -11.713 14.023 1.362 1.00 3.05 H new ATOM 613 N THR A 44 -8.056 13.341 2.495 1.00 1.84 N ATOM 614 CA THR A 44 -6.892 12.826 1.781 1.00 1.65 C ATOM 615 C THR A 44 -6.746 11.322 1.987 1.00 1.26 C ATOM 616 O THR A 44 -7.120 10.790 3.032 1.00 1.53 O ATOM 617 CB THR A 44 -5.600 13.526 2.243 1.00 2.07 C ATOM 618 OG1 THR A 44 -5.371 13.269 3.633 1.00 2.30 O ATOM 619 CG2 THR A 44 -5.684 15.027 2.008 1.00 2.53 C ATOM 0 H THR A 44 -7.834 14.000 3.242 1.00 1.84 H new ATOM 0 HA THR A 44 -7.049 13.031 0.722 1.00 1.65 H new ATOM 0 HB THR A 44 -4.770 13.127 1.659 1.00 2.07 H new ATOM 0 HG1 THR A 44 -4.547 13.717 3.917 1.00 2.30 H new ATOM 0 HG21 THR A 44 -4.760 15.500 2.342 1.00 2.53 H new ATOM 0 HG22 THR A 44 -5.827 15.221 0.945 1.00 2.53 H new ATOM 0 HG23 THR A 44 -6.524 15.437 2.568 1.00 2.53 H new ATOM 627 N GLY A 45 -6.199 10.639 0.984 1.00 1.05 N ATOM 628 CA GLY A 45 -6.015 9.202 1.079 1.00 0.80 C ATOM 629 C GLY A 45 -4.809 8.716 0.300 1.00 0.75 C ATOM 630 O GLY A 45 -4.593 9.122 -0.843 1.00 1.14 O ATOM 0 H GLY A 45 -5.881 11.055 0.109 1.00 1.05 H new ATOM 0 HA2 GLY A 45 -5.903 8.922 2.127 1.00 0.80 H new ATOM 0 HA3 GLY A 45 -6.909 8.700 0.709 1.00 0.80 H new ATOM 634 N ILE A 46 -4.022 7.842 0.920 1.00 0.46 N ATOM 635 CA ILE A 46 -2.830 7.295 0.282 1.00 0.39 C ATOM 636 C ILE A 46 -3.115 5.920 -0.316 1.00 0.39 C ATOM 637 O ILE A 46 -3.398 4.966 0.408 1.00 0.57 O ATOM 638 CB ILE A 46 -1.660 7.181 1.281 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.325 8.555 1.873 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.439 6.574 0.606 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.880 9.576 0.845 1.00 0.55 C ATOM 0 H ILE A 46 -4.189 7.497 1.865 1.00 0.46 H new ATOM 0 HA ILE A 46 -2.548 7.984 -0.514 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.963 6.522 2.095 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.202 8.938 2.395 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.538 8.437 2.617 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.376 6.501 1.326 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.685 5.579 0.235 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.132 7.206 -0.227 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.662 10.521 1.342 1.00 0.55 H new ATOM 0 HD12 ILE A 46 0.016 9.216 0.339 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.674 9.726 0.114 1.00 0.55 H new ATOM 653 N TYR A 47 -3.035 5.827 -1.640 1.00 0.30 N ATOM 654 CA TYR A 47 -3.286 4.569 -2.332 1.00 0.30 C ATOM 655 C TYR A 47 -2.359 4.409 -3.535 1.00 0.26 C ATOM 656 O TYR A 47 -2.126 5.359 -4.283 1.00 0.29 O ATOM 657 CB TYR A 47 -4.747 4.496 -2.783 1.00 0.36 C ATOM 658 CG TYR A 47 -5.164 5.627 -3.698 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.589 6.844 -3.178 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.129 5.479 -5.079 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.969 7.879 -4.009 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.508 6.511 -5.917 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.930 7.705 -5.380 1.00 0.58 C ATOM 664 OH TYR A 47 -6.306 8.738 -6.207 1.00 0.70 O ATOM 0 H TYR A 47 -2.799 6.607 -2.254 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.085 3.755 -1.636 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.912 3.548 -3.295 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.389 4.499 -1.902 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.622 6.982 -2.107 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.800 4.542 -5.505 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.295 8.820 -3.590 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.473 6.380 -6.989 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.221 8.456 -7.142 1.00 0.70 H new ATOM 674 N VAL A 48 -1.830 3.201 -3.710 1.00 0.26 N ATOM 675 CA VAL A 48 -0.932 2.911 -4.822 1.00 0.25 C ATOM 676 C VAL A 48 -1.675 2.959 -6.153 1.00 0.28 C ATOM 677 O VAL A 48 -2.708 2.309 -6.323 1.00 0.39 O ATOM 678 CB VAL A 48 -0.268 1.528 -4.663 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.598 1.202 -5.871 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.554 1.479 -3.386 1.00 0.29 C ATOM 0 H VAL A 48 -2.008 2.407 -3.095 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.158 3.678 -4.814 1.00 0.25 H new ATOM 0 HB VAL A 48 -1.054 0.776 -4.598 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.056 0.222 -5.737 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -0.019 1.194 -6.769 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.378 1.956 -5.974 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.016 0.497 -3.288 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.330 2.243 -3.424 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.094 1.662 -2.529 1.00 0.29 H new ATOM 690 N LYS A 49 -1.137 3.732 -7.091 1.00 0.31 N ATOM 691 CA LYS A 49 -1.743 3.876 -8.410 1.00 0.38 C ATOM 692 C LYS A 49 -1.035 2.994 -9.437 1.00 0.32 C ATOM 693 O LYS A 49 -1.651 2.527 -10.395 1.00 0.37 O ATOM 694 CB LYS A 49 -1.699 5.342 -8.850 1.00 0.49 C ATOM 695 CG LYS A 49 -2.250 5.583 -10.246 1.00 0.61 C ATOM 696 CD LYS A 49 -2.194 7.057 -10.615 1.00 0.84 C ATOM 697 CE LYS A 49 -2.637 7.292 -12.049 1.00 1.65 C ATOM 698 NZ LYS A 49 -1.746 6.607 -13.026 1.00 2.40 N ATOM 0 H LYS A 49 -0.280 4.270 -6.961 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.782 3.554 -8.347 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.266 5.942 -8.138 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -0.667 5.692 -8.812 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -1.678 5.003 -10.970 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -3.281 5.232 -10.298 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.832 7.626 -9.939 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -1.178 7.427 -10.482 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -3.659 6.934 -12.176 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -2.646 8.362 -12.255 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -1.893 7.011 -13.973 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -0.754 6.740 -12.743 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -1.968 5.591 -13.045 1.00 2.40 H new ATOM 712 N SER A 50 0.260 2.770 -9.232 1.00 0.28 N ATOM 713 CA SER A 50 1.044 1.942 -10.144 1.00 0.35 C ATOM 714 C SER A 50 2.282 1.377 -9.454 1.00 0.28 C ATOM 715 O SER A 50 2.606 1.755 -8.328 1.00 0.25 O ATOM 716 CB SER A 50 1.455 2.750 -11.376 1.00 0.49 C ATOM 717 OG SER A 50 2.241 3.873 -11.013 1.00 1.28 O ATOM 0 H SER A 50 0.787 3.149 -8.445 1.00 0.28 H new ATOM 0 HA SER A 50 0.418 1.106 -10.457 1.00 0.35 H new ATOM 0 HB2 SER A 50 2.018 2.115 -12.060 1.00 0.49 H new ATOM 0 HB3 SER A 50 0.565 3.083 -11.910 1.00 0.49 H new ATOM 0 HG SER A 50 2.492 4.371 -11.819 1.00 1.28 H new ATOM 723 N LEU A 51 2.971 0.471 -10.145 1.00 0.32 N ATOM 724 CA LEU A 51 4.173 -0.157 -9.606 1.00 0.27 C ATOM 725 C LEU A 51 5.326 -0.069 -10.602 1.00 0.27 C ATOM 726 O LEU A 51 5.132 -0.229 -11.808 1.00 0.42 O ATOM 727 CB LEU A 51 3.893 -1.621 -9.263 1.00 0.30 C ATOM 728 CG LEU A 51 2.805 -1.845 -8.210 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.408 -3.312 -8.159 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.279 -1.374 -6.843 1.00 0.32 C ATOM 0 H LEU A 51 2.716 0.156 -11.081 1.00 0.32 H new ATOM 0 HA LEU A 51 4.459 0.376 -8.699 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.606 -2.143 -10.176 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.817 -2.079 -8.911 1.00 0.30 H new ATOM 0 HG LEU A 51 1.929 -1.260 -8.491 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.634 -3.453 -7.405 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.027 -3.620 -9.133 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.278 -3.916 -7.903 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.492 -1.541 -6.108 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.170 -1.932 -6.555 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.515 -0.311 -6.886 1.00 0.32 H new ATOM 742 N ILE A 52 6.528 0.183 -10.089 1.00 0.24 N ATOM 743 CA ILE A 52 7.715 0.290 -10.931 1.00 0.24 C ATOM 744 C ILE A 52 8.207 -1.095 -11.360 1.00 0.23 C ATOM 745 O ILE A 52 8.580 -1.910 -10.516 1.00 0.28 O ATOM 746 CB ILE A 52 8.857 1.026 -10.198 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.411 2.433 -9.784 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.102 1.091 -11.073 1.00 0.31 C ATOM 749 CD1 ILE A 52 8.051 3.332 -10.951 1.00 1.26 C ATOM 0 H ILE A 52 6.705 0.317 -9.093 1.00 0.24 H new ATOM 0 HA ILE A 52 7.432 0.863 -11.814 1.00 0.24 H new ATOM 0 HB ILE A 52 9.104 0.466 -9.296 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.549 2.350 -9.122 1.00 0.36 H new ATOM 0 HG13 ILE A 52 9.210 2.902 -9.209 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.895 1.613 -10.539 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.431 0.080 -11.313 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.872 1.626 -11.994 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.746 4.309 -10.577 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.917 3.447 -11.602 1.00 1.26 H new ATOM 0 HD13 ILE A 52 7.231 2.887 -11.514 1.00 1.26 H new ATOM 761 N PRO A 53 8.218 -1.383 -12.678 1.00 0.31 N ATOM 762 CA PRO A 53 8.670 -2.679 -13.192 1.00 0.35 C ATOM 763 C PRO A 53 10.168 -2.887 -12.997 1.00 0.34 C ATOM 764 O PRO A 53 10.985 -2.243 -13.655 1.00 0.46 O ATOM 765 CB PRO A 53 8.328 -2.615 -14.684 1.00 0.43 C ATOM 766 CG PRO A 53 8.301 -1.161 -15.003 1.00 0.82 C ATOM 767 CD PRO A 53 7.798 -0.476 -13.764 1.00 0.47 C ATOM 0 HA PRO A 53 8.195 -3.510 -12.671 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.073 -3.138 -15.284 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.366 -3.084 -14.890 1.00 0.43 H new ATOM 0 HG2 PRO A 53 9.294 -0.802 -15.272 1.00 0.82 H new ATOM 0 HG3 PRO A 53 7.649 -0.960 -15.853 1.00 0.82 H new ATOM 0 HD2 PRO A 53 8.233 0.517 -13.649 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.716 -0.349 -13.786 1.00 0.47 H new ATOM 775 N GLY A 54 10.521 -3.791 -12.088 1.00 0.39 N ATOM 776 CA GLY A 54 11.920 -4.068 -11.818 1.00 0.41 C ATOM 777 C GLY A 54 12.259 -3.954 -10.344 1.00 0.39 C ATOM 778 O GLY A 54 13.379 -4.258 -9.933 1.00 0.49 O ATOM 0 H GLY A 54 9.862 -4.337 -11.533 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.163 -5.072 -12.167 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.541 -3.375 -12.385 1.00 0.41 H new ATOM 782 N SER A 55 11.288 -3.518 -9.547 1.00 0.35 N ATOM 783 CA SER A 55 11.490 -3.366 -8.111 1.00 0.35 C ATOM 784 C SER A 55 11.037 -4.613 -7.358 1.00 0.32 C ATOM 785 O SER A 55 10.659 -5.613 -7.968 1.00 0.36 O ATOM 786 CB SER A 55 10.732 -2.141 -7.595 1.00 0.37 C ATOM 787 OG SER A 55 11.153 -0.963 -8.261 1.00 1.23 O ATOM 0 H SER A 55 10.355 -3.264 -9.871 1.00 0.35 H new ATOM 0 HA SER A 55 12.557 -3.227 -7.934 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.661 -2.283 -7.743 1.00 0.37 H new ATOM 0 HB3 SER A 55 10.894 -2.034 -6.523 1.00 0.37 H new ATOM 0 HG SER A 55 10.911 -0.180 -7.725 1.00 1.23 H new ATOM 793 N ALA A 56 11.075 -4.548 -6.032 1.00 0.35 N ATOM 794 CA ALA A 56 10.674 -5.676 -5.199 1.00 0.36 C ATOM 795 C ALA A 56 9.161 -5.871 -5.219 1.00 0.32 C ATOM 796 O ALA A 56 8.673 -6.998 -5.315 1.00 0.34 O ATOM 797 CB ALA A 56 11.162 -5.476 -3.772 1.00 0.42 C ATOM 0 H ALA A 56 11.379 -3.726 -5.510 1.00 0.35 H new ATOM 0 HA ALA A 56 11.133 -6.576 -5.609 1.00 0.36 H new ATOM 0 HB1 ALA A 56 10.856 -6.325 -3.161 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.249 -5.398 -3.767 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.731 -4.561 -3.365 1.00 0.42 H new ATOM 803 N ALA A 57 8.423 -4.767 -5.131 1.00 0.30 N ATOM 804 CA ALA A 57 6.965 -4.820 -5.132 1.00 0.30 C ATOM 805 C ALA A 57 6.429 -5.407 -6.434 1.00 0.30 C ATOM 806 O ALA A 57 5.502 -6.216 -6.425 1.00 0.35 O ATOM 807 CB ALA A 57 6.386 -3.431 -4.903 1.00 0.32 C ATOM 0 H ALA A 57 8.811 -3.826 -5.058 1.00 0.30 H new ATOM 0 HA ALA A 57 6.655 -5.474 -4.317 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.297 -3.486 -4.906 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.727 -3.049 -3.941 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.718 -2.763 -5.698 1.00 0.32 H new ATOM 813 N ALA A 58 7.018 -4.992 -7.551 1.00 0.31 N ATOM 814 CA ALA A 58 6.600 -5.474 -8.863 1.00 0.33 C ATOM 815 C ALA A 58 6.957 -6.944 -9.053 1.00 0.34 C ATOM 816 O ALA A 58 6.093 -7.768 -9.356 1.00 0.44 O ATOM 817 CB ALA A 58 7.231 -4.628 -9.959 1.00 0.37 C ATOM 0 H ALA A 58 7.787 -4.322 -7.574 1.00 0.31 H new ATOM 0 HA ALA A 58 5.516 -5.384 -8.926 1.00 0.33 H new ATOM 0 HB1 ALA A 58 6.911 -4.998 -10.933 1.00 0.37 H new ATOM 0 HB2 ALA A 58 6.917 -3.590 -9.844 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.317 -4.689 -9.886 1.00 0.37 H new ATOM 823 N LEU A 59 8.235 -7.268 -8.875 1.00 0.35 N ATOM 824 CA LEU A 59 8.708 -8.640 -9.031 1.00 0.39 C ATOM 825 C LEU A 59 7.993 -9.584 -8.068 1.00 0.42 C ATOM 826 O LEU A 59 7.979 -10.798 -8.273 1.00 0.57 O ATOM 827 CB LEU A 59 10.222 -8.711 -8.809 1.00 0.47 C ATOM 828 CG LEU A 59 11.067 -7.965 -9.845 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.534 -7.976 -9.447 1.00 0.66 C ATOM 830 CD2 LEU A 59 10.885 -8.578 -11.226 1.00 0.61 C ATOM 0 H LEU A 59 8.962 -6.598 -8.622 1.00 0.35 H new ATOM 0 HA LEU A 59 8.482 -8.957 -10.049 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.448 -8.309 -7.821 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.524 -9.758 -8.803 1.00 0.47 H new ATOM 0 HG LEU A 59 10.728 -6.930 -9.881 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.118 -7.441 -10.196 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.652 -7.489 -8.479 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.885 -9.006 -9.381 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.493 -8.034 -11.949 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.195 -9.623 -11.204 1.00 0.61 H new ATOM 0 HD23 LEU A 59 9.836 -8.517 -11.516 1.00 0.61 H new ATOM 842 N ASP A 60 7.405 -9.022 -7.015 1.00 0.44 N ATOM 843 CA ASP A 60 6.688 -9.819 -6.025 1.00 0.52 C ATOM 844 C ASP A 60 5.535 -10.579 -6.675 1.00 0.61 C ATOM 845 O ASP A 60 5.387 -11.787 -6.483 1.00 0.79 O ATOM 846 CB ASP A 60 6.159 -8.926 -4.901 1.00 0.74 C ATOM 847 CG ASP A 60 5.469 -9.720 -3.809 1.00 1.08 C ATOM 848 OD1 ASP A 60 6.157 -10.140 -2.854 1.00 1.32 O ATOM 849 OD2 ASP A 60 4.241 -9.922 -3.909 1.00 1.86 O ATOM 0 H ASP A 60 7.411 -8.020 -6.826 1.00 0.44 H new ATOM 0 HA ASP A 60 7.386 -10.542 -5.602 1.00 0.52 H new ATOM 0 HB2 ASP A 60 6.986 -8.362 -4.469 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.460 -8.200 -5.316 1.00 0.74 H new ATOM 854 N GLY A 61 4.720 -9.863 -7.446 1.00 0.72 N ATOM 855 CA GLY A 61 3.595 -10.484 -8.120 1.00 1.06 C ATOM 856 C GLY A 61 2.283 -10.286 -7.387 1.00 0.83 C ATOM 857 O GLY A 61 1.287 -9.879 -7.986 1.00 0.94 O ATOM 0 H GLY A 61 4.820 -8.862 -7.615 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.509 -10.073 -9.126 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.787 -11.551 -8.228 1.00 1.06 H new ATOM 861 N ARG A 62 2.280 -10.575 -6.088 1.00 0.63 N ATOM 862 CA ARG A 62 1.076 -10.433 -5.277 1.00 0.59 C ATOM 863 C ARG A 62 0.580 -8.991 -5.277 1.00 0.52 C ATOM 864 O ARG A 62 -0.614 -8.736 -5.436 1.00 0.69 O ATOM 865 CB ARG A 62 1.343 -10.890 -3.841 1.00 0.67 C ATOM 866 CG ARG A 62 1.934 -12.288 -3.747 1.00 0.81 C ATOM 867 CD ARG A 62 2.102 -12.726 -2.301 1.00 1.05 C ATOM 868 NE ARG A 62 0.819 -12.884 -1.625 1.00 1.31 N ATOM 869 CZ ARG A 62 0.664 -13.538 -0.476 1.00 1.93 C ATOM 870 NH1 ARG A 62 1.712 -14.086 0.125 1.00 2.26 N ATOM 871 NH2 ARG A 62 -0.539 -13.645 0.071 