USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 THR OG1 : rot 80:sc= 0.335 USER MOD Set 1.2: A 83 CYS SG : rot -25:sc= 0.197! USER MOD Set 2.1: A 17 SER OG : rot -139:sc= -1.35! USER MOD Set 2.2: A 20 GLN :FLIP amide:sc= -2.8! C(o=-5.3!,f=-4.2!) USER MOD Set 3.1: A 6 THR OG1 : rot -51:sc= -2.22! USER MOD Set 3.2: A 29 SER OG : rot 117:sc= -1.57! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 26 CYS SG : rot 141:sc= -2! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.32) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 48 ASN : amide:sc= -2.34! C(o=-2.3!,f=-2.6!) USER MOD Single : A 50 MET CE :methyl -150:sc= -0.189 (180deg=-1.36) USER MOD Single : A 51 ASN : amide:sc= -4.58! C(o=-4.6!,f=-12!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.295 X(o=-0.29,f=0) USER MOD Single : A 59 THR OG1 : rot 98:sc= 0.756 USER MOD Single : A 61 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.044) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 75:sc= 0.84 USER MOD Single : A 79 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-0.77) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.145 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.543 -17.189 16.800 1.00 0.00 N ATOM 2 CA MET A 1 53.896 -15.741 16.776 1.00 0.00 C ATOM 3 C MET A 1 55.051 -15.477 17.741 1.00 0.00 C ATOM 4 O MET A 1 55.002 -15.864 18.910 1.00 0.00 O ATOM 5 CB MET A 1 52.672 -14.914 17.182 1.00 0.00 C ATOM 6 CG MET A 1 52.994 -13.428 17.031 1.00 0.00 C ATOM 7 SD MET A 1 51.508 -12.449 17.379 1.00 0.00 S ATOM 8 CE MET A 1 51.056 -12.068 15.667 1.00 0.00 C ATOM 0 H1 MET A 1 52.757 -17.366 16.142 1.00 0.00 H new ATOM 0 H2 MET A 1 54.368 -17.752 16.512 1.00 0.00 H new ATOM 0 H3 MET A 1 53.257 -17.461 17.762 1.00 0.00 H new ATOM 0 HA MET A 1 54.204 -15.456 15.770 1.00 0.00 H new ATOM 0 HB2 MET A 1 51.818 -15.178 16.559 1.00 0.00 H new ATOM 0 HB3 MET A 1 52.395 -15.135 18.213 1.00 0.00 H new ATOM 0 HG2 MET A 1 53.796 -13.147 17.714 1.00 0.00 H new ATOM 0 HG3 MET A 1 53.349 -13.223 16.021 1.00 0.00 H new ATOM 0 HE1 MET A 1 50.151 -11.461 15.656 1.00 0.00 H new ATOM 0 HE2 MET A 1 51.867 -11.518 15.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 50.878 -12.995 15.123 1.00 0.00 H new ATOM 20 N ALA A 2 56.094 -14.812 17.242 1.00 0.00 N ATOM 21 CA ALA A 2 57.261 -14.502 18.066 1.00 0.00 C ATOM 22 C ALA A 2 58.054 -13.342 17.444 1.00 0.00 C ATOM 23 O ALA A 2 57.980 -13.118 16.236 1.00 0.00 O ATOM 24 CB ALA A 2 58.145 -15.753 18.180 1.00 0.00 C ATOM 0 H ALA A 2 56.154 -14.480 16.279 1.00 0.00 H new ATOM 0 HA ALA A 2 56.935 -14.200 19.061 1.00 0.00 H new ATOM 0 HB1 ALA A 2 59.017 -15.528 18.794 1.00 0.00 H new ATOM 0 HB2 ALA A 2 57.576 -16.560 18.641 1.00 0.00 H new ATOM 0 HB3 ALA A 2 58.470 -16.060 17.186 1.00 0.00 H new ATOM 30 N PRO A 3 58.803 -12.599 18.234 1.00 0.00 N ATOM 31 CA PRO A 3 59.600 -11.453 17.708 1.00 0.00 C ATOM 32 C PRO A 3 60.537 -11.888 16.579 1.00 0.00 C ATOM 33 O PRO A 3 61.099 -12.983 16.619 1.00 0.00 O ATOM 34 CB PRO A 3 60.420 -10.935 18.915 1.00 0.00 C ATOM 35 CG PRO A 3 60.061 -11.788 20.107 1.00 0.00 C ATOM 36 CD PRO A 3 58.949 -12.767 19.691 1.00 0.00 C ATOM 0 HA PRO A 3 58.951 -10.686 17.287 1.00 0.00 H new ATOM 0 HB2 PRO A 3 61.488 -10.996 18.707 1.00 0.00 H new ATOM 0 HB3 PRO A 3 60.193 -9.887 19.111 1.00 0.00 H new ATOM 0 HG2 PRO A 3 60.936 -12.336 20.458 1.00 0.00 H new ATOM 0 HG3 PRO A 3 59.724 -11.162 20.933 1.00 0.00 H new ATOM 0 HD2 PRO A 3 59.215 -13.794 19.943 1.00 0.00 H new ATOM 0 HD3 PRO A 3 58.016 -12.543 20.208 1.00 0.00 H new ATOM 44 N GLU A 4 60.706 -11.015 15.590 1.00 0.00 N ATOM 45 CA GLU A 4 61.583 -11.307 14.463 1.00 0.00 C ATOM 46 C GLU A 4 61.673 -10.104 13.530 1.00 0.00 C ATOM 47 O GLU A 4 60.675 -9.438 13.259 1.00 0.00 O ATOM 48 CB GLU A 4 61.054 -12.514 13.679 1.00 0.00 C ATOM 49 CG GLU A 4 62.038 -12.880 12.564 1.00 0.00 C ATOM 50 CD GLU A 4 61.556 -14.136 11.846 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.725 -14.834 12.407 1.00 0.00 O ATOM 52 OE2 GLU A 4 62.019 -14.381 10.745 1.00 0.00 O1- ATOM 0 H GLU A 4 60.249 -10.104 15.547 1.00 0.00 H new ATOM 0 HA GLU A 4 62.575 -11.533 14.854 1.00 0.00 H new ATOM 0 HB2 GLU A 4 60.917 -13.363 14.349 1.00 0.00 H new ATOM 0 HB3 GLU A 4 60.077 -12.283 13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 4 62.124 -12.055 11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 4 63.031 -13.047 12.982 1.00 0.00 H new ATOM 59 N VAL A 5 62.878 -9.835 13.044 1.00 0.00 N ATOM 60 CA VAL A 5 63.096 -8.715 12.140 1.00 0.00 C ATOM 61 C VAL A 5 62.157 -8.806 10.947 1.00 0.00 C ATOM 62 O VAL A 5 62.067 -9.851 10.303 1.00 0.00 O ATOM 63 CB VAL A 5 64.551 -8.735 11.642 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.762 -9.901 10.659 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.863 -7.410 10.944 1.00 0.00 C ATOM 0 H VAL A 5 63.716 -10.375 13.260 1.00 0.00 H new ATOM 0 HA VAL A 5 62.899 -7.787 12.677 1.00 0.00 H new ATOM 0 HB VAL A 5 65.219 -8.869 12.493 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.796 -9.904 10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 5 64.544 -10.844 11.161 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.095 -9.782 9.805 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.894 -7.420 10.589 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.189 -7.277 10.098 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.729 -6.588 11.647 1.00 0.00 H new ATOM 75 N THR A 6 61.464 -7.707 10.643 1.00 0.00 N ATOM 76 CA THR A 6 60.541 -7.704 9.498 1.00 0.00 C ATOM 77 C THR A 6 61.206 -7.011 8.322 1.00 0.00 C ATOM 78 O THR A 6 61.664 -5.876 8.443 1.00 0.00 O ATOM 79 CB THR A 6 59.234 -6.984 9.837 1.00 0.00 C ATOM 80 OG1 THR A 6 59.464 -5.587 9.851 1.00 0.00 O ATOM 81 CG2 THR A 6 58.712 -7.445 11.205 1.00 0.00 C ATOM 0 H THR A 6 61.518 -6.827 11.156 1.00 0.00 H new ATOM 0 HA THR A 6 60.305 -8.738 9.246 1.00 0.00 H new ATOM 0 HB THR A 6 58.484 -7.223 9.083 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.241 -5.389 10.414 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.782 -6.925 11.434 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.531 -8.520 11.182 1.00 0.00 H new ATOM 0 HG23 THR A 6 59.452 -7.218 11.972 1.00 0.00 H new ATOM 89 N ILE A 7 61.278 -7.694 7.185 1.00 0.00 N ATOM 90 CA ILE A 7 61.921 -7.119 6.006 1.00 0.00 C ATOM 91 C ILE A 7 60.884 -6.585 5.026 1.00 0.00 C ATOM 92 O ILE A 7 60.162 -7.349 4.385 1.00 0.00 O ATOM 93 CB ILE A 7 62.765 -8.188 5.315 1.00 0.00 C ATOM 94 CG1 ILE A 7 63.643 -8.905 6.350 1.00 0.00 C ATOM 95 CG2 ILE A 7 63.654 -7.540 4.255 1.00 0.00 C ATOM 96 CD1 ILE A 7 64.435 -7.885 7.175 1.00 0.00 C ATOM 0 H ILE A 7 60.905 -8.634 7.053 1.00 0.00 H new ATOM 0 HA ILE A 7 62.554 -6.292 6.327 1.00 0.00 H new ATOM 0 HB ILE A 7 62.103 -8.911 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 7 63.020 -9.510 7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 7 64.329 -9.586 5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 7 64.254 -8.307 3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 7 63.031 -7.039 3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 7 64.312 -6.811 4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 7 65.053 -8.408 7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 7 65.073 -7.299 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.744 -7.222 7.694 1.00 0.00 H new ATOM 108 N LEU A 8 60.846 -5.263 4.895 1.00 0.00 N ATOM 109 CA LEU A 8 59.925 -4.598 3.969 1.00 0.00 C ATOM 110 C LEU A 8 60.721 -3.793 2.951 1.00 0.00 C ATOM 111 O LEU A 8 61.276 -2.745 3.271 1.00 0.00 O ATOM 112 CB LEU A 8 58.978 -3.663 4.731 1.00 0.00 C ATOM 113 CG LEU A 8 57.989 -4.473 5.587 1.00 0.00 C ATOM 114 CD1 LEU A 8 57.189 -3.519 6.486 1.00 0.00 C ATOM 115 CD2 LEU A 8 57.016 -5.255 4.683 1.00 0.00 C ATOM 0 H LEU A 8 61.444 -4.625 5.420 1.00 0.00 H new ATOM 0 HA LEU A 8 59.333 -5.358 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 8 59.555 -2.993 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.430 -3.038 4.026 1.00 0.00 H new ATOM 0 HG LEU A 8 58.550 -5.178 6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.488 -4.093 7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.872 -2.975 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.638 -2.812 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 8 56.322 -5.824 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.458 -4.557 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.579 -5.938 4.048 1.00 0.00 H new ATOM 127 N GLU A 9 60.781 -4.302 1.725 1.00 0.00 N ATOM 128 CA GLU A 9 61.524 -3.639 0.652 1.00 0.00 C ATOM 129 C GLU A 9 60.627 -3.387 -0.559 1.00 0.00 C ATOM 130 O GLU A 9 60.561 -4.220 -1.462 1.00 0.00 O ATOM 131 CB GLU A 9 62.700 -4.516 0.218 1.00 0.00 C ATOM 132 CG GLU A 9 63.590 -4.842 1.425 1.00 0.00 C ATOM 133 CD GLU A 9 64.516 -3.669 1.730 1.00 0.00 C ATOM 134 OE1 GLU A 9 65.356 -3.812 2.605 1.00 0.00 O ATOM 135 OE2 GLU A 9 64.375 -2.643 1.084 1.00 0.00 O1- ATOM 0 H GLU A 9 60.325 -5.171 1.447 1.00 0.00 H new ATOM 0 HA GLU A 9 61.885 -2.684 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 9 62.330 -5.438 -0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.284 -4.003 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.970 -5.061 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 9 64.179 -5.736 1.221 1.00 0.00 H new ATOM 142 N PRO A 10 59.957 -2.265 -0.620 1.00 0.00 N ATOM 143 CA PRO A 10 59.087 -1.939 -1.780 1.00 0.00 C ATOM 144 C PRO A 10 59.933 -1.615 -3.018 1.00 0.00 C ATOM 145 O PRO A 10 59.405 -1.377 -4.105 1.00 0.00 O ATOM 146 CB PRO A 10 58.246 -0.723 -1.320 1.00 0.00 C ATOM 147 CG PRO A 10 58.676 -0.396 0.094 1.00 0.00 C ATOM 148 CD PRO A 10 59.948 -1.203 0.397 1.00 0.00 C ATOM 0 HA PRO A 10 58.449 -2.774 -2.071 1.00 0.00 H new ATOM 0 HB2 PRO A 10 58.409 0.130 -1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.182 -0.955 -1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.868 0.672 0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.886 -0.648 0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.840 -0.580 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.925 -1.618 1.405 1.00 0.00 H new ATOM 156 N LEU A 11 61.250 -1.609 -2.824 1.00 0.00 N ATOM 157 CA LEU A 11 62.191 -1.313 -3.904 1.00 0.00 C ATOM 158 C LEU A 11 62.208 -2.436 -4.937 1.00 0.00 C ATOM 159 O LEU A 11 62.135 -3.615 -4.594 1.00 