USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 384 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+ -128:sc= 0.0777 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.027) USER MOD Single : A 11 SER OG : rot 43:sc= 0.652 USER MOD Single : A 13 GLN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 20 SER OG : rot -111:sc= 1.2 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.079) USER MOD Single : A 23 MET CE :methyl -147:sc= -11.9! (180deg=-15.8!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.274 K(o=-0.27,f=-0.92) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.149 F(o=-0.66,f=-0.15) USER MOD Single : A 34 TYR OH : rot 130:sc= -1.01 USER MOD Single : A 35 ASN : amide:sc= -0.021 X(o=-0.021,f=0.11) USER MOD Single : A 37 ASN : amide:sc= -6.41! C(o=-6.4!,f=-13!) USER MOD Single : A 39 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot 10:sc= -0.0158 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0865 USER MOD Single : A 49 ASN : amide:sc= -0.0694 X(o=-0.069,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.109) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 47:sc= 0.284 USER MOD Single : A 66 SER OG : rot -2:sc= 0.756! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.733 29.221 -10.778 1.00 0.00 N ATOM 2 CA GLY A 1 4.993 29.712 -11.306 1.00 0.00 C ATOM 3 C GLY A 1 4.967 29.754 -12.836 1.00 0.00 C ATOM 4 O GLY A 1 3.898 29.782 -13.442 1.00 0.00 O ATOM 0 H1 GLY A 1 3.372 29.887 -10.065 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.043 29.134 -11.551 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.880 28.290 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.191 30.710 -10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.807 29.070 -10.970 1.00 0.00 H new ATOM 8 N SER A 2 6.159 29.758 -13.415 1.00 0.00 N ATOM 9 CA SER A 2 6.287 29.796 -14.862 1.00 0.00 C ATOM 10 C SER A 2 7.735 29.512 -15.268 1.00 0.00 C ATOM 11 O SER A 2 8.001 28.570 -16.013 1.00 0.00 O ATOM 12 CB SER A 2 5.835 31.148 -15.420 1.00 0.00 C ATOM 13 OG SER A 2 5.498 31.069 -16.803 1.00 0.00 O ATOM 0 H SER A 2 7.044 29.736 -12.909 1.00 0.00 H new ATOM 0 HA SER A 2 5.641 29.025 -15.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.972 31.503 -14.856 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.630 31.881 -15.282 1.00 0.00 H new ATOM 0 HG SER A 2 5.213 31.951 -17.121 1.00 0.00 H new ATOM 18 N SER A 3 8.632 30.344 -14.760 1.00 0.00 N ATOM 19 CA SER A 3 10.046 30.193 -15.060 1.00 0.00 C ATOM 20 C SER A 3 10.847 30.080 -13.761 1.00 0.00 C ATOM 21 O SER A 3 10.643 30.860 -12.831 1.00 0.00 O ATOM 22 CB SER A 3 10.559 31.366 -15.898 1.00 0.00 C ATOM 23 OG SER A 3 10.160 32.623 -15.359 1.00 0.00 O ATOM 0 H SER A 3 8.408 31.125 -14.143 1.00 0.00 H new ATOM 0 HA SER A 3 10.177 29.280 -15.642 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.647 31.324 -15.952 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.185 31.274 -16.918 1.00 0.00 H new ATOM 0 HG SER A 3 10.509 33.346 -15.922 1.00 0.00 H new ATOM 28 N GLY A 4 11.740 29.102 -13.738 1.00 0.00 N ATOM 29 CA GLY A 4 12.573 28.876 -12.568 1.00 0.00 C ATOM 30 C GLY A 4 13.224 27.492 -12.618 1.00 0.00 C ATOM 31 O GLY A 4 12.612 26.499 -12.227 1.00 0.00 O ATOM 0 H GLY A 4 11.905 28.457 -14.510 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.345 29.643 -12.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.970 28.966 -11.665 1.00 0.00 H new ATOM 35 N SER A 5 14.458 27.471 -13.102 1.00 0.00 N ATOM 36 CA SER A 5 15.198 26.226 -13.208 1.00 0.00 C ATOM 37 C SER A 5 14.434 25.235 -14.089 1.00 0.00 C ATOM 38 O SER A 5 13.241 25.407 -14.331 1.00 0.00 O ATOM 39 CB SER A 5 15.456 25.619 -11.828 1.00 0.00 C ATOM 40 OG SER A 5 16.495 26.301 -11.129 1.00 0.00 O ATOM 0 H SER A 5 14.963 28.296 -13.425 1.00 0.00 H new ATOM 0 HA SER A 5 16.163 26.441 -13.667 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.539 25.655 -11.239 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.723 24.568 -11.939 1.00 0.00 H new ATOM 0 HG SER A 5 16.628 25.884 -10.252 1.00 0.00 H new ATOM 45 N SER A 6 15.153 24.221 -14.544 1.00 0.00 N ATOM 46 CA SER A 6 14.559 23.202 -15.393 1.00 0.00 C ATOM 47 C SER A 6 14.886 21.810 -14.848 1.00 0.00 C ATOM 48 O SER A 6 16.030 21.530 -14.496 1.00 0.00 O ATOM 49 CB SER A 6 15.046 23.335 -16.837 1.00 0.00 C ATOM 50 OG SER A 6 14.402 24.407 -17.521 1.00 0.00 O ATOM 0 H SER A 6 16.143 24.082 -14.341 1.00 0.00 H new ATOM 0 HA SER A 6 13.478 23.342 -15.389 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.124 23.497 -16.843 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.861 22.402 -17.369 1.00 0.00 H new ATOM 0 HG SER A 6 14.741 24.460 -18.439 1.00 0.00 H new ATOM 55 N GLY A 7 13.859 20.973 -14.796 1.00 0.00 N ATOM 56 CA GLY A 7 14.023 19.618 -14.301 1.00 0.00 C ATOM 57 C GLY A 7 12.666 18.935 -14.111 1.00 0.00 C ATOM 58 O GLY A 7 12.199 18.221 -14.996 1.00 0.00 O ATOM 0 H GLY A 7 12.911 21.208 -15.089 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.629 19.042 -15.001 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.561 19.636 -13.353 1.00 0.00 H new ATOM 62 N PRO A 8 12.058 19.187 -12.922 1.00 0.00 N ATOM 63 CA PRO A 8 10.764 18.606 -12.605 1.00 0.00 C ATOM 64 C PRO A 8 9.643 19.314 -13.368 1.00 0.00 C ATOM 65 O PRO A 8 8.927 20.138 -12.802 1.00 0.00 O ATOM 66 CB PRO A 8 10.632 18.738 -11.097 1.00 0.00 C ATOM 67 CG PRO A 8 11.638 19.799 -10.681 1.00 0.00 C ATOM 68 CD PRO A 8 12.582 20.030 -11.850 1.00 0.00 C ATOM 0 HA PRO A 8 10.686 17.562 -12.908 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.619 19.029 -10.818 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.839 17.789 -10.602 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.128 20.724 -10.413 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.193 19.475 -9.801 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.599 21.079 -12.144 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.605 19.754 -11.593 1.00 0.00 H new ATOM 73 N SER A 9 9.526 18.965 -14.641 1.00 0.00 N ATOM 74 CA SER A 9 8.504 19.557 -15.487 1.00 0.00 C ATOM 75 C SER A 9 7.113 19.196 -14.959 1.00 0.00 C ATOM 76 O SER A 9 6.326 20.079 -14.621 1.00 0.00 O ATOM 77 CB SER A 9 8.656 19.097 -16.939 1.00 0.00 C ATOM 78 OG SER A 9 9.572 19.912 -17.663 1.00 0.00 O ATOM 0 H SER A 9 10.122 18.280 -15.107 1.00 0.00 H new ATOM 0 HA SER A 9 8.625 20.640 -15.462 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.998 18.062 -16.958 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.683 19.120 -17.430 1.00 0.00 H new ATOM 0 HG SER A 9 9.643 19.585 -18.584 1.00 0.00 H new ATOM 83 N HIS A 10 6.854 17.898 -14.906 1.00 0.00 N ATOM 84 CA HIS A 10 5.573 17.411 -14.425 1.00 0.00 C ATOM 85 C HIS A 10 5.776 16.625 -13.127 1.00 0.00 C ATOM 86 O HIS A 10 6.900 16.250 -12.796 1.00 0.00 O ATOM 87 CB HIS A 10 4.862 16.594 -15.506 1.00 0.00 C ATOM 88 CG HIS A 10 3.359 16.745 -15.501 1.00 0.00 C ATOM 89 ND1 HIS A 10 2.499 15.679 -15.695 1.00 0.00 N ATOM 90 CD2 HIS A 10 2.574 17.846 -15.321 1.00 0.00 C ATOM 91 CE1 HIS A 10 1.254 16.130 -15.635 1.00 0.00 C ATOM 92 NE2 HIS A 10 1.303 17.473 -15.404 1.00 0.00 N ATOM 0 H HIS A 10 7.509 17.169 -15.188 1.00 0.00 H new ATOM 0 HA HIS A 10 4.921 18.255 -14.200 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.244 16.892 -16.482 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.112 15.541 -15.374 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.927 18.851 -15.141 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.358 15.538 -15.749 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.496 18.089 -15.310 1.00 0.00 H new ATOM 99 N SER A 11 4.673 16.402 -12.429 1.00 0.00 N ATOM 100 CA SER A 11 4.717 15.669 -11.176 1.00 0.00 C ATOM 101 C SER A 11 4.015 14.319 -11.334 1.00 0.00 C ATOM 102 O SER A 11 2.808 14.214 -11.126 1.00 0.00 O ATOM 103 CB SER A 11 4.071 16.472 -10.044 1.00 0.00 C ATOM 104 OG SER A 11 2.718 16.811 -10.335 1.00 0.00 O ATOM 0 H SER A 11 3.743 16.716 -12.707 1.00 0.00 H new ATOM 0 HA SER A 11 5.762 15.501 -10.916 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.109 