1.00 2.59 N ATOM 0 H ARG A 62 3.097 -10.908 -5.576 1.00 0.63 H new ATOM 0 HA ARG A 62 0.302 -11.063 -5.715 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.023 -10.184 -3.365 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.409 -10.861 -3.280 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.287 -12.993 -4.269 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.901 -12.310 -4.250 1.00 0.81 H new ATOM 0 HD2 ARG A 62 2.647 -13.669 -2.269 1.00 1.05 H new ATOM 0 HD3 ARG A 62 2.705 -11.991 -1.767 1.00 1.05 H new ATOM 0 HE ARG A 62 -0.007 -12.470 -2.058 1.00 1.31 H new ATOM 0 HH11 ARG A 62 2.639 -14.007 -0.293 1.00 2.26 H new ATOM 0 HH12 ARG A 62 1.591 -14.587 1.005 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -1.347 -13.226 -0.389 1.00 2.59 H new ATOM 0 HH22 ARG A 62 -0.656 -14.146 0.951 1.00 2.59 H new ATOM 885 N ILE A 63 1.502 -8.049 -5.101 1.00 0.48 N ATOM 886 CA ILE A 63 1.153 -6.634 -5.079 1.00 0.48 C ATOM 887 C ILE A 63 0.682 -6.163 -6.451 1.00 0.49 C ATOM 888 O ILE A 63 1.452 -6.144 -7.412 1.00 0.59 O ATOM 889 CB ILE A 63 2.343 -5.765 -4.622 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.825 -6.218 -3.242 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.946 -4.294 -4.595 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.079 -5.514 -2.772 1.00 0.92 C ATOM 0 H ILE A 63 2.495 -8.241 -4.972 1.00 0.48 H new ATOM 0 HA ILE A 63 0.340 -6.520 -4.362 1.00 0.48 H new ATOM 0 HB ILE A 63 3.161 -5.886 -5.333 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.030 -6.048 -2.516 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.010 -7.292 -3.266 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.796 -3.694 -4.271 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.641 -3.981 -5.594 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.117 -4.154 -3.901 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.359 -5.888 -1.787 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.889 -5.705 -3.476 1.00 0.92 H new ATOM 0 HD13 ILE A 63 3.894 -4.441 -2.714 1.00 0.92 H new ATOM 904 N GLU A 64 -0.591 -5.789 -6.534 1.00 0.51 N ATOM 905 CA GLU A 64 -1.176 -5.319 -7.784 1.00 0.58 C ATOM 906 C GLU A 64 -1.637 -3.866 -7.649 1.00 0.56 C ATOM 907 O GLU A 64 -2.175 -3.482 -6.611 1.00 0.66 O ATOM 908 CB GLU A 64 -2.358 -6.211 -8.175 1.00 0.79 C ATOM 909 CG GLU A 64 -2.998 -5.838 -9.503 1.00 1.09 C ATOM 910 CD GLU A 64 -4.151 -6.750 -9.871 1.00 1.39 C ATOM 911 OE1 GLU A 64 -3.894 -7.823 -10.457 1.00 1.67 O ATOM 912 OE2 GLU A 64 -5.311 -6.393 -9.575 1.00 1.98 O ATOM 0 H GLU A 64 -1.239 -5.803 -5.747 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.417 -5.370 -8.564 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.019 -7.246 -8.224 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.114 -6.160 -7.391 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.355 -4.809 -9.454 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -2.244 -5.877 -10.289 1.00 1.09 H new ATOM 919 N PRO A 65 -1.421 -3.034 -8.692 1.00 0.56 N ATOM 920 CA PRO A 65 -1.828 -1.624 -8.675 1.00 0.64 C ATOM 921 C PRO A 65 -3.264 -1.430 -8.192 1.00 0.72 C ATOM 922 O PRO A 65 -4.030 -2.390 -8.093 1.00 1.44 O ATOM 923 CB PRO A 65 -1.699 -1.204 -10.139 1.00 0.77 C ATOM 924 CG PRO A 65 -0.632 -2.084 -10.690 1.00 0.83 C ATOM 925 CD PRO A 65 -0.754 -3.397 -9.962 1.00 0.62 C ATOM 0 HA PRO A 65 -1.219 -1.036 -7.988 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -2.639 -1.338 -10.674 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.430 -0.152 -10.227 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -0.756 -2.221 -11.764 1.00 0.83 H new ATOM 0 HG3 PRO A 65 0.353 -1.644 -10.537 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -1.342 -4.117 -10.531 1.00 0.62 H new ATOM 0 HD3 PRO A 65 0.222 -3.850 -9.787 1.00 0.62 H new ATOM 933 N ASN A 66 -3.619 -0.181 -7.897 1.00 0.60 N ATOM 934 CA ASN A 66 -4.959 0.150 -7.419 1.00 0.59 C ATOM 935 C ASN A 66 -5.224 -0.509 -6.068 1.00 0.51 C ATOM 936 O ASN A 66 -6.142 -1.318 -5.923 1.00 0.73 O ATOM 937 CB ASN A 66 -6.017 -0.285 -8.441 1.00 0.66 C ATOM 938 CG ASN A 66 -7.386 0.301 -8.151 1.00 1.34 C ATOM 939 OD1 ASN A 66 -7.732 0.566 -7.000 1.00 2.15 O ATOM 940 ND2 ASN A 66 -8.175 0.505 -9.200 1.00 2.01 N ATOM 0 H ASN A 66 -2.994 0.621 -7.981 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.021 1.231 -7.295 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -5.700 0.019 -9.438 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -6.086 -1.373 -8.446 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -9.108 0.896 -9.068 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -7.848 0.271 -10.137 1.00 2.01 H new ATOM 947 N ASP A 67 -4.408 -0.152 -5.080 1.00 0.36 N ATOM 948 CA ASP A 67 -4.536 -0.700 -3.734 1.00 0.34 C ATOM 949 C ASP A 67 -4.442 0.410 -2.692 1.00 0.30 C ATOM 950 O ASP A 67 -3.876 1.470 -2.957 1.00 0.38 O ATOM 951 CB ASP A 67 -3.446 -1.746 -3.487 1.00 0.41 C ATOM 952 CG ASP A 67 -3.334 -2.139 -2.028 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.595 -1.463 -1.283 1.00 1.46 O ATOM 954 OD2 ASP A 67 -3.988 -3.126 -1.628 1.00 2.02 O ATOM 0 H ASP A 67 -3.647 0.518 -5.188 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.513 -1.176 -3.645 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.658 -2.634 -4.083 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -2.488 -1.354 -3.828 1.00 0.41 H new ATOM 959 N LYS A 68 -4.999 0.170 -1.507 1.00 0.27 N ATOM 960 CA LYS A 68 -4.967 1.165 -0.443 1.00 0.28 C ATOM 961 C LYS A 68 -4.032 0.733 0.685 1.00 0.26 C ATOM 962 O LYS A 68 -4.296 -0.243 1.384 1.00 0.38 O ATOM 963 CB LYS A 68 -6.373 1.403 0.105 1.00 0.37 C ATOM 964 CG LYS A 68 -6.442 2.514 1.136 1.00 0.53 C ATOM 965 CD LYS A 68 -7.870 2.771 1.585 1.00 0.53 C ATOM 966 CE LYS A 68 -7.946 3.959 2.528 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.341 4.236 2.967 1.00 1.02 N ATOM 0 H LYS A 68 -5.474 -0.699 -1.262 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.588 2.096 -0.865 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.041 1.644 -0.722 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.741 0.480 0.553 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.831 2.249 1.999 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.022 3.428 0.716 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.500 2.954 0.714 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.263 1.884 2.082 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.322 3.769 3.401 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.540 4.841 2.033 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.347 5.054 3.609 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.932 4.443 2.136 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.721 3.404 3.463 1.00 1.02 H new ATOM 981 N ILE A 69 -2.939 1.471 0.853 1.00 0.24 N ATOM 982 CA ILE A 69 -1.962 1.170 1.893 1.00 0.21 C ATOM 983 C ILE A 69 -2.495 1.561 3.269 1.00 0.21 C ATOM 984 O ILE A 69 -3.188 2.568 3.413 1.00 0.29 O ATOM 985 CB ILE A 69 -0.629 1.902 1.638 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.151 1.655 0.203 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.427 1.455 2.640 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.125 0.198 -0.108 1.00 0.28 C ATOM 0 H ILE A 69 -2.708 2.283 0.281 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.785 0.095 1.867 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.791 2.972 1.768 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.905 2.028 -0.490 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.757 2.232 0.028 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.361 1.982 2.444 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.088 1.681 3.651 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.589 0.382 2.543 