0.00 O ATOM 160 CB LEU A 11 63.603 -1.149 -3.332 1.00 0.00 C ATOM 161 CG LEU A 11 63.687 0.122 -2.470 1.00 0.00 C ATOM 162 CD1 LEU A 11 64.964 0.066 -1.628 1.00 0.00 C ATOM 163 CD2 LEU A 11 63.716 1.386 -3.354 1.00 0.00 C ATOM 0 H LEU A 11 61.692 -1.806 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 11 61.870 -0.390 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 11 63.863 -2.021 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 11 64.327 -1.094 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 11 62.808 0.170 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.034 0.963 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 11 64.938 -0.814 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.831 0.009 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 11 63.776 2.271 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 11 64.585 1.351 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 11 62.808 1.430 -3.955 1.00 0.00 H new ATOM 175 N GLN A 12 62.313 -2.056 -6.208 1.00 0.00 N ATOM 176 CA GLN A 12 62.351 -3.025 -7.307 1.00 0.00 C ATOM 177 C GLN A 12 63.598 -2.809 -8.155 1.00 0.00 C ATOM 178 O GLN A 12 64.310 -3.757 -8.492 1.00 0.00 O ATOM 179 CB GLN A 12 61.113 -2.860 -8.183 1.00 0.00 C ATOM 180 CG GLN A 12 59.877 -3.276 -7.390 1.00 0.00 C ATOM 181 CD GLN A 12 58.619 -3.044 -8.219 1.00 0.00 C ATOM 182 OE1 GLN A 12 58.706 -2.644 -9.380 1.00 0.00 O ATOM 183 NE2 GLN A 12 57.449 -3.273 -7.691 1.00 0.00 N ATOM 0 H GLN A 12 62.374 -1.082 -6.506 1.00 0.00 H new ATOM 0 HA GLN A 12 62.372 -4.030 -6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 12 61.019 -1.824 -8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.205 -3.470 -9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 12 59.950 -4.328 -7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 12 59.821 -2.705 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 12 57.380 -3.604 -6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 12 56.603 -3.121 -8.240 1.00 0.00 H new ATOM 192 N ASP A 13 63.847 -1.548 -8.493 1.00 0.00 N ATOM 193 CA ASP A 13 65.002 -1.177 -9.306 1.00 0.00 C ATOM 194 C ASP A 13 65.070 0.340 -9.461 1.00 0.00 C ATOM 195 O ASP A 13 64.040 1.014 -9.508 1.00 0.00 O ATOM 196 CB ASP A 13 64.915 -1.835 -10.684 1.00 0.00 C ATOM 197 CG ASP A 13 63.584 -1.493 -11.348 1.00 0.00 C ATOM 198 OD1 ASP A 13 63.285 -2.086 -12.373 1.00 0.00 O ATOM 199 OD2 ASP A 13 62.880 -0.648 -10.820 1.00 0.00 O1- ATOM 0 H ASP A 13 63.261 -0.761 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 13 65.905 -1.525 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 13 65.740 -1.495 -11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 13 65.014 -2.916 -10.586 1.00 0.00 H new ATOM 204 N VAL A 14 66.288 0.872 -9.529 1.00 0.00 N ATOM 205 CA VAL A 14 66.490 2.316 -9.666 1.00 0.00 C ATOM 206 C VAL A 14 67.365 2.609 -10.883 1.00 0.00 C ATOM 207 O VAL A 14 68.432 2.020 -11.045 1.00 0.00 O ATOM 208 CB VAL A 14 67.164 2.844 -8.394 1.00 0.00 C ATOM 209 CG1 VAL A 14 67.584 4.303 -8.584 1.00 0.00 C ATOM 210 CG2 VAL A 14 66.189 2.742 -7.217 1.00 0.00 C ATOM 0 H VAL A 14 67.150 0.328 -9.492 1.00 0.00 H new ATOM 0 HA VAL A 14 65.529 2.810 -9.805 1.00 0.00 H new ATOM 0 HB VAL A 14 68.051 2.244 -8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 14 68.061 4.666 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 14 68.286 4.374 -9.415 1.00 0.00 H new ATOM 0 HG13 VAL A 14 66.704 4.910 -8.799 1.00 0.00 H new ATOM 0 HG21 VAL A 14 66.669 3.118 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 14 65.300 3.335 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 14 65.904 1.700 -7.070 1.00 0.00 H new ATOM 220 N GLN A 15 66.904 3.520 -11.743 1.00 0.00 N ATOM 221 CA GLN A 15 67.657 3.878 -12.950 1.00 0.00 C ATOM 222 C GLN A 15 67.638 5.388 -13.180 1.00 0.00 C ATOM 223 O GLN A 15 66.595 6.028 -13.056 1.00 0.00 O ATOM 224 CB GLN A 15 67.049 3.176 -14.166 1.00 0.00 C ATOM 225 CG GLN A 15 67.235 1.662 -14.033 1.00 0.00 C ATOM 226 CD GLN A 15 66.558 0.951 -15.201 1.00 0.00 C ATOM 227 OE1 GLN A 15 65.333 0.983 -15.322 1.00 0.00 O ATOM 228 NE2 GLN A 15 67.284 0.311 -16.078 1.00 0.00 N ATOM 0 H GLN A 15 66.022 4.020 -11.629 1.00 0.00 H new ATOM 0 HA GLN A 15 68.690 3.558 -12.813 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.989 3.417 -14.245 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.525 3.532 -15.080 1.00 0.00 H new ATOM 0 HG2 GLN A 15 68.297 1.418 -14.013 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.811 1.316 -13.090 1.00 0.00 H new ATOM 0 HE21 GLN A 15 68.299 0.284 -15.978 1.00 0.00 H new ATOM 0 HE22 GLN A 15 66.836 -0.162 -16.863 1.00 0.00 H new ATOM 237 N LEU A 16 68.796 5.955 -13.522 1.00 0.00 N ATOM 238 CA LEU A 16 68.881 7.393 -13.771 1.00 0.00 C ATOM 239 C LEU A 16 70.129 7.735 -14.580 1.00 0.00 C ATOM 240 O LEU A 16 71.074 6.950 -14.639 1.00 0.00 O ATOM 241 CB LEU A 16 68.903 8.160 -12.443 1.00 0.00 C ATOM 242 CG LEU A 16 70.048 7.637 -11.525 1.00 0.00 C ATOM 243 CD1 LEU A 16 70.792 8.816 -10.881 1.00 0.00 C ATOM 244 CD2 LEU A 16 69.463 6.755 -10.410 1.00 0.00 C ATOM 0 H LEU A 16 69.675 5.449 -13.631 1.00 0.00 H new ATOM 0 HA LEU A 16 68.003 7.687 -14.345 1.00 0.00 H new ATOM 0 HB2 LEU A 16 69.041 9.224 -12.634 1.00 0.00 H new ATOM 0 HB3 LEU A 16 67.944 8.048 -11.937 1.00 0.00 H new ATOM 0 HG LEU A 16 70.740 7.056 -12.134 1.00 0.00 H new ATOM 0 HD11 LEU A 16 71.590 8.437 -10.242 1.00 0.00 H new ATOM 0 HD12 LEU A 16 71.220 9.446 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 16 70.095 9.403 -10.282 1.00 0.00 H new ATOM 0 HD21 LEU A 16 70.269 6.393 -9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 16 68.763 7.340 -9.813 1.00 0.00 H new ATOM 0 HD23 LEU A 16 68.942 5.906 -10.853 1.00 0.00 H new ATOM 256 N SER A 17 70.123 8.912 -15.207 1.00 0.00 N ATOM 257 CA SER A 17 71.260 9.343 -16.018 1.00 0.00 C ATOM 258 C SER A 17 72.429 9.775 -15.135 1.00 0.00 C ATOM 259 O SER A 17 72.243 10.147 -13.975 1.00 0.00 O ATOM 260 CB SER A 17 70.840 10.505 -16.923 1.00 0.00 C ATOM 261 OG SER A 17 70.895 11.721 -16.188 1.00 0.00 O ATOM 0 H SER A 17 69.351 9.578 -15.169 1.00 0.00 H new ATOM 0 HA SER A 17 71.584 8.501 -16.630 1.00 0.00 H new ATOM 0 HB2 SER A 17 71.498 10.561 -17.790 1.00 0.00 H new ATOM 0 HB3 SER A 17 69.830 10.340 -17.300 1.00 0.00 H new ATOM 0 HG SER A 17 70.122 12.278 -16.419 1.00 0.00 H new ATOM 267 N GLU A 18 73.638 9.723 -15.692 1.00 0.00 N ATOM 268 CA GLU A 18 74.830 10.110 -14.947 1.00 0.00 C ATOM 269 C GLU A 18 74.815 11.610 -14.671 1.00 0.00 C ATOM 270 O GLU A 18 74.447 12.405 -15.536 1.00 0.00 O ATOM 271 CB GLU A 18 76.087 9.743 -15.740 1.00 0.00 C ATOM 272 CG GLU A 18 77.326 9.994 -14.878 1.00 0.00 C ATOM 273 CD GLU A 18 78.579 9.532 -15.614 1.00 0.00 C ATOM 274 OE1 GLU A 18 79.661 9.922 -15.206 1.00 0.00 O ATOM 275 OE2 GLU A 18 78.440 8.784 -16.570 1.00 0.00 O1- ATOM 0 H GLU A 18 73.815 9.419 -16.649 1.00 0.00 H new ATOM 0 HA GLU A 18 74.837 9.575 -13.998 1.00 0.00 H new ATOM 0 HB2 GLU A 18 76.047 8.696 -16.042 1.00 0.00 H new ATOM 0 HB3 GLU A 18 76.140 10.336 -16.653 1.00 0.00 H new ATOM 0 HG2 GLU A 18 77.405 11.055 -14.641 1.00 0.00 H new ATOM 0 HG3 GLU A 18 77.234 9.462 -13.931 1.00 0.00 H new ATOM 282 N GLY A 19 75.210 11.989 -13.458 1.00 0.00 N ATOM 283 CA GLY A 19 75.234 13.397 -13.064 1.00 0.00 C ATOM 284 C GLY A 19 73.953 13.777 -12.326 1.00 0.00 C ATOM 285 O GLY A 19 73.809 14.907 -11.858 1.00 0.00 O ATOM 0 H GLY A 19 75.518 11.343 -12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.096 13.585 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.349 14.024 -13.948 1.00 0.00 H new ATOM 289 N GLN A 20 73.022 12.827 -12.224 1.00 0.00 N ATOM 290 CA GLN A 20 71.749 13.068 -11.536 1.00 0.00 C ATOM 291 C GLN A 20 71.748 12.424 -10.153 1.00 0.00 C ATOM 292 O GLN A 20 72.423 11.422 -9.923 1.00 0.00 O ATOM 293 CB GLN A 20 70.591 12.506 -12.363 1.00 0.00 C ATOM 294 CG GLN A 20 70.397 13.361 -13.617 1.00 0.00 C ATOM 295 CD GLN A 20 69.233 12.821 -14.444 1.00 0.00 C ATOM 296 OE1 GLN A 20 68.937 13.382 -15.587 1.00 0.00 O flip ATOM 297 NE2 GLN A 20 68.570 11.868 -14.035 1.00 0.00 N flip ATOM 0 H GLN A 20 73.123 11.887 -12.607 1.00 0.00 H new ATOM 0 HA GLN A 20 71.625 14.145 -11.420 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.798 11.473 -12.643 1.00 0.00 H new ATOM 0 HB3 GLN A 20 69.677 12.499 -11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 20 70.204 14.396 -13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 20 71.309 13.358 -14.213 1.00 0.00 H new ATOM 0 HE21 GLN A 20 68.802 11.431 -13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 20 67.789 11.515 -14.588 1.00 0.00 H new ATOM 306 N ASP A 21 70.982 13.014 -9.237 1.00 0.00 N ATOM 307 CA ASP A 21 70.890 12.502 -7.872 1.00 0.00 C ATOM 308 C ASP A 21 70.009 11.254 -7.814 1.00 0.00 C ATOM 309 O ASP A 21 69.140 11.057 -8.665 1.00 0.00 O ATOM 310 CB ASP A 21 70.308 13.577 -6.952 1.00 0.00 C ATOM 311 CG ASP A 21 70.196 13.040 -5.529 1.00 0.00 C ATOM 312 OD1 ASP A 21 69.080 12.820 -5.088 1.00 0.00 O ATOM 313 OD2 ASP A 21 71.226 12.861 -4.901 1.00 0.00 O1- ATOM 0 H ASP A 21 70.418 13.845 -9.415 1.00 0.00 H new ATOM 0 HA ASP A 21 71.894 12.236 -7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 21 70.943 14.463 -6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 21 69.326 13.883 -7.312 1.00 0.00 H new ATOM 318 N ALA A 22 70.237 10.414 -6.800 1.00 0.00 N ATOM 319 CA ALA A 22 69.460 9.180 -6.629 1.00 0.00 C ATOM 320 C ALA A 22 69.048 9.005 -5.170 1.00 0.00 C ATOM 321 O ALA A 22 69.776 9.392 -4.258 1.00 0.00 O ATOM 322 CB ALA A 22 70.294 7.978 -7.070 1.00 0.00 C ATOM 0 H ALA A 22 70.951 10.564 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 22 68.562 9.248 -7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 22 69.713 7.065 -6.941 1.00 0.00 H new ATOM 0 HB2 ALA A 22 70.566 8.090 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.199 7.921 -6.464 1.00 0.00 H new ATOM 328 N SER A 23 67.866 8.423 -4.956 1.00 0.00 N ATOM 329 CA SER A 23 67.350 8.204 -3.601 1.00 0.00 C ATOM 330 C SER A 23 66.812 6.788 -3.441 1.00 0.00 C ATOM 331 O SER A 23 66.299 6.187 -4.387 1.00 0.00 O ATOM 332 CB SER A 23 66.233 9.206 -3.309 1.00 0.00 C ATOM 333 OG SER A 23 66.794 10.502 -3.133 1.00 0.00 O ATOM 0 H SER A 23 67.249 8.096 -5.700 1.00 0.00 H new ATOM 0 HA SER A 23 68.170 8.344 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 