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.459 0.103 -1.141 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.901 -0.176 0.560 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.786 -0.383 0.033 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.168 0.757 4.279 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.621 1.020 5.640 1.00 0.21 C ATOM 1002 C LEU A 70 -1.445 1.303 6.574 1.00 0.20 C ATOM 1003 O LEU A 70 -1.294 2.418 7.079 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.430 -0.167 6.169 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.654 -0.548 5.330 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.292 -1.822 5.861 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.667 0.588 5.315 1.00 0.38 C ATOM 0 H LEU A 70 -1.593 -0.079 4.179 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.255 1.906 5.613 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.772 -1.033 6.237 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.761 0.062 7.182 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.324 -0.729 4.307 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.159 -2.076 5.252 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.568 -2.636 5.819 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.606 -1.669 6.893 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.529 0.299 4.714 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.990 0.801 6.334 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.208 1.479 4.886 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.613 0.290 6.805 1.00 0.20 N ATOM 1020 CA ARG A 71 0.538 0.442 7.689 1.00 0.25 C ATOM 1021 C ARG A 71 1.765 -0.283 7.142 1.00 0.18 C ATOM 1022 O ARG A 71 1.658 -1.364 6.564 1.00 0.26 O ATOM 1023 CB ARG A 71 0.206 -0.093 9.084 1.00 0.38 C ATOM 1024 CG ARG A 71 -1.008 0.567 9.718 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.341 -0.054 11.065 1.00 0.77 C ATOM 1026 NE ARG A 71 -0.246 0.090 12.021 1.00 1.38 N ATOM 1027 CZ ARG A 71 -0.282 -0.393 13.259 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -1.354 -1.046 13.691 1.00 1.17 N ATOM 1029 NH2 ARG A 71 0.756 -0.224 14.068 1.00 2.61 N ATOM 0 H ARG A 71 -0.714 -0.639 6.395 1.00 0.20 H new ATOM 0 HA ARG A 71 0.769 1.505 7.749 1.00 0.25 H new ATOM 0 HB2 ARG A 71 0.033 -1.167 9.020 1.00 0.38 H new ATOM 0 HB3 ARG A 71 1.069 0.052 9.734 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -0.819 1.633 9.845 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -1.865 0.472 9.051 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -2.238 0.415 11.468 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -1.568 -1.112 10.930 1.00 0.77 H new ATOM 0 HE ARG A 71 0.592 0.589 11.722 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -2.154 -1.179 13.072 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -1.378 -1.415 14.642 1.00 1.17 H new ATOM 0 HH21 ARG A 71 1.582 0.277 13.740 1.00 2.61 H new ATOM 0 HH22 ARG A 71 0.728 -0.595 15.018 1.00 2.61 H new ATOM 1043 N VAL A 72 2.931 0.329 7.327 1.00 0.21 N ATOM 1044 CA VAL A 72 4.190 -0.252 6.876 1.00 0.17 C ATOM 1045 C VAL A 72 4.915 -0.896 8.057 1.00 0.17 C ATOM 1046 O VAL A 72 4.454 -0.800 9.193 1.00 0.20 O ATOM 1047 CB VAL A 72 5.104 0.818 6.237 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.214 0.176 5.419 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.288 1.772 5.376 1.00 0.28 C ATOM 0 H VAL A 72 3.029 1.233 7.789 1.00 0.21 H new ATOM 0 HA VAL A 72 3.962 -1.006 6.123 1.00 0.17 H new ATOM 0 HB VAL A 72 5.568 1.387 7.042 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.840 0.954 4.982 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.821 -0.459 6.064 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.777 -0.428 4.623 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.948 2.518 4.934 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.791 1.212 4.583 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.540 2.269 5.993 1.00 0.28 H new ATOM 1059 N ASP A 73 6.030 -1.570 7.786 1.00 0.18 N ATOM 1060 CA ASP A 73 6.809 -2.212 8.841 1.00 0.21 C ATOM 1061 C ASP A 73 7.081 -1.246 9.992 1.00 0.22 C ATOM 1062 O ASP A 73 7.872 -0.312 9.856 1.00 0.23 O ATOM 1063 CB ASP A 73 8.136 -2.722 8.281 1.00 0.26 C ATOM 1064 CG ASP A 73 8.821 -3.699 9.216 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.528 -4.910 9.127 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.652 -3.256 10.035 1.00 0.56 O ATOM 0 H ASP A 73 6.413 -1.685 6.848 1.00 0.18 H new ATOM 0 HA ASP A 73 6.226 -3.051 9.222 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.960 -3.206 7.320 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.798 -1.876 8.095 1.00 0.26 H new ATOM 1071 N ASP A 74 6.421 -1.480 11.124 1.00 0.25 N ATOM 1072 CA ASP A 74 6.591 -0.639 12.308 1.00 0.29 C ATOM 1073 C ASP A 74 6.320 0.832 11.995 1.00 0.25 C ATOM 1074 O ASP A 74 6.891 1.724 12.623 1.00 0.29 O ATOM 1075 CB ASP A 74 8.006 -0.803 12.871 1.00 0.35 C ATOM 1076 CG ASP A 74 8.253 -2.195 13.418 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.387 -3.137 12.607 1.00 2.01 O ATOM 1078 OD2 ASP A 74 8.312 -2.344 14.656 1.00 1.34 O ATOM 0 H ASP A 74 5.761 -2.248 11.247 1.00 0.25 H new ATOM 0 HA ASP A 74 5.865 -0.962 13.054 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.733 -0.589 12.087 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.166 -0.071 13.662 1.00 0.35 H new ATOM 1083 N VAL A 75 5.444 1.079 11.025 1.00 0.27 N ATOM 1084 CA VAL A 75 5.096 2.441 10.627 1.00 0.27 C ATOM 1085 C VAL A 75 3.627 2.531 10.213 1.00 0.37 C ATOM 1086 O VAL A 75 3.042 1.551 9.753 1.00 0.79 O ATOM 1087 CB VAL A 75 5.982 2.930 9.459 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.592 4.337 9.031 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.453 2.880 9.844 1.00 0.41 C ATOM 0 H VAL A 75 4.960 0.352 10.498 1.00 0.27 H new ATOM 0 HA VAL A 75 5.267 3.080 11.493 1.00 0.27 H new ATOM 0 HB VAL A 75 5.822 2.261 8.613 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.231 4.657 8.208 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.551 4.343 8.707 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.714 5.020 9.872 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.060 3.228 9.008 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.625 3.521 10.709 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.730 1.855 10.091 1.00 0.41 H new ATOM 1099 N ASN A 76 3.036 3.710 10.388 1.00 0.30 N ATOM 1100 CA ASN A 76 1.637 3.934 10.028 1.00 0.37 C ATOM 1101 C ASN A 76 1.522 5.048 8.991 1.00 0.42 C ATOM 1102 O ASN A 76 2.021 6.152 9.204 1.00 0.58 O ATOM 1103 CB ASN A 76 0.821 4.292 11.272 1.00 0.46 C ATOM 1104 CG ASN A 76 -0.639 4.555 10.957 1.00 1.35 C ATOM 1105 OD1 ASN A 76 -1.159 3.876 9.942 1.00 2.24 O flip ATOM 1106 ND2 ASN A 76 -1.293 5.360 11.621 1.00 2.08 N flip ATOM 0 H ASN A 76 3.505 4.528 10.778 1.00 0.30 H new ATOM 0 HA ASN A 76 1.242 3.014 9.597 1.00 0.37 H new ATOM 0 HB2 ASN A 76 0.892 3.479 11.995 1.00 0.46 H new ATOM 0 HB3 ASN A 76 1.252 5.176 11.743 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -0.853 5.861 12.393 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -2.275 5.526 11.399 1.00 2.08 H new ATOM 1113 N VAL A 77 0.858 4.760 7.873 1.00 0.35 N ATOM 1114 CA VAL A 77 0.701 5.751 6.812 1.00 0.43 C ATOM 1115 C VAL A 77 -0.728 6.280 6.741 1.00 0.53 C ATOM 1116 O VAL A 77 -1.144 6.827 5.721 1.00 0.67 O ATOM 1117 CB VAL A 77 1.093 5.179 5.436 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.560 4.783 5.419 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.211 3.996 5.072 1.00 0.53 C ATOM 0 H VAL A 77 0.424 3.857 7.680 1.00 0.35 H new ATOM 0 HA VAL A 77 1.373 6.573 7.061 1.00 0.43 H new ATOM 0 HB VAL A 77 0.941 5.957 4.688 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.817 4.381 4.439 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.176 5.659 5.625 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.741 4.025 6.181 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.506 3.609 4.097 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.324 3.214 5.822 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.830 4.316 5.035 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.475 6.116 7.828 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.854 6.589 7.877 1.00 0.72 C ATOM 1131 C GLN A 78 -2.918 7.982 8.492 1.00 0.61 C ATOM 1132 O GLN A 78 -3.963 8.408 8.988 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.727 5.618 8.674 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.772 4.217 8.086 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.262 4.201 6.651 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.473 4.298 5.712 1.00 1.39 O ATOM 1137 NE2 GLN A 78 -5.572 4.078 6.474 1.00 1.05 N ATOM 0 H GLN A 78 -1.151 5.662 8.682 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.235 6.641 6.857 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.353 5.562 9.696 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.741 6.014 8.727 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.776 3.776 8.131 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.425 3.592 8.696 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.191 4.000 7.281 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -5.960 4.061 5.531 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.792 8.686 8.452 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.728 10.026 9.006 1.00 0.48 C ATOM 1148 C GLY A 79 -0.541 10.811 8.485 1.00 0.41 C ATOM 1149 O GLY A 79 -0.201 11.864 9.025 1.00 0.55 O ATOM 0 H GLY A 79 -0.919 8.351 8.044 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.647 10.560 8.765 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -1.671 9.964 10.093 1.00 0.48 H new ATOM 1153 N MET A 80 0.093 10.298 7.432 1.00 0.32 N ATOM 1154 CA MET A 80 1.249 10.961 6.841 1.00 0.33 C ATOM 1155 C MET A 80 0.973 11.341 5.390 1.00 0.30 C ATOM 1156 O MET A 80 0.285 10.619 4.668 1.00 0.34 O ATOM 1157 CB MET A 80 2.477 10.055 6.920 1.00 0.39 C ATOM 1158 CG MET A 80 2.820 9.616 8.335 1.00 0.46 C ATOM 1159 SD MET A 80 4.400 8.753 8.434 1.00 0.52 S ATOM 1160 CE MET A 80 4.140 7.421 7.264 1.00 0.48 C ATOM 0 H MET A 80 -0.175 9.427 6.973 1.00 0.32 H new ATOM 0 HA MET A 80 1.444 11.873 7.405 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.306 9.171 6.306 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.333 10.579 6.494 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.847 10.490 8.985 1.00 0.46 H new ATOM 0 HG3 MET A 80 2.031 8.964 8.710 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.134 6.468 7.793 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.184 7.562 6.759 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.943 7.422 6.527 1.00 0.48 H new ATOM 1170 N ALA A 81 1.515 12.480 4.970 1.00 0.29 N ATOM 1171 CA ALA A 81 1.330 12.959 3.606 1.00 0.31 C ATOM 1172 C ALA A 81 2.123 12.113 2.615 1.00 0.26 C ATOM 1173 O ALA A 81 2.972 11.314 3.009 1.00 0.23 O ATOM 1174 CB ALA A 81 1.734 14.421 3.497 1.00 0.39 C ATOM 0 H ALA A 81 2.086 13.089 5.556 1.00 0.29 H new ATOM 0 HA ALA A 81 0.273 12.868 3.357 1.00 0.31 H new ATOM 0 HB1 ALA A 81 1.590 14.763 2.472 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.119 15.019 4.169 1.00 0.39 H new ATOM 0 HB3 ALA A 81 2.783 14.530 3.772 1.00 0.39 H new ATOM 1180 N GLN A 82 1.840 12.298 1.329 1.00 0.33 N ATOM 1181 CA GLN A 82 2.516 11.550 0.273 1.00 0.35 C ATOM 1182 C GLN A 82 4.034 11.584 0.448 1.00 0.31 C ATOM 1183 O GLN A 82 4.679 10.539 0.535 1.00 0.31 O ATOM 1184 CB GLN A 82 2.138 12.119 -1.097 1.00 0.42 C ATOM 1185 CG GLN A 82 2.805 11.405 -2.260 1.00 0.51 C ATOM 1186 CD GLN A 82 2.447 12.016 -3.601 1.00 0.76 C ATOM 1187 OE1 GLN A 82 2.191 13.215 -3.702 1.00 1.52 O ATOM 1188 NE2 GLN A 82 2.427 11.190 -4.641 1.00 0.74 N ATOM 0 H GLN A 82 1.144 12.963 0.992 1.00 0.33 H new ATOM 0 HA GLN A 82 2.191 10.512 0.338 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.056 12.061 -1.219 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.406 13.175 -1.129 1.00 0.42 H new ATOM 0 HG2 GLN A 82 3.887 11.435 -2.128 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.512 10.355 -2.253 1.00 0.51 H new ATOM 0 HE21 GLN A 82 2.646 10.202 -4.512 1.00 0.74 H new ATOM 0 HE22 GLN A 82 2.193 11.544 -5.569 1.00 0.74 H new ATOM 1197 N SER A 83 4.591 12.789 0.503 1.00 0.32 N ATOM 1198 CA SER A 83 6.033 12.970 0.654 1.00 0.35 C ATOM 1199 C SER A 83 6.587 12.165 1.829 1.00 0.30 C ATOM 1200 O SER A 83 7.640 11.536 1.718 1.00 0.35 O ATOM 1201 CB SER A 83 6.360 14.452 0.843 1.00 0.44 C ATOM 1202 OG SER A 83 5.934 15.215 -0.273 1.00 1.48 O ATOM 0 H SER A 83 4.064 13.660 0.445 1.00 0.32 H new ATOM 0 HA SER A 83 6.507 12.603 -0.256 1.00 0.35 H new ATOM 0 HB2 SER A 83 5.876 14.822 1.747 1.00 0.44 H new ATOM 0 HB3 SER A 83 7.434 14.576 0.983 1.00 0.44 H new ATOM 0 HG SER A 83 6.153 16.159 -0.127 1.00 1.48 H new ATOM 1208 N ASP A 84 5.875 12.189 2.952 1.00 0.24 N ATOM 1209 CA ASP A 84 6.306 11.469 4.148 1.00 0.24 C ATOM 1210 C ASP A 84 6.408 9.967 3.891 1.00 0.20 C ATOM 1211 O ASP A 84 7.425 9.344 4.199 1.00 0.24 O ATOM 1212 CB ASP A 84 5.338 11.732 5.302 1.00 0.27 C ATOM 1213 CG ASP A 84 5.265 13.201 5.673 1.00 1.03 C ATOM 1214 OD1 ASP A 84 6.158 13.674 6.406 1.00 0.97 O ATOM 1215 OD2 ASP A 84 4.314 13.879 5.229 1.00 2.12 O ATOM 0 H ASP A 84 4.998 12.698 3.060 1.00 0.24 H new ATOM 0 HA ASP A 84 7.297 11.836 4.415 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.344 11.380 5.026 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.650 11.155 6.173 1.00 0.27 H new ATOM 1220 N VAL A 85 5.350 9.393 3.330 1.00 0.19 N ATOM 1221 CA VAL A 85 5.315 7.962 3.040 1.00 0.22 C ATOM 1222 C VAL A 85 6.465 7.553 2.121 1.00 0.21 C ATOM 1223 O VAL A 85 7.027 6.467 2.262 1.00 0.24 O ATOM 1224 CB VAL A 85 3.978 7.556 2.390 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.888 6.045 2.243 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.806 8.083 3.203 1.00 0.30 C ATOM 0 H VAL A 85 4.503 9.896 3.066 1.00 0.19 H new ATOM 0 HA VAL A 85 5.420 7.444 3.993 1.00 0.22 H new ATOM 0 HB VAL A 85 3.934 8.000 1.395 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.936 5.780 1.782 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.706 5.691 1.616 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.957 5.579 3.226 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.871 7.786 2.728 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.848 7.671 4.211 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.858 9.171 3.253 1.00 0.30 H new ATOM 1236 N VAL A 86 6.808 8.427 1.180 1.00 0.22 N ATOM 1237 CA VAL A 86 7.888 8.154 0.237 1.00 0.25 C ATOM 1238 C VAL A 86 9.227 7.997 0.954 1.00 0.24 C ATOM 1239 O VAL A 86 9.960 7.038 0.713 1.00 0.26 O ATOM 1240 CB VAL A 86 8.009 9.272 -0.818 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.183 9.011 -1.750 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.715 9.396 -1.606 1.00 0.34 C ATOM 0 H VAL A 86 6.354 9.331 1.050 1.00 0.22 H new ATOM 0 HA VAL A 86 7.639 7.218 -0.262 1.00 0.25 H new ATOM 0 HB VAL A 86 8.192 10.214 -0.302 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.249 9.813 -2.486 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.106 8.973 -1.171 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.037 8.060 -2.262 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.815 10.189 -2.347 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.504 8.453 -2.110 1.00 0.34 H new ATOM 0 HG23 VAL A 86 5.897 9.635 -0.927 1.00 0.34 H new ATOM 1252 N GLU A 87 9.540 8.944 1.833 1.00 0.25 N ATOM 1253 CA GLU A 87 10.792 8.912 2.581 1.00 0.26 C ATOM 