23 65.516 9.217 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 23 65.688 8.909 -2.413 1.00 0.00 H new ATOM 0 HG SER A 23 66.079 11.146 -2.947 1.00 0.00 H new ATOM 339 N PHE A 24 66.927 6.272 -2.221 1.00 0.00 N ATOM 340 CA PHE A 24 66.457 4.929 -1.895 1.00 0.00 C ATOM 341 C PHE A 24 65.553 4.987 -0.670 1.00 0.00 C ATOM 342 O PHE A 24 65.752 5.807 0.228 1.00 0.00 O ATOM 343 CB PHE A 24 67.663 4.018 -1.601 1.00 0.00 C ATOM 344 CG PHE A 24 68.182 3.387 -2.879 1.00 0.00 C ATOM 345 CD1 PHE A 24 68.783 4.182 -3.860 1.00 0.00 C ATOM 346 CD2 PHE A 24 68.059 2.004 -3.079 1.00 0.00 C ATOM 347 CE1 PHE A 24 69.261 3.599 -5.038 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.538 1.421 -4.258 1.00 0.00 C ATOM 349 CZ PHE A 24 69.138 2.217 -5.238 1.00 0.00 C ATOM 0 H PHE A 24 67.346 6.769 -1.435 1.00 0.00 H new ATOM 0 HA PHE A 24 65.897 4.528 -2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.456 4.597 -1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.373 3.239 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 24 68.878 5.247 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 24 67.594 1.389 -2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 24 69.725 4.214 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 24 68.444 0.356 -4.411 1.00 0.00 H new ATOM 0 HZ PHE A 24 69.506 1.768 -6.148 1.00 0.00 H new ATOM 359 N GLN A 25 64.570 4.097 -0.644 1.00 0.00 N ATOM 360 CA GLN A 25 63.628 4.019 0.466 1.00 0.00 C ATOM 361 C GLN A 25 63.407 2.560 0.842 1.00 0.00 C ATOM 362 O GLN A 25 62.899 1.777 0.041 1.00 0.00 O ATOM 363 CB GLN A 25 62.299 4.652 0.056 1.00 0.00 C ATOM 364 CG GLN A 25 62.474 6.166 -0.077 1.00 0.00 C ATOM 365 CD GLN A 25 61.194 6.793 -0.618 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.204 6.094 -0.838 1.00 0.00 O ATOM 367 NE2 GLN A 25 61.154 8.076 -0.856 1.00 0.00 N ATOM 0 H GLN A 25 64.403 3.415 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 25 64.032 4.556 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 25 61.960 4.230 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 25 61.533 4.428 0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 25 62.719 6.599 0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 25 63.307 6.387 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 25 61.974 8.654 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 25 60.303 8.500 -1.224 1.00 0.00 H new ATOM 376 N CYS A 26 63.804 2.201 2.062 1.00 0.00 N ATOM 377 CA CYS A 26 63.661 0.826 2.546 1.00 0.00 C ATOM 378 C CYS A 26 63.029 0.814 3.930 1.00 0.00 C ATOM 379 O CYS A 26 63.502 1.482 4.846 1.00 0.00 O ATOM 380 CB CYS A 26 65.039 0.154 2.598 1.00 0.00 C ATOM 381 SG CYS A 26 64.978 -1.326 3.647 1.00 0.00 S ATOM 0 H CYS A 26 64.227 2.841 2.734 1.00 0.00 H new ATOM 0 HA CYS A 26 63.014 0.277 1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.357 -0.118 1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 26 65.778 0.854 2.987 1.00 0.00 H new ATOM 0 HG CYS A 26 65.708 -2.263 3.119 1.00 0.00 H new ATOM 387 N ARG A 27 61.970 0.027 4.079 1.00 0.00 N ATOM 388 CA ARG A 27 61.286 -0.093 5.364 1.00 0.00 C ATOM 389 C ARG A 27 61.799 -1.333 6.095 1.00 0.00 C ATOM 390 O ARG A 27 61.805 -2.430 5.540 1.00 0.00 O ATOM 391 CB ARG A 27 59.773 -0.193 5.135 1.00 0.00 C ATOM 392 CG ARG A 27 59.229 1.153 4.645 1.00 0.00 C ATOM 393 CD ARG A 27 57.715 1.042 4.432 1.00 0.00 C ATOM 394 NE ARG A 27 57.168 2.312 3.971 1.00 0.00 N ATOM 395 CZ ARG A 27 55.881 2.429 3.663 1.00 0.00 C ATOM 396 NH1 ARG A 27 55.355 3.610 3.482 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 55.138 1.361 3.555 1.00 0.00 N ATOM 0 H ARG A 27 61.566 -0.536 3.330 1.00 0.00 H new ATOM 0 HA ARG A 27 61.488 0.787 5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.558 -0.970 4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.275 -0.481 6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.449 1.934 5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.719 1.439 3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.501 0.261 3.702 1.00 0.00 H new ATOM 0 HD3 ARG A 27 57.232 0.748 5.364 1.00 0.00 H new ATOM 0 HE ARG A 27 57.782 3.122 3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 27 55.932 4.445 3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 27 54.367 3.697 3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.546 0.439 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 27 54.150 1.449 3.319 1.00 0.00 H new ATOM 411 N LEU A 28 62.264 -1.154 7.333 1.00 0.00 N ATOM 412 CA LEU A 28 62.807 -2.281 8.102 1.00 0.00 C ATOM 413 C LEU A 28 62.503 -2.160 9.596 1.00 0.00 C ATOM 414 O LEU A 28 63.049 -1.291 10.275 1.00 0.00 O ATOM 415 CB LEU A 28 64.324 -2.338 7.866 1.00 0.00 C ATOM 416 CG LEU A 28 64.996 -3.338 8.814 1.00 0.00 C ATOM 417 CD1 LEU A 28 64.295 -4.698 8.740 1.00 0.00 C ATOM 418 CD2 LEU A 28 66.463 -3.499 8.401 1.00 0.00 C ATOM 0 H LEU A 28 62.277 -0.258 7.820 1.00 0.00 H new ATOM 0 HA LEU A 28 62.331 -3.201 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.523 -2.622 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.755 -1.348 8.013 1.00 0.00 H new ATOM 0 HG LEU A 28 64.929 -2.966 9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 28 64.784 -5.397 9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 28 63.250 -4.585 9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 28 64.352 -5.082 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 28 66.953 -4.208 9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 28 66.514 -3.869 7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 28 66.967 -2.534 8.464 1.00 0.00 H new ATOM 430 N SER A 29 61.657 -3.055 10.115 1.00 0.00 N ATOM 431 CA SER A 29 61.340 -3.036 11.542 1.00 0.00 C ATOM 432 C SER A 29 62.477 -3.691 12.319 1.00 0.00 C ATOM 433 O SER A 29 63.233 -4.499 11.766 1.00 0.00 O ATOM 434 CB SER A 29 60.022 -3.758 11.831 1.00 0.00 C ATOM 435 OG SER A 29 60.270 -5.148 11.989 1.00 0.00 O ATOM 0 H SER A 29 61.189 -3.786 9.580 1.00 0.00 H new ATOM 0 HA SER A 29 61.225 -1.999 11.857 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.564 -3.354 12.734 1.00 0.00 H new ATOM 0 HB3 SER A 29 59.318 -3.593 11.015 1.00 0.00 H new ATOM 0 HG SER A 29 60.035 -5.421 12.900 1.00 0.00 H new ATOM 441 N ARG A 30 62.601 -3.315 13.590 1.00 0.00 N ATOM 442 CA ARG A 30 63.679 -3.818 14.442 1.00 0.00 C ATOM 443 C ARG A 30 63.748 -5.341 14.489 1.00 0.00 C ATOM 444 O ARG A 30 62.772 -6.037 14.214 1.00 0.00 O ATOM 445 CB ARG A 30 63.491 -3.286 15.866 1.00 0.00 C ATOM 446 CG ARG A 30 62.201 -3.855 16.477 1.00 0.00 C ATOM 447 CD ARG A 30 62.031 -3.337 17.910 1.00 0.00 C ATOM 448 NE ARG A 30 61.852 -1.889 17.921 1.00 0.00 N ATOM 449 CZ ARG A 30 61.720 -1.225 19.067 1.00 0.00 C ATOM 450 NH1 ARG A 30 61.924 -1.837 20.200 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 61.373 0.035 19.058 1.00 0.00 N ATOM 0 H ARG A 30 61.968 -2.663 14.054 1.00 0.00 H new ATOM 0 HA ARG A 30 64.614 -3.465 14.008 1.00 0.00 H new ATOM 0 HB2 ARG A 30 64.347 -3.563 16.482 1.00 0.00 H new ATOM 0 HB3 ARG A 30 63.447 -2.197 15.853 1.00 0.00 H new ATOM 0 HG2 ARG A 30 61.342 -3.565 15.872 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.238 -4.944 16.477 1.00 0.00 H new ATOM 0 HD2 ARG A 30 61.170 -3.818 18.375 1.00 0.00 H new ATOM 0 HD3 ARG A 30 62.905 -3.604 18.504 1.00 0.00 H new ATOM 0 HE ARG A 30 61.828 -1.379 17.038 1.00 0.00 H new ATOM 0 HH11 ARG A 30 62.184 -2.823 20.207 1.00 0.00 H new ATOM 0 HH12 ARG A 30 61.823 -1.330 21.079 1.00 0.00 H new ATOM 0 HH21 ARG A 30 61.203 0.511 18.172 1.00 0.00 H new ATOM 0 HH22 ARG A 30 61.272 0.543 19.937 1.00 0.00 H new ATOM 465 N ALA A 31 64.939 -5.835 14.848 1.00 0.00 N ATOM 466 CA ALA A 31 65.205 -7.272 14.945 1.00 0.00 C ATOM 467 C ALA A 31 65.182 -7.745 16.395 1.00 0.00 C ATOM 468 O ALA A 31 64.850 -6.987 17.306 1.00 0.00 O ATOM 469 CB ALA A 31 66.573 -7.589 14.338 1.00 0.00 C ATOM 0 H ALA A 31 65.742 -5.250 15.078 1.00 0.00 H new ATOM 0 HA ALA A 31 64.421 -7.794 14.397 1.00 0.00 H new ATOM 0 HB1 ALA A 31 66.765 -8.659 14.413 1.00 0.00 H new ATOM 0 HB2 ALA A 31 66.584 -7.291 13.290 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.346 -7.043 14.878 1.00 0.00 H new ATOM 475 N SER A 32 65.538 -9.010 16.594 1.00 0.00 N ATOM 476 CA SER A 32 65.561 -9.599 17.927 1.00 0.00 C ATOM 477 C SER A 32 66.545 -10.755 17.946 1.00 0.00 C ATOM 478 O SER A 32 67.365 -10.883 18.854 1.00 0.00 O ATOM 479 CB SER A 32 64.161 -10.087 18.307 1.00 0.00 C ATOM 480 OG SER A 32 64.072 -10.222 19.719 1.00 0.00 O ATOM 0 H SER A 32 65.815 -9.647 15.847 1.00 0.00 H new ATOM 0 HA SER A 32 65.874 -8.848 18.653 1.00 0.00 H new ATOM 0 HB2 SER A 32 63.410 -9.382 17.951 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.955 -11.043 17.826 1.00 0.00 H new ATOM 0 HG SER A 32 63.175 -10.533 19.962 1.00 0.00 H new ATOM 486 N GLY A 33 66.465 -11.578 16.906 1.00 0.00 N ATOM 487 CA GLY A 33 67.361 -12.715 16.762 1.00 0.00 C ATOM 488 C GLY A 33 68.632 -12.252 16.065 1.00 0.00 C ATOM 489 O GLY A 33 69.685 -12.130 16.691 1.00 0.00 O ATOM 0 H GLY A 33 65.787 -11.477 16.150 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.598 -13.135 17.740 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.880 -13.504 16.184 1.00 0.00 H new ATOM 493 N GLN A 34 68.520 -11.971 14.762 1.00 0.00 N ATOM 494 CA GLN A 34 69.662 -11.488 13.979 1.00 0.00 C ATOM 495 C GLN A 34 69.343 -10.139 13.338 1.00 0.00 C ATOM 496 O GLN A 34 68.212 -9.892 12.916 1.00 0.00 O ATOM 497 CB GLN A 34 70.028 -12.498 12.888 1.00 0.00 C ATOM 498 CG GLN A 34 70.428 -13.832 13.526 1.00 0.00 C ATOM 499 CD GLN A 34 71.663 -13.653 14.406 1.00 0.00 C ATOM 500 OE1 GLN A 34 72.656 -13.068 13.973 1.00 0.00 O ATOM 501 NE2 GLN A 34 71.659 -14.125 15.625 1.00 0.00 N ATOM 0 H GLN A 34 67.655 -12.069 14.230 1.00 0.00 H new ATOM 0 HA GLN A 34 70.508 -11.368 14.655 1.00 0.00 H new ATOM 0 HB2 GLN A 34 69.181 -12.645 12.217 1.00 0.00 H new ATOM 0 HB3 GLN A 34 70.850 -12.113 12.284 1.00 0.00 H new ATOM 0 HG2 GLN A 34 69.602 -14.219 14.122 1.00 0.00 H new ATOM 0 HG3 GLN A 34 70.632 -14.568 12.748 1.00 0.00 H new ATOM 0 HE21 GLN A 34 70.835 -14.609 15.982 1.00 0.00 H new ATOM 0 HE22 GLN A 34 72.480 -14.009 16.220 1.00 0.00 H new ATOM 510 N GLU A 35 70.351 -9.268 13.273 1.00 0.00 N ATOM 511 CA GLU A 35 70.189 -7.936 12.688 1.00 0.00 C ATOM 512 C GLU A 35 70.531 -7.934 11.200 1.00 0.00 C ATOM 513 O GLU A 35 71.602 -8.392 10.801 1.00 0.00 O ATOM 514 CB GLU A 35 71.120 -6.941 13.394 1.00 0.00 C ATOM 515 CG GLU A 35 70.658 -6.709 14.837 1.00 0.00 C ATOM 516 CD GLU A 35 71.138 -7.838 15.744 1.00 0.00 C ATOM 517 OE1 GLU A 35 71.694 -8.792 15.230 1.00 0.00 O ATOM 518 OE2 GLU A 35 70.922 -7.740 16.940 1.00 0.00 O1- ATOM 0 H GLU A 35 71.291 -9.462 13.619 1.00 0.00 H new ATOM 0 HA GLU A 35 69.146 -7.647 12.815 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.141 -7.322 13.389 1.00 0.00 H new ATOM 0 HB3 GLU A 35 71.130 -5.995 12.852 1.00 0.00 H new ATOM 0 HG2 GLU A 35 71.044 -5.756 15.199 1.00 0.00 H new ATOM 0 HG3 GLU A 35 69.570 -6.646 14.870 1.00 0.00 H new ATOM 525 N ALA A 36 69.630 -7.384 10.388 1.00 0.00 N ATOM 526 CA ALA A 36 69.859 -7.291 8.950 1.00 0.00 C ATOM 527 C ALA A 36 70.931 -6.246 8.669 1.00 0.00 C ATOM 528 O ALA A 36 71.037 -5.247 9.381 1.00 0.00 O ATOM 529 CB ALA A 36 68.563 -6.893 8.242 1.00 0.00 C ATOM 0 H ALA A 36 68.739 -6.998 10.701 1.00 0.00 H new ATOM 0 HA ALA A 36 70.189 -8.261 8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 36 68.741 -6.825 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 36 67.797 -7.644 8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.226 -5.926 8.616 1.00 0.00 H new ATOM 535 N ARG A 37 71.735 -6.487 7.634 1.00 0.00 N ATOM 536 CA ARG A 37 72.816 -5.565 7.270 1.00 0.00 C ATOM 537 C ARG A 37 72.763 -5.230 5.780 1.00 0.00 C ATOM 538 O ARG A 37 72.304 -6.034 4.969 1.00 0.00 O ATOM 539 CB ARG A 37 74.165 -6.217 7.595 1.00 0.00 C ATOM 540 CG ARG A 37 74.267 -6.458 9.104 1.00 0.00 C ATOM 541 CD ARG A 37 75.523 -7.274 9.419 1.00 0.00 C ATOM 542 NE ARG A 37 76.722 -6.532 9.057 1.00 0.00 N ATOM 543 CZ ARG A 37 77.928 -7.077 9.185 1.00 0.00 C ATOM 544 NH1 ARG A 37 78.044 -8.328 9.536 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 78.994 -6.363 8.956 1.00 0.00 N ATOM 0 H ARG A 37 71.661 -7.308 7.034 1.00 0.00 H new ATOM 0 HA ARG A 37 72.697 -4.643 7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.263 -7.160 7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 37 74.981 -5.575 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 37 74.301 -5.505 9.632 1.00 0.00 H new ATOM 0 HG3 ARG A 37 73.382 -6.987 9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 37 75.547 -7.518 10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 37 75.495 -8.218 8.875 1.00 0.00 H new ATOM 0 HE ARG A 37 76.636 -5.580 8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 37 77.210 -8.888 9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 37 78.969 -8.746 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 37 78.903 -5.386 8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 37 79.919 -6.782 9.054 1.00 0.00 H new ATOM 559 N TRP A 38 73.250 -4.043 5.427 1.00 0.00 N ATOM 560 CA TRP A 38 73.272 -3.619 4.029 1.00 0.00 C ATOM 561 C TRP A 38 74.379 -4.372 3.290 1.00 0.00 C ATOM 562 O TRP A 38 75.139 -5.122 3.903 1.00 0.00 O ATOM 563 CB TRP A 38 73.563 -2.112 3.942 1.00 0.00 C ATOM 564 CG TRP A 38 72.328 -1.298 4.184 1.00 0.00 C ATOM 565 CD1 TRP A 38 71.913 -0.851 5.391 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.370 -0.792 3.209 1.00 0.00 C ATOM 567 NE1 TRP A 38 70.758 -0.106 5.216 1.00 0.00 N ATOM 568 CE2 TRP A 38 70.384 -0.045 3.893 1.00 0.00 C ATOM 569 CE3 TRP A 38 71.263 -0.913 1.814 1.00 0.00 C ATOM 570 CZ2 TRP A 38 69.329 0.563 3.216 1.00 0.00 C ATOM 571 CZ3 TRP A 38 70.202 -0.302 1.129 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.236 0.436 1.828 1.00 0.00 C ATOM 0 H TRP A 38 73.632 -3.362 6.084 1.00 0.00 H new ATOM 0 HA TRP A 38 72.303 -3.832 3.579 1.00 0.00 H new ATOM 0 HB2 TRP A 38 74.325 -1.845 4.674 1.00 0.00 H new ATOM 0 HB3 TRP A 38 73.969 -1.875 2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 38 72.401 -1.043 6.335 1.00 0.00 H new ATOM 0 HE1 TRP A 38 70.247 0.343 5.976 1.00 0.00 H new ATOM 0 HE3 TRP A 38 72.001 -1.479 1.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 68.588 1.129 3.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 70.129 -0.401 0.056 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.422 0.905 1.295 1.00 0.00 H new ATOM 583 N ALA A 39 74.486 -4.157 1.982 1.00 0.00 N ATOM 584 CA ALA A 39 75.532 -4.816 1.206 1.00 0.00 C ATOM 585 C ALA A 39 75.726 -4.127 -0.141 1.00 0.00 C ATOM 586 O ALA A 39 74.840 -4.151 -0.991 1.00 0.00 O ATOM 587 CB ALA A 39 75.180 -6.288 0.980 1.00 0.00 C ATOM 0 H ALA A 39 73.874 -3.543 1.445 1.00 0.00 H new ATOM 0 HA ALA A 39 76.461 -4.749 1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 39 75.969 -6.766 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 39 75.082 -6.791 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 39 74.238 -6.357 0.437 1.00 0.00 H new ATOM 593 N LEU A 40 76.901 -3.525 -0.339 1.00 0.00 N ATOM 594 CA LEU A 40 77.215 -2.843 -1.599 1.00 0.00 C ATOM 595 C LEU A 40 78.498 -3.415 -2.193 1.00 0.00 C ATOM 596 O LEU A 40 79.553 -3.384 -1.559 1.00 0.00 O ATOM 597 CB LEU A 40 77.379 -1.336 -1.354 1.00 0.00 C ATOM 598 CG LEU A 40 77.824 -0.622 -2.643 1.00 0.00 C ATOM 599 CD1 LEU A 40 76.838 -0.912 -3.784 1.00 0.00 C ATOM 600 CD2 LEU A 40 77.862 0.885 -2.385 1.00 0.00 C ATOM 0 H LEU A 40 77.649 -3.495 0.354 1.00 0.00 H new ATOM 0 HA LEU A 40 76.396 -3.001 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.436 -0.914 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.114 -1.168 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 40 78.811 -0.984 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 40 77.167 -0.400 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 40 76.800 -1.986 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 40 75.846 -0.557 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.176 1.402 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 40 76.869 1.230 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 40 78.568 1.099 -1.582 1.00 0.00 H new ATOM 612 N GLY A 41 78.401 -3.939 -3.412 1.00 0.00 N ATOM 613 CA GLY A 41 79.565 -4.518 -4.070 1.00 0.00 C ATOM 614 C GLY A 41 79.906 -5.865 -3.447 1.00 0.00 C ATOM 615 O GLY A 41 80.897 -6.502 -3.809 1.00 0.00 O ATOM 0 H GLY A 41 77.540 -3.974 -3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.366 -4.642 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.416 -3.842 -3.981 1.00 0.00 H new ATOM 619 N GLY A 42 79.074 -6.288 -2.499 1.00 0.00 N ATOM 620 CA GLY A 42 79.281 -7.559 -1.807 1.00 0.00 C ATOM 621 C GLY A 42 79.951 -7.322 -0.460 1.00 0.00 C ATOM 622 O GLY A 42 79.925 -8.184 0.420 1.00 0.00 O ATOM 0 H GLY A 42 78.250 -5.770 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.325 -8.062 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 42 79.899 -8.217 -2.418 1.00 0.00 H new ATOM 626 N VAL A 43 80.538 -6.135 -0.305 1.00 0.00 N ATOM 627 CA VAL A 43 81.211 -5.756 0.939 1.00 0.00 C ATOM 628 C VAL A 43 80.355 -4.723 1.683 1.00 0.00 C ATOM 629 O VAL A 43 79.641 -3.949 1.042 1.00 0.00 O ATOM 630 CB VAL A 43 82.582 -5.151 0.619 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.517 -6.242 0.098 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.422 -4.069 -0.452 1.00 0.00 C ATOM 0 H VAL A 43 80.561 -5.416 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 43 81.345 -6.639 1.564 1.00 0.00 H new ATOM 0 HB VAL A 43 83.004 -4.714 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.491 -5.809 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.632 -7.016 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.096 -6.681 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.396 -3.637 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.999 -4.510 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.757 -3.288 -0.084 1.00 0.00 H new ATOM 642 N PRO A 44 80.395 -4.676 2.998 1.00 0.00 N ATOM 643 CA PRO A 44 79.582 -3.681 3.753 1.00 0.00 C ATOM 644 C PRO A 44 79.927 -2.245 3.347 1.00 0.00 C ATOM 645 O PRO A 44 81.078 -1.931 3.042 1.00 0.00 O ATOM 646 CB PRO A 44 79.905 -3.929 5.246 1.00 0.00 C ATOM 647 CG PRO A 44 80.869 -5.090 5.314 1.00 0.00 C ATOM 648 CD PRO A 44 81.189 -5.549 3.879 1.00 0.00 C ATOM 0 HA PRO A 44 78.519 -3.800 3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 44 80.344 -3.039 5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 44 78.995 -4.153 5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.783 -4.793 5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 44 80.434 -5.910 5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.254 -5.456 3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 44 80.925 -6.597 3.734 1.00 0.00 H new ATOM 656 N LEU A 45 78.914 -1.379 3.343 1.00 0.00 N ATOM 657 CA LEU A 45 79.106 0.027 2.975 1.00 0.00 C ATOM 658 C LEU A 45 79.466 0.860 4.200 1.00 0.00 C ATOM 659 O LEU A 45 79.521 0.347 5.319 1.00 0.00 O ATOM 660 CB LEU A 45 77.839 0.582 2.289 1.00 0.00 C ATOM 661 CG LEU A 45 76.775 1.023 3.316 1.00 0.00 C ATOM 662 CD1 LEU A 45 75.503 1.439 2.575 1.00 0.00 C ATOM 663 CD2 LEU A 45 76.441 -0.136 4.258 1.00 0.00 C ATOM 0 H LEU A 45 77.955 -1.623 3.589 1.00 0.00 H new ATOM 0 HA LEU A 45 79.934 0.089 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.109 1.430 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.417 -0.180 1.634 1.00 0.00 H new ATOM 0 HG LEU A 45 77.166 1.859 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 45 74.748 1.752 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 45 75.728 2.267 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 45 75.126 0.595 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.689 0.186 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 45 76.054 -0.975 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.342 -0.446 4.787 1.00 0.00 H new ATOM 675 N GLN A 46 79.701 2.152 3.985 1.00 0.00 N ATOM 676 CA GLN A 46 80.042 3.051 5.085 1.00 0.00 C ATOM 677 C GLN A 46 79.586 4.476 4.788 1.00 0.00 C ATOM 678 O GLN A 46 79.700 4.956 3.660 1.00 0.00 O ATOM 679 CB GLN A 46 81.553 3.033 5.329 1.00 0.00 C ATOM 680 CG GLN A 46 81.884 3.909 6.538 1.00 0.00 C ATOM 681 CD GLN A 46 83.374 3.834 6.843 1.00 0.00 C ATOM 682 OE1 GLN A 46 84.200 3.937 5.937 1.00 0.00 O ATOM 683 NE2 GLN A 46 83.769 3.649 8.072 1.00 0.00 N ATOM 0 H GLN A 46 79.662 2.597 3.068 1.00 0.00 H new ATOM 0 HA GLN A 46 79.526 2.702 5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 46 81.892 2.012 5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.079 3.398 