1254 C GLU A 87 10.931 7.611 3.366 1.00 0.24 C ATOM 1255 O GLU A 87 12.008 7.019 3.415 1.00 0.26 O ATOM 1256 CB GLU A 87 10.869 10.106 3.536 1.00 0.32 C ATOM 1257 CG GLU A 87 10.796 11.451 2.832 1.00 0.75 C ATOM 1258 CD GLU A 87 10.863 12.620 3.796 1.00 1.04 C ATOM 1259 OE1 GLU A 87 9.799 13.028 4.307 1.00 1.51 O ATOM 1260 OE2 GLU A 87 11.978 13.126 4.040 1.00 1.19 O ATOM 0 H GLU A 87 8.943 9.744 2.045 1.00 0.25 H new ATOM 0 HA GLU A 87 11.612 8.970 1.865 1.00 0.26 H new ATOM 0 HB2 GLU A 87 10.054 10.038 4.257 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.800 10.050 4.100 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.615 11.527 2.117 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.869 11.508 2.262 1.00 0.75 H new ATOM 1267 N VAL A 88 9.833 7.170 3.973 1.00 0.22 N ATOM 1268 CA VAL A 88 9.829 5.941 4.760 1.00 0.22 C ATOM 1269 C VAL A 88 10.281 4.741 3.934 1.00 0.23 C ATOM 1270 O VAL A 88 11.257 4.071 4.276 1.00 0.25 O ATOM 1271 CB VAL A 88 8.428 5.653 5.335 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.383 4.279 5.989 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.030 6.736 6.325 1.00 0.27 C ATOM 0 H VAL A 88 8.932 7.647 3.935 1.00 0.22 H new ATOM 0 HA VAL A 88 10.533 6.093 5.578 1.00 0.22 H new ATOM 0 HB VAL A 88 7.711 5.657 4.514 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.385 4.098 6.387 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.622 3.516 5.249 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.110 4.238 6.800 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.039 6.519 6.723 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.751 6.764 7.142 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.015 7.702 5.821 1.00 0.27 H new ATOM 1283 N LEU A 89 9.561 4.471 2.851 1.00 0.24 N ATOM 1284 CA LEU A 89 9.876 3.346 1.979 1.00 0.28 C ATOM 1285 C LEU A 89 11.326 3.392 1.505 1.00 0.32 C ATOM 1286 O LEU A 89 11.950 2.352 1.291 1.00 0.39 O ATOM 1287 CB LEU A 89 8.935 3.333 0.774 1.00 0.32 C ATOM 1288 CG LEU A 89 7.446 3.210 1.109 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.606 3.334 -0.152 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.162 1.889 1.811 1.00 0.35 C ATOM 0 H LEU A 89 8.752 5.018 2.555 1.00 0.24 H new ATOM 0 HA LEU A 89 9.739 2.431 2.556 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.088 4.250 0.204 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.214 2.503 0.124 1.00 0.32 H new ATOM 0 HG LEU A 89 7.177 4.022 1.785 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.550 3.244 0.104 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.786 4.304 -0.615 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.879 2.543 -0.850 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.099 1.820 2.041 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.447 1.062 1.160 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.737 1.837 2.736 1.00 0.35 H new ATOM 1302 N ARG A 90 11.859 4.600 1.341 1.00 0.31 N ATOM 1303 CA ARG A 90 13.236 4.772 0.887 1.00 0.37 C ATOM 1304 C ARG A 90 14.223 4.614 2.040 1.00 0.37 C ATOM 1305 O ARG A 90 15.394 4.299 1.827 1.00 0.48 O ATOM 1306 CB ARG A 90 13.415 6.142 0.230 1.00 0.41 C ATOM 1307 CG ARG A 90 12.584 6.326 -1.031 1.00 0.49 C ATOM 1308 CD ARG A 90 12.902 7.643 -1.721 1.00 0.72 C ATOM 1309 NE ARG A 90 12.637 8.792 -0.859 1.00 1.00 N ATOM 1310 CZ ARG A 90 13.019 10.034 -1.143 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.681 10.287 -2.265 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.740 11.023 -0.307 1.00 2.10 N ATOM 0 H ARG A 90 11.360 5.472 1.515 1.00 0.31 H new ATOM 0 HA ARG A 90 13.443 3.994 0.152 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.148 6.918 0.948 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.468 6.284 -0.015 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.773 5.500 -1.716 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.524 6.293 -0.778 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.949 7.650 -2.023 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.308 7.728 -2.631 1.00 0.72 H new ATOM 0 HE ARG A 90 12.130 8.633 0.011 1.00 1.00 H new ATOM 0 HH11 ARG A 90 13.898 9.528 -2.911 1.00 1.82 H new ATOM 0 HH12 ARG A 90 13.973 11.240 -2.481 1.00 1.82 H new ATOM 0 HH21 ARG A 90 12.231 10.833 0.556 1.00 2.10 H new ATOM 0 HH22 ARG A 90 13.034 11.975 -0.527 1.00 2.10 H new ATOM 1326 N ASN A 91 13.745 4.836 3.260 1.00 0.32 N ATOM 1327 CA ASN A 91 14.588 4.718 4.445 1.00 0.36 C ATOM 1328 C ASN A 91 14.667 3.270 4.916 1.00 0.36 C ATOM 1329 O ASN A 91 15.520 2.919 5.732 1.00 0.42 O ATOM 1330 CB ASN A 91 14.052 5.604 5.571 1.00 0.38 C ATOM 1331 CG ASN A 91 14.189 7.082 5.262 1.00 0.44 C ATOM 1332 OD1 ASN A 91 15.098 7.496 4.543 1.00 1.11 O ATOM 1333 ND2 ASN A 91 13.281 7.886 5.805 1.00 1.14 N ATOM 0 H ASN A 91 12.779 5.099 3.454 1.00 0.32 H new ATOM 0 HA ASN A 91 15.592 5.050 4.178 1.00 0.36 H new ATOM 0 HB2 ASN A 91 13.002 5.368 5.746 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.587 5.378 6.493 1.00 0.38 H new ATOM 0 HD21 ASN A 91 13.320 8.890 5.632 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.545 7.499 6.395 1.00 1.14 H new ATOM 1340 N ALA A 92 13.769 2.435 4.399 1.00 0.32 N ATOM 1341 CA ALA A 92 13.734 1.022 4.760 1.00 0.34 C ATOM 1342 C ALA A 92 15.098 0.361 4.567 1.00 0.46 C ATOM 1343 O ALA A 92 15.858 0.202 5.522 1.00 0.55 O ATOM 1344 CB ALA A 92 12.675 0.297 3.942 1.00 0.32 C ATOM 0 H ALA A 92 13.054 2.714 3.727 1.00 0.32 H new ATOM 0 HA ALA A 92 13.478 0.953 5.817 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.658 -0.757 4.220 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.698 0.739 4.138 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.909 0.388 2.881 1.00 0.32 H new ATOM 1350 N GLY A 93 15.405 -0.021 3.331 1.00 0.53 N ATOM 1351 CA GLY A 93 16.676 -0.667 3.050 1.00 0.68 C ATOM 1352 C GLY A 93 16.809 -2.003 3.754 1.00 0.66 C ATOM 1353 O GLY A 93 17.906 -2.551 3.867 1.00 0.76 O ATOM 0 H GLY A 93 14.799 0.104 2.520 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.777 -0.814 1.975 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.490 -0.012 3.360 1.00 0.68 H new ATOM 1357 N ASN A 94 15.684 -2.522 4.235 1.00 0.54 N ATOM 1358 CA ASN A 94 15.660 -3.799 4.938 1.00 0.54 C ATOM 1359 C ASN A 94 14.343 -4.533 4.664 1.00 0.43 C ATOM 1360 O ASN A 94 13.413 -3.947 4.108 1.00 0.39 O ATOM 1361 CB ASN A 94 15.818 -3.560 6.442 1.00 0.59 C ATOM 1362 CG ASN A 94 14.654 -2.777 7.015 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.562 -3.473 7.307 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 14.730 -1.560 7.184 1.00 2.52 N flip ATOM 0 H ASN A 94 14.772 -2.074 4.150 1.00 0.54 H new ATOM 0 HA ASN A 94 16.485 -4.415 4.580 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.899 -4.518 6.955 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.746 -3.019 6.628 1.00 0.59 H new ATOM 0 HD21 ASN A 94 15.589 -1.065 6.946 1.00 2.52 H new ATOM 0 HD22 ASN A 94 13.934 -1.047 7.562 1.00 2.52 H new ATOM 1371 N PRO A 95 14.245 -5.830 5.027 1.00 0.41 N ATOM 1372 CA PRO A 95 13.013 -6.602 4.832 1.00 0.35 C ATOM 1373 C PRO A 95 11.855 -6.009 5.627 1.00 0.32 C ATOM 1374 O PRO A 95 11.720 -6.260 6.826 1.00 0.45 O ATOM 1375 CB PRO A 95 13.364 -8.000 5.357 1.00 0.44 C ATOM 1376 CG PRO A 95 14.854 -8.052 5.365 1.00 0.64 C ATOM 1377 CD PRO A 95 15.315 -6.646 5.627 1.00 0.51 C ATOM 0 HA PRO A 95 12.690 -6.606 3.791 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.959 -8.158 6.357 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.946 -8.777 4.717 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.217 -8.732 6.136 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.237 -8.417 4.412 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.423 -6.449 6.694 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.282 -6.446 5.166 1.00 0.51 H new ATOM 1385 N VAL A 96 11.020 -5.222 4.955 1.00 0.28 N ATOM 1386 CA VAL A 96 9.889 -4.576 5.609 1.00 0.33 C ATOM 1387 C VAL A 96 8.565 -5.255 5.270 1.00 0.28 C ATOM 1388 O VAL A 96 8.420 -5.877 4.218 1.00 0.30 O ATOM 1389 CB VAL A 96 9.801 -3.087 5.222 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.997 -2.322 5.764 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.702 -2.931 3.711 1.00 0.38 C ATOM 0 H VAL A 96 11.106 -5.017 3.959 1.00 0.28 H new ATOM 0 HA VAL A 96 10.062 -4.667 6.681 1.00 0.33 H new ATOM 0 HB VAL A 96 8.898 -2.669 5.668 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.917 -1.273 5.480 1.00 0.64 H new ATOM 0 HG12 VAL A 96 11.019 -2.403 6.851 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.914 -2.740 5.350 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.641 -1.873 3.458 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.584 -3.366 3.242 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.810 -3.443 3.350 1.00 0.38 H new ATOM 1401 N ARG A 97 7.606 -5.123 6.180 1.00 0.24 N ATOM 1402 CA ARG A 97 6.283 -5.698 6.005 1.00 0.22 C ATOM 1403 C ARG A 97 5.349 -4.676 5.374 1.00 0.18 C ATOM 1404 O ARG A 97 5.404 -3.487 5.698 1.00 0.18 O ATOM 1405 CB ARG A 97 5.721 -6.153 7.354 1.00 0.27 C ATOM 1406 CG ARG A 97 4.258 -6.564 7.301 1.00 0.69 C ATOM 1407 CD ARG A 97 3.741 -6.959 8.675 1.00 0.71 C ATOM 1408 NE ARG A 97 4.428 -8.138 9.193 1.00 1.21 N ATOM 1409 CZ ARG A 97 4.376 -8.528 10.463 1.00 1.38 C ATOM 1410 NH1 ARG A 97 3.668 -7.835 11.346 1.00 0.88 N ATOM 1411 NH2 ARG A 97 5.032 -9.614 10.853 1.00 2.37 N ATOM 0 H ARG A 97 7.726 -4.615 7.056 1.00 0.24 H new ATOM 0 HA ARG A 97 6.362 -6.563 5.346 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.312 -6.993 7.719 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.836 -5.345 8.076 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.661 -5.740 6.909 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.138 -7.400 6.612 1.00 0.69 H new ATOM 0 HD2 ARG A 97 3.874 -6.127 9.367 1.00 0.71 H new ATOM 0 HD3 ARG A 97 2.671 -7.158 8.618 1.00 0.71 H new ATOM 0 HE ARG A 97 4.981 -8.696 8.542 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.161 -7.000 11.051 1.00 0.88 H new ATOM 0 HH12 ARG A 97 3.630 -8.137 12.319 1.00 0.88 H new ATOM 0 HH21 ARG A 97 5.577 -10.151 10.178 1.00 2.37 H new ATOM 0 HH22 ARG A 97 4.991 -9.912 11.828 1.00 2.37 H new ATOM 1425 N LEU A 98 4.493 -5.143 4.476 1.00 0.19 N ATOM 1426 CA LEU A 98 3.552 -4.269 3.796 1.00 0.18 C ATOM 1427 C LEU A 98 2.115 -4.658 4.125 1.00 0.18 C ATOM 1428 O LEU A 98 1.592 -5.643 3.602 1.00 0.30 O ATOM 1429 CB LEU A 98 3.774 -4.333 2.287 1.00 0.23 C ATOM 1430 CG LEU A 98 5.205 -4.048 1.824 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.347 -4.331 0.337 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.591 -2.608 2.128 1.00 0.37 C ATOM 0 H LEU A 98 4.432 -6.124 4.202 1.00 0.19 H new ATOM 0 HA LEU A 98 3.722 -3.249 4.142 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.487 -5.324 1.936 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.105 -3.618 1.807 1.00 0.23 H new ATOM 0 HG LEU A 98 5.880 -4.707 2.370 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.370 -4.124 0.023 1.00 0.30 H new ATOM 0 HD12 LEU A 98 5.113 -5.377 0.142 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.660 -3.695 -0.222 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.612 -2.426 1.791 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.912 -1.932 1.609 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.527 -2.433 3.202 1.00 0.37 H new ATOM 1444 N LEU A 99 1.482 -3.880 4.996 1.00 0.18 N ATOM 1445 CA LEU A 99 0.103 -4.137 5.386 1.00 0.19 C ATOM 1446 C LEU A 99 -0.846 -3.229 4.609 1.00 0.19 C ATOM 1447 O LEU A 99 -1.022 -2.060 4.953 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.073 -3.925 6.892 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.485 -4.178 7.426 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.867 -5.641 7.258 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.582 -3.766 8.887 1.00 0.36 C ATOM 0 H LEU A 99 1.903 -3.066 5.445 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.137 -5.174 5.151 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.620 -4.581 7.418 1.00 0.22 H new ATOM 0 HB3 LEU A 99 0.211 -2.901 7.134 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.184 -3.573 6.849 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.874 -5.801 7.643 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.837 -5.906 6.201 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.164 -6.266 7.809 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.592 -3.952 9.251 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.871 -4.345 9.476 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.352 -2.705 8.982 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.453 -3.776 3.561 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.374 -3.014 2.726 1.00 0.23 C ATOM 1465 C LEU A 100 -3.693 -3.759 2.542 1.00 0.24 C ATOM 1466 O LEU A 100 -3.791 -4.949 2.843 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.736 -2.723 1.364 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.778 -3.801 0.843 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.537 -5.065 0.469 1.00 0.27 C ATOM 1470 CD2 LEU A 100 0.011 -3.283 -0.351 1.00 0.31 C ATOM 0 H LEU A 100 -1.323 -4.745 3.270 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.585 -2.070 3.229 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.531 -2.583 0.632 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.194 -1.780 1.430 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.078 -4.047 1.642 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.836 -5.815 0.102 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.055 -5.451 1.347 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.264 -4.836 -0.310 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.685 -4.062 -0.707 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.677 -3.006 -1.150 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.591 -2.409 -0.053 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.706 -3.052 2.053 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.016 -3.650 1.833 1.00 0.29 C ATOM 1484 C ILE A 101 -6.367 -3.694 0.349 1.00 0.32 C ATOM 1485 O ILE A 101 -6.251 -2.692 -0.364 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.122 -2.896 2.603 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.490 -3.533 2.337 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.130 -1.423 2.221 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.600 -2.972 3.201 1.00 0.45 C ATOM 0 H ILE A 101 -4.644 -2.065 1.802 1.00 0.25 H new ATOM 0 HA ILE A 101 -5.961 -4.670 2.212 1.00 0.29 H new ATOM 0 HB ILE A 101 -6.912 -2.970 3.670 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.750 -3.390 1.288 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.419 -4.608 2.504 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -7.916 -0.908 2.774 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.165 -0.979 2.464 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.315 -1.326 1.151 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.538 -3.470 2.957 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.363 -3.139 4.252 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.699 -1.902 3.017 1.00 0.45 H new ATOM 1501 N ARG A 102 -6.789 -4.872 -0.104 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.168 -5.082 -1.496 1.00 0.46 C ATOM 1503 C ARG A 102 -8.676 -5.261 -1.621 1.00 0.60 C ATOM 1504 O ARG A 102 -9.317 -5.817 -0.728 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.457 -6.316 -2.056 1.00 0.70 C ATOM 1506 CG ARG A 102 -4.962 -6.128 -2.251 1.00 1.27 C ATOM 1507 CD ARG A 102 -4.663 -5.336 -3.511 1.00 1.35 C ATOM 1508 NE ARG A 102 -5.220 -5.975 -4.701 1.00 1.49 N ATOM 1509 CZ ARG A 102 -5.480 -5.326 -5.832 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -5.241 -4.025 -5.924 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -5.982 -5.980 -6.871 1.00 2.20 N ATOM 0 H ARG A 102 -6.877 -5.703 0.481 1.00 0.39 H new ATOM 0 HA ARG A 102 -6.869 -4.203 -2.067 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -6.623 -7.156 -1.382 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -6.908 -6.581 -3.012 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -4.543 -5.612 -1.387 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -4.476 -7.102 -2.308 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -5.072 -4.331 -3.414 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -3.584 -5.231 -3.626 1.00 1.35 H new ATOM 0 HE ARG A 102 -5.421 -6.974 -4.662 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -4.857 -3.519 -5.126 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -5.441 -3.530 -6.793 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -6.168 -6.980 -6.802 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -6.182 -5.482 -7.739 1.00 2.20 H new ATOM 1525 N ARG A 103 -9.240 -4.789 -2.727 1.00 0.73 N ATOM 1526 CA ARG A 103 -10.675 -4.906 -2.957 1.00 1.00 C ATOM 1527 C ARG A 103 -10.976 -6.048 -3.921 1.00 1.16 C ATOM 1528 O ARG A 103 -10.459 -6.087 -5.037 1.00 1.23 O ATOM 1529 CB ARG A 103 -11.239 -3.592 -3.500 1.00 1.28 C ATOM 1530 CG ARG A 103 -12.743 -3.621 -3.720 1.00 2.01 C ATOM 1531 CD ARG A 103 -13.262 -2.282 -4.220 1.00 2.24 C ATOM 1532 NE ARG A 103 -12.650 -1.896 -5.488 1.00 2.73 N ATOM 1533 CZ ARG A 103 -13.218 -1.065 -6.356 1.00 3.09 C ATOM 1534 NH1 ARG A 103 -14.411 -0.544 -6.099 1.00 2.90 N ATOM 1535 NH2 ARG A 103 -12.595 -0.757 -7.486 1.00 3.93 N ATOM 0 H ARG A 103 -8.728 -4.323 -3.476 1.00 0.73 H new ATOM 0 HA ARG A 103 -11.156 -5.125 -2.003 1.00 1.00 H new ATOM 0 HB2 ARG A 103 -10.997 -2.788 -2.805 1.00 1.28 H new ATOM 0 HB3 ARG A 103 -10.746 -3.357 -4.444 1.00 1.28 H new ATOM 0 HG2 ARG A 103 -12.991 -4.400 -4.441 1.00 2.01 H new ATOM 0 HG3 ARG A 103 -13.243 -3.880 -2.787 1.00 2.01 H new ATOM 0 HD2 ARG A 103 -14.344 -2.335 -4.341 1.00 2.24 H new ATOM 0 HD3 ARG A 103 -13.062 -1.514 -3.473 1.00 2.24 H new ATOM 0 HE ARG A 103 -11.736 -2.285 -5.721 1.00 2.73 H new ATOM 0 HH11 ARG A 103 -14.895 -0.781 -5.233 1.00 2.90 H new ATOM 0 HH12 ARG A 103 -14.844 0.093 -6.767 1.00 2.90 H new ATOM 0 HH21 ARG A 103 -11.679 -1.158 -7.689 1.00 3.93 H new ATOM 0 HH22 ARG A 103 -13.032 -0.119 -8.152 1.00 3.93 H new ATOM 1549 N LEU A 104 -11.817 -6.979 -3.478 1.00 1.32 N ATOM 1550 CA LEU A 104 -12.189 -8.129 -4.294 1.00 1.57 C ATOM 1551 C LEU A 104 -13.493 -7.862 -5.047 1.00 1.89 C ATOM 1552 O LEU A 104 -14.423 -7.275 -4.494 1.00 2.00 O ATOM 1553 CB LEU A 104 -12.341 -9.368 -3.408 1.00 1.68 C ATOM 1554 CG LEU A 104 -11.154 -9.654 -2.486 1.00 1.43 C ATOM 1555 CD1 LEU A 104 -11.546 -10.651 -1.407 1.00 1.46 C ATOM 1556 CD2 LEU A 104 -9.967 -10.170 -3.284 1.00 1.55 C ATOM 0 H LEU A 104 -12.254 -6.958 -2.557 1.00 1.32 H new ATOM 0 HA LEU A 104 -11.400 -8.303 -5.025 1.00 1.57 H new ATOM 0 HB2 LEU A 104 -13.236 -9.252 -2.797 1.00 1.68 H new ATOM 0 HB3 LEU A 104 -12.502 -10.236 -4.048 1.00 1.68 H new ATOM 0 HG LEU A 104 -10.862 -8.721 -2.004 1.00 1.43 H new ATOM 0 HD11 LEU A 104 -10.690 -10.843 -0.760 1.00 1.46 H new ATOM 0 HD12 LEU A 104 -12.364 -10.242 -0.814 1.00 1.46 H new ATOM 0 HD13 LEU A 104 -11.865 -11.584 -1.872 1.00 1.46 H new ATOM 0 HD21 LEU A 104 -9.133 -10.367 -2.610 1.00 1.55 H new ATOM 0 HD22 LEU A 104 -10.245 -11.091 -3.796 1.00 1.55 H new ATOM 0 HD23 LEU A 104 -9.670 -9.422 -4.019 1.00 1.55 H new ATOM 1568 N PRO A 105 -13.584 -8.291 -6.323 1.00 2.13 N ATOM 1569 CA PRO A 105 -14.783 -8.090 -7.137 1.00 2.48 C ATOM 1570 C PRO A 105 -15.853 -9.142 -6.865 1.00 2.69 C ATOM 1571 O PRO A 105 -15.588 -10.155 -6.220 1.00 2.98 O ATOM 1572 CB PRO A 105 -14.247 -8.226 -8.559 1.00 2.64 C ATOM 1573 CG PRO A 105 -13.133 -9.208 -8.441 1.00 2.51 C ATOM 1574 CD PRO A 105 -12.526 -9.001 -7.075 1.00 2.16 C ATOM 0 HA PRO A 105 -15.271 -7.137 -6.932 1.00 2.48 H new ATOM 0 HB2 PRO A 105 -15.019 -8.580 -9.243 1.00 2.64 H new ATOM 0 HB3 PRO A 105 -13.895 -7.269 -8.944 1.00 2.64 H new ATOM 0 HG2 PRO A 105 -13.501 -10.228 -8.552 1.00 2.51 H new ATOM 0 HG3 PRO A 105 -12.391 -9.050 -9.224 1.00 2.51 H new ATOM 0 HD2 PRO A 105 -12.268 -9.949 -6.604 1.00 2.16 H new ATOM 0 HD3 PRO A 105 -11.610 -8.413 -7.129 1.00 2.16 H new ATOM 1582 N LEU A 106 -17.060 -8.897 -7.366 1.00 2.81 N ATOM 1583 CA LEU A 106 -18.170 -9.827 -7.175 1.00 3.01 C ATOM 1584 C LEU A 106 -18.890 -10.093 -8.493 1.00 3.44 C ATOM 1585 O LEU A 106 -19.169 -9.169 -9.257 1.00 3.67 O ATOM 1586 CB LEU A 106 -19.155 -9.271 -6.145 1.00 2.96 C ATOM 1587 CG LEU A 106 -18.574 -9.031 -4.751 1.00 2.78 C ATOM 1588 CD1 LEU A 106 -19.599 -8.352 -3.856 1.00 2.74 C ATOM 1589 CD2 LEU A 106 -18.108 -10.343 -4.131 1.00 3.01 C ATOM 0 H LEU A 106 -17.295 -8.064 -7.906 1.00 2.81 H new ATOM 0 HA LEU A 106 -17.764 -10.769 -6.808 1.00 3.01 H new ATOM 0 HB2 LEU A 106 -19.556 -8.330 -6.521 1.00 2.96 H new ATOM 0 HB3 LEU A 106 -19.993 -9.962 -6.058 1.00 2.96 H new ATOM 0 HG LEU A 106 -17.711 -8.372 -4.848 1.00 2.78 H new ATOM 0 HD11 LEU A 106 -19.168 -8.189 -2.868 1.00 2.74 H new ATOM 0 HD12 LEU A 106 -19.883 -7.394 -4.290 1.00 2.74 H new ATOM 0 HD13 LEU A 106 -20.481 -8.986 -3.767 1.00 2.74 H new ATOM 0 HD21 LEU A 106 -17.698 -10.151 -3.139 1.00 3.01 H new ATOM 0 HD22 LEU A 106 -18.953 -11.027 -4.048 1.00 3.01 H new ATOM 0 HD23 LEU A 106 -17.340 -10.791 -4.761 1.00 3.01 H new ATOM 1601 N LEU A 107 -19.189 -11.364 -8.751 1.00 3.72 N ATOM 1602 CA LEU A 107 -19.876 -11.755 -9.976 1.00 4.24 C ATOM 1603 C LEU A 107 -21.323 -12.147 -9.692 1.00 4.27 C ATOM 1604 O LEU A 107 -21.610 -12.816 -8.700 1.00 4.13 O ATOM 1605 CB LEU A 107 -19.145 -12.917 -10.650 1.00 4.67 C ATOM 1606 CG LEU A 107 -17.738 -12.593 -11.159 1.00 4.91 C ATOM 1607 CD1 LEU A 107 -17.084 -13.836 -11.737 1.00 5.59 C ATOM 1608 CD2 LEU A 107 -17.789 -11.487 -12.204 1.00 4.58 C ATOM 0 H LEU A 107 -18.966 -12.139 -8.127 1.00 3.72 H new ATOM 0 HA LEU A 107 -19.877 -10.897 -10.648 1.00 4.24 H new ATOM 0 HB2 LEU A 107 -19.077 -13.743 -9.942 1.00 4.67 H new ATOM 0 HB3 LEU A 107 -19.746 -13.266 -11.489 1.00 4.67 H new ATOM 0 HG LEU A 107 -17.140 -12.245 -10.317 1.00 4.91 H new ATOM 0 HD11 LEU A 107 -16.084 -13.588 -12.094 1.00 5.59 H new ATOM 0 HD12 LEU A 107 -17.014 -14.603 -10.965 1.00 5.59 H new ATOM 0 HD13 LEU A 107 -17.684 -14.210 -12.567 1.00 5.59 H new ATOM 0 HD21 LEU A 107 -16.780 -11.270 -12.554 1.00 4.58 H new ATOM 0 HD22 LEU A 107 -18.403 -11.809 -13.045 1.00 4.58 H new ATOM 0 HD23 LEU A 107 -18.220 -10.589 -11.762 1.00 4.58 H new ATOM 1620 N GLU A 108 -22.227 -11.725 -10.570 1.00 4.57 N ATOM 1621 CA GLU A 108 -23.644 -12.031 -10.416 1.00 4.71 C ATOM 1622 C GLU A 108 -24.081 -13.106 -11.405 1.00 5.10 C ATOM 1623 O GLU A 108 -24.049 -14.298 -11.035 1.00 5.66 O ATOM 1624 CB GLU A 108 -24.483 -10.767 -10.612 1.00 5.08 C ATOM 1625 CG GLU A 108 -24.168 -9.666 -9.612 1.00 5.36 C ATOM 1626 CD GLU A 108 -25.042 -8.442 -9.797 1.00 5.66 C ATOM 1627 OE1 GLU A 108 -24.717 -7.608 -10.668 1.00 5.89 O ATOM 1628 OE2 GLU A 108 -26.051 -8.316 -9.072 1.00 6.00 O ATOM 1629 OXT GLU A 108 -24.453 -12.748 -12.544 1.00 5.19 O ATOM 0 H GLU A 108 -22.003 -11.170 -11.396 1.00 4.57 H new ATOM 0 HA GLU A 108 -23.801 -12.410 -9.406 1.00 4.71 H new ATOM 0 HB2 GLU A 108 -24.322 -10.387 -11.621 1.00 5.08 H new ATOM 0 HB3 GLU A 108 -25.539 -11.026 -10.534 1.00 5.08 H new ATOM 0 HG2 GLU A 108 -24.298 -10.051 -8.601 1.00 5.36 H new ATOM 0 HG3 GLU A 108 -23.121 -9.379 -9.712 1.00 5.36 H new TER 1636 GLU A 108