4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 46 81.597 4.941 6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 46 81.310 3.580 7.404 1.00 0.00 H new ATOM 0 HE21 GLN A 46 83.082 3.564 8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 46 84.765 3.589 8.284 1.00 0.00 H new ATOM 692 N ALA A 47 79.077 5.149 5.814 1.00 0.00 N ATOM 693 CA ALA A 47 78.613 6.519 5.663 1.00 0.00 C ATOM 694 C ALA A 47 79.773 7.443 5.310 1.00 0.00 C ATOM 695 O ALA A 47 80.887 7.281 5.810 1.00 0.00 O ATOM 696 CB ALA A 47 77.970 6.989 6.969 1.00 0.00 C ATOM 0 H ALA A 47 78.976 4.768 6.755 1.00 0.00 H new ATOM 0 HA ALA A 47 77.880 6.551 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.623 8.016 6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.125 6.345 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 47 78.704 6.942 7.774 1.00 0.00 H new ATOM 702 N ASN A 48 79.495 8.413 4.449 1.00 0.00 N ATOM 703 CA ASN A 48 80.505 9.373 4.025 1.00 0.00 C ATOM 704 C ASN A 48 79.843 10.516 3.260 1.00 0.00 C ATOM 705 O ASN A 48 78.617 10.593 3.189 1.00 0.00 O ATOM 706 CB ASN A 48 81.549 8.692 3.135 1.00 0.00 C ATOM 707 CG ASN A 48 82.809 9.549 3.052 1.00 0.00 C ATOM 708 OD1 ASN A 48 83.343 9.973 4.078 1.00 0.00 O ATOM 709 ND2 ASN A 48 83.316 9.833 1.885 1.00 0.00 N ATOM 0 H ASN A 48 78.576 8.556 4.030 1.00 0.00 H new ATOM 0 HA ASN A 48 81.003 9.770 4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.795 7.709 3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 48 81.140 8.535 2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 48 84.156 10.407 1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 48 82.872 9.481 1.037 1.00 0.00 H new ATOM 716 N GLU A 49 80.651 11.403 2.694 1.00 0.00 N ATOM 717 CA GLU A 49 80.105 12.532 1.951 1.00 0.00 C ATOM 718 C GLU A 49 79.339 12.045 0.724 1.00 0.00 C ATOM 719 O GLU A 49 78.256 12.544 0.420 1.00 0.00 O ATOM 720 CB GLU A 49 81.235 13.472 1.523 1.00 0.00 C ATOM 721 CG GLU A 49 80.641 14.749 0.926 1.00 0.00 C ATOM 722 CD GLU A 49 81.757 15.728 0.581 1.00 0.00 C ATOM 723 OE1 GLU A 49 81.449 16.874 0.297 1.00 0.00 O ATOM 724 OE2 GLU A 49 82.906 15.320 0.611 1.00 0.00 O1- ATOM 0 H GLU A 49 81.670 11.365 2.733 1.00 0.00 H new ATOM 0 HA GLU A 49 79.415 13.073 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 49 81.862 13.717 2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.874 12.979 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 49 80.066 14.509 0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 49 79.951 15.206 1.635 1.00 0.00 H new ATOM 731 N MET A 50 79.901 11.060 0.028 1.00 0.00 N ATOM 732 CA MET A 50 79.250 10.509 -1.156 1.00 0.00 C ATOM 733 C MET A 50 77.959 9.794 -0.772 1.00 0.00 C ATOM 734 O MET A 50 76.952 9.898 -1.470 1.00 0.00 O ATOM 735 CB MET A 50 80.185 9.525 -1.864 1.00 0.00 C ATOM 736 CG MET A 50 81.437 10.253 -2.366 1.00 0.00 C ATOM 737 SD MET A 50 80.978 11.478 -3.621 1.00 0.00 S ATOM 738 CE MET A 50 80.417 10.314 -4.890 1.00 0.00 C ATOM 0 H MET A 50 80.797 10.631 0.261 1.00 0.00 H new ATOM 0 HA MET A 50 79.014 11.333 -1.830 1.00 0.00 H new ATOM 0 HB2 MET A 50 80.470 8.726 -1.180 1.00 0.00 H new ATOM 0 HB3 MET A 50 79.667 9.058 -2.701 1.00 0.00 H new ATOM 0 HG2 MET A 50 81.941 10.744 -1.533 1.00 0.00 H new ATOM 0 HG3 MET A 50 82.141 9.535 -2.787 1.00 0.00 H new ATOM 0 HE1 MET A 50 80.589 10.742 -5.878 1.00 0.00 H new ATOM 0 HE2 MET A 50 80.971 9.380 -4.798 1.00 0.00 H new ATOM 0 HE3 MET A 50 79.353 10.119 -4.760 1.00 0.00 H new ATOM 748 N ASN A 51 77.996 9.066 0.346 1.00 0.00 N ATOM 749 CA ASN A 51 76.823 8.331 0.828 1.00 0.00 C ATOM 750 C ASN A 51 76.430 8.799 2.228 1.00 0.00 C ATOM 751 O ASN A 51 77.208 8.686 3.173 1.00 0.00 O ATOM 752 CB ASN A 51 77.126 6.832 0.864 1.00 0.00 C ATOM 753 CG ASN A 51 75.895 6.068 1.340 1.00 0.00 C ATOM 754 OD1 ASN A 51 74.769 6.486 1.082 1.00 0.00 O ATOM 755 ND2 ASN A 51 76.046 4.970 2.031 1.00 0.00 N ATOM 0 H ASN A 51 78.824 8.969 0.934 1.00 0.00 H new ATOM 0 HA ASN A 51 75.995 8.523 0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 51 77.419 6.487 -0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 51 77.966 6.637 1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 51 75.228 4.457 2.358 1.00 0.00 H new ATOM 0 HD22 ASN A 51 76.982 4.626 2.243 1.00 0.00 H new ATOM 762 N ASP A 52 75.204 9.311 2.351 1.00 0.00 N ATOM 763 CA ASP A 52 74.682 9.784 3.635 1.00 0.00 C ATOM 764 C ASP A 52 73.529 8.890 4.064 1.00 0.00 C ATOM 765 O ASP A 52 72.688 8.532 3.247 1.00 0.00 O ATOM 766 CB ASP A 52 74.188 11.228 3.506 1.00 0.00 C ATOM 767 CG ASP A 52 75.370 12.168 3.296 1.00 0.00 C ATOM 768 OD1 ASP A 52 75.135 13.328 2.998 1.00 0.00 O ATOM 769 OD2 ASP A 52 76.493 11.715 3.439 1.00 0.00 O1- ATOM 0 H ASP A 52 74.551 9.409 1.573 1.00 0.00 H new ATOM 0 HA ASP A 52 75.477 9.749 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.495 11.310 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.640 11.515 4.403 1.00 0.00 H new ATOM 774 N ILE A 53 73.492 8.521 5.340 1.00 0.00 N ATOM 775 CA ILE A 53 72.428 7.651 5.846 1.00 0.00 C ATOM 776 C ILE A 53 71.654 8.358 6.947 1.00 0.00 C ATOM 777 O ILE A 53 72.243 8.907 7.876 1.00 0.00 O ATOM 778 CB ILE A 53 73.039 6.355 6.371 1.00 0.00 C ATOM 779 CG1 ILE A 53 73.838 5.689 5.247 1.00 0.00 C ATOM 780 CG2 ILE A 53 71.918 5.419 6.807 1.00 0.00 C ATOM 781 CD1 ILE A 53 74.557 4.458 5.792 1.00 0.00 C ATOM 0 H ILE A 53 74.178 8.806 6.039 1.00 0.00 H new ATOM 0 HA ILE A 53 71.736 7.416 5.037 1.00 0.00 H new ATOM 0 HB ILE A 53 73.694 6.568 7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.172 5.403 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 53 74.561 6.393 4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 53 72.346 4.490 7.184 1.00 0.00 H new ATOM 0 HG22 ILE A 53 71.333 5.894 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 53 71.273 5.202 5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.125 3.984 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.235 4.757 6.591 1.00 0.00 H new ATOM 0 HD13 ILE A 53 73.824 3.752 6.183 1.00 0.00 H new ATOM 793 N THR A 54 70.326 8.358 6.825 1.00 0.00 N ATOM 794 CA THR A 54 69.468 9.025 7.807 1.00 0.00 C ATOM 795 C THR A 54 68.316 8.121 8.237 1.00 0.00 C ATOM 796 O THR A 54 67.746 7.387 7.430 1.00 0.00 O ATOM 797 CB THR A 54 68.910 10.312 7.200 1.00 0.00 C ATOM 798 OG1 THR A 54 69.986 11.152 6.808 1.00 0.00 O ATOM 799 CG2 THR A 54 68.048 11.036 8.234 1.00 0.00 C ATOM 0 H THR A 54 69.823 7.907 6.061 1.00 0.00 H new ATOM 0 HA THR A 54 70.067 9.256 8.688 1.00 0.00 H new ATOM 0 HB THR A 54 68.300 10.069 6.330 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.631 11.977 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 54 67.651 11.953 7.799 1.00 0.00 H new ATOM 0 HG22 THR A 54 67.223 10.391 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.654 11.281 9.106 1.00 0.00 H new ATOM 807 N VAL A 55 67.980 8.190 9.525 1.00 0.00 N ATOM 808 CA VAL A 55 66.893 7.390 10.094 1.00 0.00 C ATOM 809 C VAL A 55 65.728 8.306 10.465 1.00 0.00 C ATOM 810 O VAL A 55 65.926 9.346 11.091 1.00 0.00 O ATOM 811 CB VAL A 55 67.400 6.654 11.345 1.00 0.00 C ATOM 812 CG1 VAL A 55 66.225 6.071 12.138 1.00 0.00 C ATOM 813 CG2 VAL A 55 68.333 5.512 10.927 1.00 0.00 C ATOM 0 H VAL A 55 68.448 8.796 10.199 1.00 0.00 H new ATOM 0 HA VAL A 55 66.554 6.658 9.361 1.00 0.00 H new ATOM 0 HB VAL A 55 67.937 7.366 11.972 1.00 0.00 H new ATOM 0 HG11 VAL A 55 66.602 5.554 13.020 1.00 0.00 H new ATOM 0 HG12 VAL A 55 65.559 6.877 12.447 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.677 5.367 11.512 1.00 0.00 H new ATOM 0 HG21 VAL A 55 68.691 4.991 11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 55 67.790 4.813 10.291 1.00 0.00 H new ATOM 0 HG23 VAL A 55 69.182 5.918 10.377 1.00 0.00 H new ATOM 823 N GLU A 56 64.510 7.916 10.077 1.00 0.00 N ATOM 824 CA GLU A 56 63.318 8.718 10.383 1.00 0.00 C ATOM 825 C GLU A 56 62.284 7.878 11.127 1.00 0.00 C ATOM 826 O GLU A 56 62.538 6.730 11.492 1.00 0.00 O ATOM 827 CB GLU A 56 62.698 9.275 9.098 1.00 0.00 C ATOM 828 CG GLU A 56 63.659 10.272 8.441 1.00 0.00 C ATOM 829 CD GLU A 56 63.857 11.497 9.331 1.00 0.00 C ATOM 830 OE1 GLU A 56 64.840 12.191 9.142 1.00 0.00 O ATOM 831 OE2 GLU A 56 63.013 11.727 10.183 1.00 0.00 O1- ATOM 0 H GLU A 56 64.323 7.059 9.556 1.00 0.00 H new ATOM 0 HA GLU A 56 63.625 9.549 11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 56 62.478 8.460 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 56 61.751 9.765 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.620 9.791 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.265 10.580 7.472 1.00 0.00 H new ATOM 838 N GLN A 57 61.118 8.487 11.352 1.00 0.00 N ATOM 839 CA GLN A 57 60.009 7.851 12.070 1.00 0.00 C ATOM 840 C GLN A 57 60.013 6.335 11.922 1.00 0.00 C ATOM 841 O GLN A 57 60.245 5.803 10.838 1.00 0.00 O ATOM 842 CB GLN A 57 58.683 8.396 11.544 1.00 0.00 C ATOM 843 CG GLN A 57 57.533 7.840 12.383 1.00 0.00 C ATOM 844 CD GLN A 57 56.237 8.559 12.022 1.00 0.00 C ATOM 845 OE1 GLN A 57 55.224 7.915 11.742 1.00 0.00 O ATOM 846 NE2 GLN A 57 56.214 9.863 11.994 1.00 0.00 N ATOM 0 H GLN A 57 60.915 9.437 11.041 1.00 0.00 H new ATOM 0 HA GLN A 57 60.133 8.083 13.128 1.00 0.00 H new ATOM 0 HB2 GLN A 57 58.684 9.485 11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 57 58.552 8.117 10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 57 57.427 6.769 12.208 1.00 0.00 H new ATOM 0 HG3 GLN A 57 57.748 7.969 13.444 1.00 0.00 H new ATOM 0 HE21 GLN A 57 57.054 10.393 12.226 1.00 0.00 H new ATOM 0 HE22 GLN A 57 55.356 10.353 11.740 1.00 0.00 H new ATOM 855 N GLY A 58 59.744 5.654 13.030 1.00 0.00 N ATOM 856 CA GLY A 58 59.704 4.202 13.037 1.00 0.00 C ATOM 857 C GLY A 58 61.098 3.625 12.853 1.00 0.00 C ATOM 858 O GLY A 58 61.883 3.554 13.796 1.00 0.00 O ATOM 0 H GLY A 58 59.551 6.087 13.933 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.280 3.850 13.977 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.050 3.847 12.240 1.00 0.00 H new ATOM 862 N THR A 59 61.393 3.222 11.628 1.00 0.00 N ATOM 863 CA THR A 59 62.691 2.649 11.299 1.00 0.00 C ATOM 864 C THR A 59 62.913 2.748 9.802 1.00 0.00 C ATOM 865 O THR A 59 63.223 1.756 9.137 1.00 0.00 O ATOM 866 CB THR A 59 62.752 1.179 11.727 1.00 0.00 C ATOM 867 OG1 THR A 59 61.608 0.503 11.226 1.00 0.00 O ATOM 868 CG2 THR A 59 62.779 1.075 13.252 1.00 0.00 C ATOM 0 H THR A 59 60.748 3.281 10.840 1.00 0.00 H new ATOM 0 HA THR A 59 63.467 3.200 11.830 1.00 0.00 H new ATOM 0 HB THR A 59 63.658 0.724 11.327 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.840 0.039 10.395 1.00 0.00 H new ATOM 0 HG21 THR A 59 62.822 0.026 13.544 1.00 0.00 H new ATOM 0 HG22 THR A 59 63.656 1.595 13.637 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.878 1.529 13.664 1.00 0.00 H new ATOM 876 N LEU A 60 62.732 3.952 9.272 1.00 0.00 N ATOM 877 CA LEU A 60 62.900 4.176 7.844 1.00 0.00 C ATOM 878 C LEU A 60 64.354 4.490 7.522 1.00 0.00 C ATOM 879 O LEU A 60 64.913 5.474 8.004 1.00 0.00 O ATOM 880 CB LEU A 60 62.004 5.338 7.403 1.00 0.00 C ATOM 881 CG LEU A 60 62.112 5.564 5.887 1.00 0.00 C ATOM 882 CD1 LEU A 60 61.700 4.290 5.123 1.00 0.00 C ATOM 883 CD2 LEU A 60 61.191 6.728 5.499 1.00 0.00 C ATOM 0 H LEU A 60 62.471 4.781 9.806 1.00 0.00 H new ATOM 0 HA LEU A 60 62.615 3.272 7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 60 60.969 5.127 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.292 6.246 7.932 1.00 0.00 H new ATOM 0 HG LEU A 60 63.143 5.800 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 60 61.782 4.466 4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 60 62.356 3.467 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.670 4.034 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 60 61.256 6.901 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 60 60.163 6.483 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 60 61.499 7.628 6.031 1.00 0.00 H new ATOM 895 N HIS A 61 64.959 3.640 6.697 1.00 0.00 N ATOM 896 CA HIS A 61 66.353 3.812 6.295 1.00 0.00 C ATOM 897 C HIS A 61 66.413 4.421 4.901 1.00 0.00 C ATOM 898 O HIS A 61 65.819 3.890 3.963 1.00 0.00 O ATOM 899 CB HIS A 61 67.055 2.453 6.290 1.00 0.00 C ATOM 900 CG HIS A 61 67.050 1.883 7.682 1.00 0.00 C ATOM 901 ND1 HIS A 61 67.524 0.610 7.962 1.00 0.00 N ATOM 902 CD2 HIS A 61 66.622 2.397 8.879 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.371 0.404 9.283 1.00 0.00 C ATOM 904 NE2 HIS A 61 66.827 1.462 9.891 1.00 0.00 N ATOM 0 H HIS A 61 64.504 2.822 6.292 1.00 0.00 H new ATOM 0 HA HIS A 61 66.852 4.476 7.000 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.549 1.773 5.605 1.00 0.00 H new ATOM 0 HB3 HIS A 61 68.079 2.562 5.933 1.00 0.00 H new ATOM 0 HD2 HIS A 61 66.191 3.378 9.016 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.654 -0.507 9.790 1.00 0.00 H new ATOM 0 HE2 HIS A 61 66.609 1.563 10.882 1.00 0.00 H new ATOM 912 N LEU A 62 67.119 5.543 4.772 1.00 0.00 N ATOM 913 CA LEU A 62 67.234 6.226 3.482 1.00 0.00 C ATOM 914 C LEU A 62 68.679 6.298 3.027 1.00 0.00 C ATOM 915 O LEU A 62 69.542 6.842 3.723 1.00 0.00 O ATOM 916 CB LEU A 62 66.666 7.640 3.591 1.00 0.00 C ATOM 917 CG LEU A 62 65.212 7.580 4.080 1.00 0.00 C ATOM 918 CD1 LEU A 62 64.666 9.003 4.182 1.00 0.00 C ATOM 919 CD2 LEU A 62 64.350 6.764 3.100 1.00 0.00 C ATOM 0 H LEU A 62 67.617 5.997 5.538 1.00 0.00 H new ATOM 0 HA LEU A 62 66.668 5.655 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 62 67.267 8.231 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 62 66.713 8.136 2.622 1.00 0.00 H new ATOM 0 HG LEU A 62 65.179 7.096 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 62 63.633 8.972 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 62 65.269 9.574 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 62 64.706 9.479 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 62 63.322 6.731 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 62 64.375 7.233 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 62 64.742 5.750 3.028 1.00 0.00 H new ATOM 931 N LEU A 63 68.928 5.773 1.828 1.00 0.00 N ATOM 932 CA LEU A 63 70.254 5.805 1.236 1.00 0.00 C ATOM 933 C LEU A 63 70.280 6.992 0.272 1.00 0.00 C ATOM 934 O LEU A 63 69.663 6.944 -0.791 1.00 0.00 O ATOM 935 CB LEU A 63 70.516 4.455 0.507 1.00 0.00 C ATOM 936 CG LEU A 63 71.726 3.694 1.099 1.00 0.00 C ATOM 937 CD1 LEU A 63 72.991 4.574 1.076 1.00 0.00 C ATOM 938 CD2 LEU A 63 71.420 3.238 2.540 1.00 0.00 C ATOM 0 H LEU A 63 68.221 5.319 1.249 1.00 0.00 H new ATOM 0 HA LEU A 63 71.039 5.927 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 63 69.627 3.829 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 63 70.691 4.644 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 63 71.909 2.814 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 63 73.829 4.018 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 63 73.221 4.854 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.819 5.474 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.281 2.704 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 63 71.210 4.109 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 63 70.553 2.578 2.536 1.00 0.00 H new ATOM 950 N THR A 64 70.955 8.069 0.662 1.00 0.00 N ATOM 951 CA THR A 64 71.001 9.274 -0.166 1.00 0.00 C ATOM 952 C THR A 64 72.350 9.419 -0.857 1.00 0.00 C ATOM 953 O THR A 64 73.346 9.793 -0.238 1.00 0.00 O ATOM 954 CB THR A 64 70.742 10.492 0.725 1.00 0.00 C ATOM 955 OG1 THR A 64 69.504 10.323 1.404 1.00 0.00 O ATOM 956 CG2 THR A 64 70.680 11.758 -0.128 1.00 0.00 C ATOM 0 H THR A 64 71.474 8.135 1.538 1.00 0.00 H new ATOM 0 HA THR A 64 70.237 9.199 -0.940 1.00 0.00 H new ATOM 0 HB THR A 64 71.552 10.586 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.336 11.100 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 64 70.495 12.620 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.627 11.891 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 64 69.873 11.667 -0.855 1.00 0.00 H new ATOM 964 N LEU A 65 72.360 9.134 -2.156 1.00 0.00 N ATOM 965 CA LEU A 65 73.581 9.243 -2.963 1.00 0.00 C ATOM 966 C LEU A 65 73.615 10.592 -3.681 1.00 0.00 C ATOM 967 O LEU A 65 72.634 11.000 -4.301 1.00 0.00 O ATOM 968 CB LEU A 65 73.627 8.112 -3.999 1.00 0.00 C ATOM 969 CG LEU A 65 73.757 6.757 -3.289 1.00 0.00 C ATOM 970 CD1 LEU A 65 73.541 5.631 -4.307 1.00 0.00 C ATOM 971 CD2 LEU A 65 75.151 6.622 -2.635 1.00 0.00 C ATOM 0 H LEU A 65 71.539 8.826 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 65 74.445 9.164 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 65 72.723 8.128 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 65 74.469 8.260 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 65 73.003 6.689 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 65 73.632 4.666 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 65 72.546 5.721 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 65 74.291 5.704 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 65 75.227 5.656 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 65 75.922 6.695 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 65 75.289 7.419 -1.905 1.00 0.00 H new ATOM 983 N HIS A 66 74.752 11.289 -3.584 1.00 0.00 N ATOM 984 CA HIS A 66 74.909 12.604 -4.220 1.00 0.00 C ATOM 985 C HIS A 66 75.932 12.549 -5.351 1.00 0.00 C ATOM 986 O HIS A 66 76.926 11.824 -5.273 1.00 0.00 O ATOM 987 CB HIS A 66 75.361 13.633 -3.186 1.00 0.00 C ATOM 988 CG HIS A 66 74.259 13.874 -2.190 1.00 0.00 C ATOM 989 ND1 HIS A 66 73.067 14.488 -2.543 1.00 0.00 N ATOM 990 CD2 HIS A 66 74.160 13.612 -0.844 1.00 0.00 C ATOM 991 CE1 HIS A 66 72.311 14.578 -1.431 1.00 0.00 C ATOM 992 NE2 HIS A 66 72.930 14.060 -0.368 1.00 0.00 N ATOM 0 H HIS A 66 75.575 10.967 -3.074 1.00 0.00 H new ATOM 0 HA HIS A 66 73.943 12.893 -4.634 1.00 0.00 H new ATOM 0 HB2 HIS A 66 76.255 13.278 -2.674 1.00 0.00 H new ATOM 0 HB3 HIS A 66 75.627 14.567 -3.681 1.00 0.00 H new ATOM 0 HD2 HIS A 66 74.921 13.132 -0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 66 71.324 15.016 -1.403 1.00 0.00 H new ATOM 0 HE2 HIS A 66 72.578 14.004 0.588 1.00 0.00 H new ATOM 1000 N LYS A 67 75.676 13.322 -6.405 1.00 0.00 N ATOM 1001 CA LYS A 67 76.570 13.365 -7.558 1.00 0.00 C ATOM 1002 C LYS A 67 76.873 11.954 -8.051 1.00 0.00 C ATOM 1003 O LYS A 67 78.035 11.552 -8.120 1.00 0.00 O ATOM 1004 CB LYS A 67 77.886 14.072 -7.187 1.00 0.00 C ATOM 1005 CG LYS A 67 78.571 14.603 -8.455 1.00 0.00 C ATOM 1006 CD LYS A 67 79.829 15.384 -8.069 1.00 0.00 C ATOM 1007 CE LYS A 67 80.474 15.959 -9.330 1.00 0.00 C ATOM 1008 NZ LYS A 67 81.681 16.748 -8.955 1.00 0.00 N1+ ATOM 0 H LYS A 67 74.858 13.926 -6.483 1.00 0.00 H new ATOM 0 HA LYS A 67 76.074 13.922 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 67 77.686 14.894 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 67 78.548 13.378 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 67 78.833 13.775 -9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 67 77.887 15.246 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 67 79.574 16.188 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 67 80.532 14.731 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 67 80.750 15.153 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 67 79.762 16.593 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 82.120 17.139 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 81.405 17.525 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 82.362 16.131 -8.468 1.00 0.00 H new ATOM 1022 N VAL A 68 75.829 11.197 -8.388 1.00 0.00 N ATOM 1023 CA VAL A 68 76.026 9.829 -8.861 1.00 0.00 C ATOM 1024 C VAL A 68 77.162 9.785 -9.880 1.00 0.00 C ATOM 1025 O VAL A 68 77.423 10.762 -10.580 1.00 0.00 O ATOM 1026 CB VAL A 68 74.713 9.274 -9.479 1.00 0.00 C ATOM 1027 CG1 VAL A 68 74.672 9.496 -11.000 1.00 0.00 C ATOM 1028 CG2 VAL A 68 74.595 7.769 -9.198 1.00 0.00 C ATOM 0 H VAL A 68 74.856 11.501 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 68 76.296 9.199 -8.013 1.00 0.00 H new ATOM 0 HB VAL A 68 73.882 9.810 -9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 68 73.741 9.096 -11.401 1.00 0.00 H new ATOM 0 HG12 VAL A 68 74.731 10.563 -11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.516 8.986 -11.465 1.00 0.00 H new ATOM 0 HG21 VAL A 68 73.672 7.389 -9.635 1.00 0.00 H new ATOM 0 HG22 VAL A 68 75.446 7.249 -9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 68 74.584 7.600 -8.121 1.00 0.00 H new ATOM 1038 N THR A 69 77.823 8.639 -9.960 1.00 0.00 N ATOM 1039 CA THR A 69 78.924 8.451 -10.899 1.00 0.00 C ATOM 1040 C THR A 69 78.760 7.112 -11.599 1.00 0.00 C ATOM 1041 O THR A 69 78.000 6.257 -11.147 1.00 0.00 O ATOM 1042 CB THR A 69 80.264 8.479 -10.156 1.00 0.00 C ATOM 1043 OG1 THR A 69 80.360 7.341 -9.310 1.00 0.00 O ATOM 1044 CG2 THR A 69 80.361 9.755 -9.316 1.00 0.00 C ATOM 0 H THR A 69 77.617 7.822 -9.385 1.00 0.00 H new ATOM 0 HA THR A 69 78.911 9.257 -11.632 1.00 0.00 H new ATOM 0 HB THR A 69 81.080 8.463 -10.879 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.217 7.357 -8.836 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.315 9.772 -8.789 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.291 10.626 -9.968 1.00 0.00 H new ATOM 0 HG23 THR A 69 79.546 9.777 -8.592 1.00 0.00 H new ATOM 1052 N LEU A 70 79.481 6.929 -12.695 1.00 0.00 N ATOM 1053 CA LEU A 70 79.409 5.676 -13.432 1.00 0.00 C ATOM 1054 C LEU A 70 79.867 4.547 -12.502 1.00 0.00 C ATOM 1055 O LEU A 70 79.361 3.428 -12.557 1.00 0.00 O ATOM 1056 CB LEU A 70 80.299 5.766 -14.687 1.00 0.00 C ATOM 1057 CG LEU A 70 79.811 4.815 -15.802 1.00 0.00 C ATOM 1058 CD1 LEU A 70 79.735 3.368 -15.289 1.00 0.00 C ATOM 1059 CD2 LEU A 70 78.427 5.262 -16.328 1.00 0.00 C ATOM 0 H LEU A 70 80.116 7.623 -13.090 1.00 0.00 H new ATOM 0 HA LEU A 70 78.390 5.475 -13.761 1.00 0.00 H new ATOM 0 HB2 LEU A 70 80.302 6.791 -15.058 1.00 0.00 H new ATOM 0 HB3 LEU A 70 81.327 5.520 -14.423 1.00 0.00 H new ATOM 0 HG LEU A 70 80.530 4.857 -16.620 1.00 0.00 H new ATOM 0 HD11 LEU A 70 79.389 2.715 -16.091 1.00 0.00 H new ATOM 0 HD12 LEU A 70 80.723 3.046 -14.960 1.00 0.00 H new ATOM 0 HD13 LEU A 70 79.039 3.315 -14.452 1.00 0.00 H new ATOM 0 HD21 LEU A 70 78.099 4.581 -17.113 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.706 5.249 -15.511 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.500 6.272 -16.731 1.00 0.00 H new ATOM 1071 N GLU A 71 80.820 4.874 -11.632 1.00 0.00 N ATOM 1072 CA GLU A 71 81.350 3.915 -10.665 1.00 0.00 C ATOM 1073 C GLU A 71 80.265 3.501 -9.667 1.00 0.00 C ATOM 1074 O GLU A 71 80.350 2.440 -9.048 1.00 0.00 O ATOM 1075 CB GLU A 71 82.528 4.549 -9.914 1.00 0.00 C ATOM 1076 CG GLU A 71 83.129 3.549 -8.921 1.00 0.00 C ATOM 1077 CD GLU A 71 84.299 4.193 -8.187 1.00 0.00 C ATOM 1078 OE1 GLU A 71 84.751 5.234 -8.633 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.722 3.641 -7.185 1.00 0.00 O1- ATOM 0 H GLU A 71 81.243 5.801 -11.577 1.00 0.00 H new ATOM 0 HA GLU A 71 81.687 3.026 -11.198 1.00 0.00 H new ATOM 0 HB2 GLU A 71 83.290 4.869 -10.624 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.192 5.440 -9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.370 3.231 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 71 83.465 2.656 -9.448 1.00 0.00 H new ATOM 1086 N ASP A 72 79.245 4.343 -9.521 1.00 0.00 N ATOM 1087 CA ASP A 72 78.152 4.046 -8.598 1.00 0.00 C ATOM 1088 C ASP A 72 77.472 2.749 -9.008 1.00 0.00 C ATOM 1089 O ASP A 72 77.021 1.974 -8.165 1.00 0.00 O ATOM 1090 CB ASP A 72 77.129 5.186 -8.604 1.00 0.00 C ATOM 1091 CG ASP A 72 76.180 5.045 -7.416 1.00 0.00 C ATOM 1092 OD1 ASP A 72 76.622 4.573 -6.382 1.00 0.00 O ATOM 1093 OD2 ASP A 72 75.026 5.411 -7.560 1.00 0.00 O1- ATOM 0 H ASP A 72 79.152 5.226 -10.023 1.00 0.00 H new ATOM 0 HA ASP A 72 78.560 3.941 -7.593 1.00 0.00 H new ATOM 0 HB2 ASP A 72 77.643 6.146 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 72 76.563 5.172 -9.535 1.00 0.00 H new ATOM 1098 N ALA A 73 77.411 2.519 -10.314 1.00 0.00 N ATOM 1099 CA ALA A 73 76.794 1.311 -10.842 1.00 0.00 C ATOM 1100 C ALA A 73 77.244 0.088 -10.049 1.00 0.00 C ATOM 1101 O ALA A 73 78.430 -0.240 -10.014 1.00 0.00 O ATOM 1102 CB ALA A 73 77.185 1.138 -12.308 1.00 0.00 C ATOM 0 H ALA A 73 77.780 3.151 -11.024 1.00 0.00 H new ATOM 0 HA ALA A 73 75.712 1.405 -10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 73 76.723 0.233 -12.703 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.843 2.000 -12.880 1.00 0.00 H new ATOM 0 HB3 ALA A 73 78.269 1.057 -12.388 1.00 0.00 H new ATOM 1108 N GLY A 74 76.292 -0.589 -9.417 1.00 0.00 N ATOM 1109 CA GLY A 74 76.612 -1.774 -8.634 1.00 0.00 C ATOM 1110 C GLY A 74 75.348 -2.501 -8.198 1.00 0.00 C ATOM 1111 O GLY A 74 74.236 -2.087 -8.522 1.00 0.00 O ATOM 0 H GLY A 74 75.303 -0.340 -9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 74 77.236 -2.445 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.192 -1.488 -7.756 1.00 0.00 H new ATOM 1115 N THR A 75 75.526 -3.597 -7.461 1.00 0.00 N ATOM 1116 CA THR A 75 74.395 -4.391 -6.980 1.00 0.00 C ATOM 1117 C THR A 75 74.218 -4.224 -5.474 1.00 0.00 C ATOM 1118 O THR A 75 75.134 -4.492 -4.698 1.00 0.00 O ATOM 1119 CB THR A 75 74.636 -5.867 -7.301 1.00 0.00 C ATOM 1120 OG1 THR A 75 74.655 -6.040 -8.711 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.517 -6.718 -6.697 1.00 0.00 C ATOM 0 H THR A 75 76.440 -3.955 -7.184 1.00 0.00 H new ATOM 0 HA THR A 75 73.490 -4.043 -7.478 1.00 0.00 H new ATOM 0 HB THR A 75 75.591 -6.180 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.811 -6.984 -8.923 1.00 0.00 H new ATOM 0 HG21 THR A 75 73.693 -7.768 -6.929 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.500 -6.583 -5.616 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.559 -6.410 -7.116 1.00 0.00 H new ATOM 1129 N VAL A 76 73.024 -3.786 -5.069 1.00 0.00 N ATOM 1130 CA VAL A 76 72.714 -3.596 -3.651 1.00 0.00 C ATOM 1131 C VAL A 76 71.784 -4.715 -3.183 1.00 0.00 C ATOM 1132 O VAL A 76 70.791 -5.020 -3.844 1.00 0.00 O ATOM 1133 CB VAL A 76 72.039 -2.231 -3.446 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.186 -1.785 -1.990 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.690 -1.196 -4.370 1.00 0.00 C ATOM 0 H VAL A 76 72.258 -3.557 -5.702 1.00 0.00 H new ATOM 0 HA VAL A 76 73.635 -3.625 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 76 70.979 -2.318 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 76 71.704 -0.817 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.715 -2.518 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.244 -1.702 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.212 -0.227 -4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 76 73.751 -1.115 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.570 -1.508 -5.407 1.00 0.00 H new ATOM 1145 N SER A 77 72.119 -5.337 -2.056 1.00 0.00 N ATOM 1146 CA SER A 77 71.316 -6.437 -1.521 1.00 0.00 C ATOM 1147 C SER A 77 71.297 -6.395 0.001 1.00 0.00 C ATOM 1148 O SER A 77 71.978 -5.577 0.619 1.00 0.00 O ATOM 1149 CB SER A 77 71.902 -7.769 -1.989 1.00 0.00 C ATOM 1150 OG SER A 77 71.204 -8.838 -1.367 1.00 0.00 O ATOM 0 H SER A 77 72.938 -5.101 -1.496 1.00 0.00 H new ATOM 0 HA SER A 77 70.294 -6.335 -1.885 1.00 0.00 H new ATOM 0 HB2 SER A 77 71.824 -7.852 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 77 72.962 -7.819 -1.741 1.00 0.00 H new ATOM 0 HG SER A 77 70.324 -8.942 -1.786 1.00 0.00 H new ATOM 1156 N PHE A 78 70.514 -7.290 0.600 1.00 0.00 N ATOM 1157 CA PHE A 78 70.410 -7.363 2.059 1.00 0.00 C ATOM 1158 C PHE A 78 70.677 -8.790 2.528 1.00 0.00 C ATOM 1159 O PHE A 78 70.204 -9.750 1.921 1.00 0.00 O ATOM 1160 CB PHE A 78 69.008 -6.939 2.503 1.00 0.00 C ATOM 1161 CG PHE A 78 68.752 -5.506 2.106 1.00 0.00 C ATOM 1162 CD1 PHE A 78 69.035 -4.466 3.000 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.225 -5.216 0.843 1.00 0.00 C ATOM 1164 CE1 PHE A 78 68.790 -3.137 2.629 1.00 0.00 C ATOM 1165 CE2 PHE A 78 67.982 -3.889 0.471 1.00 0.00 C ATOM 1166 CZ PHE A 78 68.263 -2.848 1.365 1.00 0.00 C ATOM 0 H PHE A 78 69.944 -7.973 0.101 1.00 0.00 H new ATOM 0 HA PHE A 78 71.148 -6.692 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 78 68.261 -7.590 2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 78 68.911 -7.049 3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 78 69.442 -4.688 3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 78 68.005 -6.018 0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.008 -2.335 3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 78 67.578 -3.668 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.073 -1.824 1.079 1.00 0.00 H new ATOM 1176 N HIS A 79 71.433 -8.917 3.616 1.00 0.00 N ATOM 1177 CA HIS A 79 71.764 -10.225 4.184 1.00 0.00 C ATOM 1178 C HIS A 79 71.258 -10.302 5.618 1.00 0.00 C ATOM 1179 O HIS A 79 71.758 -9.600 6.496 1.00 0.00 O ATOM 1180 CB HIS A 79 73.279 -10.421 4.172 1.00 0.00 C ATOM 1181 CG HIS A 79 73.614 -11.828 4.589 1.00 0.00 C ATOM 1182 ND1 HIS A 79 73.694 -12.204 5.920 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.908 -12.955 3.861 1.00 0.00 C ATOM 1184 CE1 HIS A 79 74.025 -13.507 5.952 1.00 0.00 C ATOM 1185 NE2 HIS A 79 74.166 -14.014 4.723 1.00 0.00 N ATOM 0 H HIS A 79 71.830 -8.127 4.125 1.00 0.00 H new ATOM 0 HA HIS A 79 71.291 -11.005 3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 79 73.673 -10.224 3.175 1.00 0.00 H new ATOM 0 HB3 HIS A 79 73.752 -9.709 4.848 1.00 0.00 H new ATOM 0 HD2 HIS A 79 73.935 -13.010 2.783 1.00 0.00 H new ATOM 0 HE1 HIS A 79 74.161 -14.075 6.860 1.00 0.00 H new ATOM 0 HE2 HIS A 79 74.410 -14.972 4.472 1.00 0.00 H new ATOM 1193 N VAL A 80 70.256 -11.149 5.850 1.00 0.00 N ATOM 1194 CA VAL A 80 69.674 -11.301 7.185 1.00 0.00 C ATOM 1195 C VAL A 80 69.674 -12.768 7.599 1.00 0.00 C ATOM 1196 O VAL A 80 69.224 -13.637 6.852 1.00 0.00 O ATOM 1197 CB VAL A 80 68.241 -10.749 7.179 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.790 -10.392 8.601 1.00 0.00 C ATOM 1199 CG2 VAL A 80 68.188 -9.510 6.282 1.00 0.00 C ATOM 0 H VAL A 80 69.831 -11.739 5.135 1.00 0.00 H new ATOM 0 HA VAL A 80 70.273 -10.743 7.905 1.00 0.00 H new ATOM 0 HB VAL A 80 67.565 -11.512 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.772 -10.003 8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.821 -11.284 9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.456 -9.635 9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 80 67.174 -9.111 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.872 -8.753 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.481 -9.782 5.268 1.00 0.00 H new ATOM 1209 N GLY A 81 70.183 -13.034 8.795 1.00 0.00 N ATOM 1210 CA GLY A 81 70.239 -14.398 9.302 1.00 0.00 C ATOM 1211 C GLY A 81 68.849 -15.024 9.332 1.00 0.00 C ATOM 1212 O GLY A 81 68.702 -16.216 9.598 1.00 0.00 O ATOM 0 H GLY A 81 70.560 -12.329 9.428 1.00 0.00 H new ATOM 0 HA2 GLY A 81 70.899 -14.997 8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 81 70.665 -14.400 10.305 1.00 0.00 H new ATOM 1216 N THR A 82 67.827 -14.209 9.055 1.00 0.00 N ATOM 1217 CA THR A 82 66.438 -14.686 9.050 1.00 0.00 C ATOM 1218 C THR A 82 65.887 -14.751 7.625 1.00 0.00 C ATOM 1219 O THR A 82 65.168 -15.686 7.272 1.00 0.00 O ATOM 1220 CB THR A 82 65.559 -13.743 9.874 1.00 0.00 C ATOM 1221 OG1 THR A 82 65.325 -12.553 9.136 1.00 0.00 O ATOM 1222 CG2 THR A 82 66.256 -13.397 11.189 1.00 0.00 C ATOM 0 H THR A 82 67.933 -13.219 8.832 1.00 0.00 H new ATOM 0 HA THR A 82 66.426 -15.686 9.484 1.00 0.00 H new ATOM 0 HB THR A 82 64.610 -14.234 10.091 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.615 -12.710 8.479 1.00 0.00 H new ATOM 0 HG21 THR A 82 65.624 -12.725 11.770 1.00 0.00 H new ATOM 0 HG22 THR A 82 66.434 -14.310 11.757 1.00 0.00 H new ATOM 0 HG23 THR A 82 67.208 -12.909 10.979 1.00 0.00 H new ATOM 1230 N CYS A 83 66.216 -13.745 6.818 1.00 0.00 N ATOM 1231 CA CYS A 83 65.733 -13.686 5.435 1.00 0.00 C ATOM 1232 C CYS A 83 66.752 -13.005 4.518 1.00 0.00 C ATOM 1233 O CYS A 83 67.913 -12.826 4.886 1.00 0.00 O ATOM 1234 CB CYS A 83 64.410 -12.920 5.393 1.00 0.00 C ATOM 1235 SG CYS A 83 63.296 -13.576 6.662 1.00 0.00 S ATOM 0 H CYS A 83 66.811 -12.963 7.093 1.00 0.00 H new ATOM 0 HA CYS A 83 65.587 -14.706 5.078 1.00 0.00 H new ATOM 0 HB2 CYS A 83 64.586 -11.858 5.562 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.953 -13.015 4.408 1.00 0.00 H new ATOM 0 HG CYS A 83 63.616 -14.808 6.925 1.00 0.00 H new ATOM 1241 N SER A 84 66.311 -12.644 3.310 1.00 0.00 N ATOM 1242 CA SER A 84 67.197 -11.999 2.341 1.00 0.00 C ATOM 1243 C SER A 84 66.399 -11.254 1.272 1.00 0.00 C ATOM 1244 O SER A 84 65.187 -11.433 1.144 1.00 0.00 O ATOM 1245 CB SER A 84 68.088 -13.046 1.675 1.00 0.00 C ATOM 1246 OG SER A 84 67.273 -13.962 0.955 1.00 0.00 O ATOM 0 H SER A 84 65.355 -12.786 2.983 1.00 0.00 H new ATOM 0 HA SER A 84 67.813 -11.277 2.876 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.796 -12.563 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.673 -13.575 2.427 1.00 0.00 H new ATOM 0 HG SER A 84 67.840 -14.635 0.524 1.00 0.00 H new ATOM 1252 N SER A 85 67.097 -10.418 0.506 1.00 0.00 N ATOM 1253 CA SER A 85 66.464 -9.640 -0.556 1.00 0.00 C ATOM 1254 C SER A 85 67.507 -9.193 -1.581 1.00 0.00 C ATOM 1255 O SER A 85 68.710 -9.290 -1.335 1.00 0.00 O ATOM 1256 CB SER A 85 65.772 -8.415 0.038 1.00 0.00 C ATOM 1257 OG SER A 85 65.071 -7.725 -0.988 1.00 0.00 O ATOM 0 H SER A 85 68.101 -10.262 0.601 1.00 0.00 H new ATOM 0 HA SER A 85 65.724 -10.267 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.081 -8.719 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 85 66.508 -7.755 0.498 1.00 0.00 H new ATOM 0 HG SER A 85 64.625 -6.939 -0.608 1.00 0.00 H new ATOM 1263 N GLU A 86 67.045 -8.712 -2.738 1.00 0.00 N ATOM 1264 CA GLU A 86 67.957 -8.262 -3.796 1.00 0.00 C ATOM 1265 C GLU A 86 67.505 -6.924 -4.374 1.00 0.00 C ATOM 1266 O GLU A 86 66.319 -6.591 -4.361 1.00 0.00 O ATOM 1267 CB GLU A 86 68.004 -9.292 -4.930 1.00 0.00 C ATOM 1268 CG GLU A 86 68.618 -10.595 -4.419 1.00 0.00 C ATOM 1269 CD GLU A 86 68.614 -11.638 -5.532 1.00 0.00 C ATOM 1270 OE1 GLU A 86 69.018 -12.759 -5.269 1.00 0.00 O ATOM 1271 OE2 GLU A 86 68.207 -11.299 -6.633 1.00 0.00 O1- ATOM 0 H GLU A 86 66.055 -8.624 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 86 68.946 -8.148 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 86 66.999 -9.477 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 86 68.591 -8.904 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 86 69.638 -10.418 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 86 68.054 -10.962 -3.562 1.00 0.00 H new ATOM 1278 N ALA A 87 68.466 -6.175 -4.899 1.00 0.00 N ATOM 1279 CA ALA A 87 68.190 -4.880 -5.513 1.00 0.00 C ATOM 1280 C ALA A 87 69.324 -4.536 -6.472 1.00 0.00 C ATOM 1281 O ALA A 87 70.456 -4.979 -6.282 1.00 0.00 O ATOM 1282 CB ALA A 87 68.049 -3.792 -4.441 1.00 0.00 C ATOM 0 H ALA A 87 69.450 -6.443 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 87 67.250 -4.933 -6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.844 -2.834 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.228 -4.046 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.975 -3.721 -3.870 1.00 0.00 H new ATOM 1288 N GLN A 88 69.021 -3.763 -7.515 1.00 0.00 N ATOM 1289 CA GLN A 88 70.038 -3.395 -8.506 1.00 0.00 C ATOM 1290 C GLN A 88 69.994 -1.904 -8.833 1.00 0.00 C ATOM 1291 O GLN A 88 68.929 -1.348 -9.103 1.00 0.00 O ATOM 1292 CB GLN A 88 69.809 -4.202 -9.785 1.00 0.00 C ATOM 1293 CG GLN A 88 70.067 -5.685 -9.507 1.00 0.00 C ATOM 1294 CD GLN A 88 69.837 -6.498 -10.776 1.00 0.00 C ATOM 1295 OE1 GLN A 88 70.348 -6.146 -11.839 1.00 0.00 O ATOM 1296 NE2 GLN A 88 69.097 -7.572 -10.729 1.00 0.00 N ATOM 0 H GLN A 88 68.092 -3.382 -7.697 1.00 0.00 H new ATOM 0 HA GLN A 88 71.018 -3.618 -8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.788 -4.060 -10.139 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.472 -3.848 -10.574 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.089 -5.826 -9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.406 -6.036 -8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 88 68.674 -7.862 -9.847 1.00 0.00 H new ATOM 0 HE22 GLN A 88 68.941 -8.121 -11.574 1.00 0.00 H new ATOM 1305 N LEU A 89 71.170 -1.271 -8.828 1.00 0.00 N ATOM 1306 CA LEU A 89 71.290 0.155 -9.146 1.00 0.00 C ATOM 1307 C LEU A 89 72.088 0.316 -10.436 1.00 0.00 C ATOM 1308 O LEU A 89 73.253 -0.079 -10.500 1.00 0.00 O ATOM 1309 CB LEU A 89 72.020 0.883 -8.005 1.00 0.00 C ATOM 1310 CG LEU A 89 71.823 2.404 -8.123 1.00 0.00 C ATOM 1311 CD1 LEU A 89 72.366 3.075 -6.860 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.562 2.958 -9.357 1.00 0.00 C ATOM 0 H LEU A 89 72.056 -1.725 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 89 70.295 0.583 -9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.642 0.535 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.083 0.645 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 89 70.759 2.615 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 89 72.231 4.154 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 89 71.828 2.701 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 89 73.427 2.849 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.408 4.035 -9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 89 73.628 2.748 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 89 72.173 2.483 -10.258 1.00 0.00 H new ATOM 1324 N LYS A 90 71.463 0.894 -11.463 1.00 0.00 N ATOM 1325 CA LYS A 90 72.133 1.105 -12.751 1.00 0.00 C ATOM 1326 C LYS A 90 72.001 2.558 -13.195 1.00 0.00 C ATOM 1327 O LYS A 90 70.923 3.141 -13.132 1.00 0.00 O ATOM 1328 CB LYS A 90 71.525 0.190 -13.827 1.00 0.00 C ATOM 1329 CG LYS A 90 72.507 0.051 -15.001 1.00 0.00 C ATOM 1330 CD LYS A 90 71.967 -0.940 -16.045 1.00 0.00 C ATOM 1331 CE LYS A 90 72.111 -2.385 -15.550 1.00 0.00 C ATOM 1332 NZ LYS A 90 71.910 -3.321 -16.694 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.498 1.224 -11.430 1.00 0.00 H new ATOM 0 HA LYS A 90 73.189 0.864 -12.624 1.00 0.00 H new ATOM 0 HB2 LYS A 90 71.307 -0.791 -13.404 1.00 0.00 H new ATOM 0 HB3 LYS A 90 70.579 0.603 -14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 90 72.668 1.024 -15.465 1.00 0.00 H new ATOM 0 HG3 LYS A 90 73.475 -0.291 -14.634 1.00 0.00 H new ATOM 0 HD2 LYS A 90 70.919 -0.724 -16.250 1.00 0.00 H new ATOM 0 HD3 LYS A 90 72.507 -0.817 -16.984 1.00 0.00 H new ATOM 0 HE2 LYS A 90 73.098 -2.535 -15.112 1.00 0.00 H new ATOM 0 HE3 LYS A 90 71.380 -2.588 -14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 72.007 -4.302 -16.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 70.959 -3.183 -17.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 72.623 -3.132 -17.427 1.00 0.00 H new ATOM 1346 N VAL A 91 73.109 3.134 -13.659 1.00 0.00 N ATOM 1347 CA VAL A 91 73.114 4.520 -14.131 1.00 0.00 C ATOM 1348 C VAL A 91 73.416 4.543 -15.628 1.00 0.00 C ATOM 1349 O VAL A 91 74.542 4.282 -16.052 1.00 0.00 O ATOM 1350 CB VAL A 91 74.160 5.334 -13.341 1.00 0.00 C ATOM 1351 CG1 VAL A 91 75.429 4.500 -13.135 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.517 6.624 -14.092 1.00 0.00 C ATOM 0 H VAL A 91 74.013 2.665 -13.719 1.00 0.00 H new ATOM 0 HA VAL A 91 72.136 4.973 -13.968 1.00 0.00 H new ATOM 0 HB VAL A 91 73.732 5.592 -12.372 1.00 0.00 H new ATOM 0 HG11 VAL A 91 76.161 5.083 -12.577 1.00 0.00 H new ATOM 0 HG12 VAL A 91 75.184 3.596 -12.578 1.00 0.00 H new ATOM 0 HG13 VAL A 91 75.846 4.227 -14.104 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.256 7.185 -13.520 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.929 6.374 -15.070 1.00 0.00 H new ATOM 0 HG23 VAL A 91 73.620 7.230 -14.220 1.00 0.00 H new ATOM 1362 N THR A 92 72.395 4.853 -16.428 1.00 0.00 N ATOM 1363 CA THR A 92 72.548 4.904 -17.883 1.00 0.00 C ATOM 1364 C THR A 92 72.304 6.321 -18.392 1.00 0.00 C ATOM 1365 O THR A 92 71.213 6.866 -18.232 1.00 0.00 O ATOM 1366 CB THR A 92 71.547 3.946 -18.531 1.00 0.00 C ATOM 1367 OG1 THR A 92 71.672 2.662 -17.936 1.00 0.00 O ATOM 1368 CG2 THR A 92 71.829 3.837 -20.028 1.00 0.00 C ATOM 0 H THR A 92 71.456 5.072 -16.095 1.00 0.00 H new ATOM 0 HA THR A 92 73.564 4.608 -18.145 1.00 0.00 H new ATOM 0 HB THR A 92 70.537 4.326 -18.381 1.00 0.00 H new ATOM 0 HG1 THR A 92 71.030 2.047 -18.348 1.00 0.00 H new ATOM 0 HG21 THR A 92 71.113 3.153 -20.484 1.00 0.00 H new ATOM 0 HG22 THR A 92 71.736 4.821 -20.488 1.00 0.00 H new ATOM 0 HG23 THR A 92 72.840 3.459 -20.181 1.00 0.00 H new ATOM 1376 N ALA A 93 73.324 6.909 -19.006 1.00 0.00 N ATOM 1377 CA ALA A 93 73.208 8.264 -19.535 1.00 0.00 C ATOM 1378 C ALA A 93 72.291 8.294 -20.750 1.00 0.00 C ATOM 1379 O ALA A 93 72.246 7.341 -21.530 1.00 0.00 O ATOM 1380 CB ALA A 93 74.585 8.799 -19.928 1.00 0.00 C ATOM 0 H ALA A 93 74.235 6.473 -19.150 1.00 0.00 H new ATOM 0 HA ALA A 93 72.782 8.894 -18.754 1.00 0.00 H new ATOM 0 HB1 ALA A 93 74.484 9.811 -20.321 1.00 0.00 H new ATOM 0 HB2 ALA A 93 75.233 8.813 -19.052 1.00 0.00 H new ATOM 0 HB3 ALA A 93 75.021 8.155 -20.692 1.00 0.00 H new ATOM 1386 N GLY A 94 71.562 9.396 -20.906 1.00 0.00 N ATOM 1387 CA GLY A 94 70.645 9.553 -22.034 1.00 0.00 C ATOM 1388 C GLY A 94 71.329 10.279 -23.190 1.00 0.00 C ATOM 1389 O GLY A 94 72.153 9.663 -23.846 1.00 0.00 O ATOM 0 H GLY A 94 71.587 10.192 -20.268 1.00 0.00 H new ATOM 0 HA2 GLY A 94 70.299 8.574 -22.367 1.00 0.00 H new ATOM 0 HA3 GLY A 94 69.764 10.112 -21.718 1.00 0.00 H new TER 1393 GLY A 94