15.893 -9.121 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.644 17.383 -9.873 1.00 0.00 H new ATOM 0 HG SER A 11 2.265 16.038 -10.731 1.00 0.00 H new ATOM 109 N LEU A 12 4.802 13.319 -11.702 1.00 0.00 N ATOM 110 CA LEU A 12 4.272 11.979 -11.891 1.00 0.00 C ATOM 111 C LEU A 12 5.383 10.956 -11.647 1.00 0.00 C ATOM 112 O LEU A 12 6.232 10.739 -12.509 1.00 0.00 O ATOM 113 CB LEU A 12 3.611 11.853 -13.266 1.00 0.00 C ATOM 114 CG LEU A 12 2.375 10.955 -13.336 1.00 0.00 C ATOM 115 CD1 LEU A 12 1.642 11.136 -14.667 1.00 0.00 C ATOM 116 CD2 LEU A 12 2.745 9.492 -13.079 1.00 0.00 C ATOM 0 H LEU A 12 5.803 13.410 -11.874 1.00 0.00 H new ATOM 0 HA LEU A 12 3.485 11.775 -11.165 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.331 12.850 -13.605 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.352 11.473 -13.970 1.00 0.00 H new ATOM 0 HG LEU A 12 1.687 11.256 -12.546 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.767 10.487 -14.692 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.326 12.174 -14.770 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.310 10.876 -15.488 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.848 8.875 -13.134 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.461 9.160 -13.831 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.190 9.398 -12.088 1.00 0.00 H new ATOM 127 N GLN A 13 5.341 10.354 -10.467 1.00 0.00 N ATOM 128 CA GLN A 13 6.333 9.359 -10.098 1.00 0.00 C ATOM 129 C GLN A 13 5.658 8.015 -9.818 1.00 0.00 C ATOM 130 O GLN A 13 4.464 7.964 -9.526 1.00 0.00 O ATOM 131 CB GLN A 13 7.152 9.822 -8.893 1.00 0.00 C ATOM 132 CG GLN A 13 8.434 8.999 -8.752 1.00 0.00 C ATOM 133 CD GLN A 13 9.620 9.890 -8.378 1.00 0.00 C ATOM 134 OE1 GLN A 13 9.622 10.574 -7.368 1.00 0.00 O ATOM 135 NE2 GLN A 13 10.627 9.842 -9.245 1.00 0.00 N ATOM 0 H GLN A 13 4.635 10.537 -9.754 1.00 0.00 H new ATOM 0 HA GLN A 13 7.020 9.231 -10.935 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.403 10.877 -9.003 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.555 9.730 -7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.296 8.232 -7.990 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.644 8.483 -9.689 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.561 9.248 -10.071 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.466 10.399 -9.084 1.00 0.00 H new ATOM 142 N ALA A 14 6.452 6.958 -9.916 1.00 0.00 N ATOM 143 CA ALA A 14 5.945 5.618 -9.676 1.00 0.00 C ATOM 144 C ALA A 14 5.185 5.593 -8.350 1.00 0.00 C ATOM 145 O ALA A 14 5.469 6.385 -7.452 1.00 0.00 O ATOM 146 CB ALA A 14 7.107 4.622 -9.700 1.00 0.00 C ATOM 0 H ALA A 14 7.442 7.003 -10.158 1.00 0.00 H new ATOM 0 HA ALA A 14 5.247 5.326 -10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.728 3.616 -9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.596 4.657 -10.674 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.826 4.883 -8.923 1.00 0.00 H new ATOM 152 N PRO A 15 4.205 4.653 -8.265 1.00 0.00 N ATOM 153 CA PRO A 15 3.400 4.516 -7.063 1.00 0.00 C ATOM 154 C PRO A 15 4.196 3.839 -5.946 1.00 0.00 C ATOM 155 O PRO A 15 4.440 4.439 -4.900 1.00 0.00 O ATOM 156 CB PRO A 15 2.182 3.716 -7.495 1.00 0.00 C ATOM 157 CG PRO A 15 2.569 3.040 -8.800 1.00 0.00 C ATOM 158 CD PRO A 15 3.840 3.700 -9.309 1.00 0.00 C ATOM 0 HA PRO A 15 3.100 5.477 -6.644 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.910 2.979 -6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.317 4.365 -7.633 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.729 1.973 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.768 3.138 -9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.630 2.967 -9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.672 4.202 -10.262 1.00 0.00 H new ATOM 163 N GLU A 16 4.577 2.596 -6.204 1.00 0.00 N ATOM 164 CA GLU A 16 5.339 1.831 -5.233 1.00 0.00 C ATOM 165 C GLU A 16 6.456 2.691 -4.637 1.00 0.00 C ATOM 166 O GLU A 16 6.732 2.614 -3.440 1.00 0.00 O ATOM 167 CB GLU A 16 5.906 0.556 -5.862 1.00 0.00 C ATOM 168 CG GLU A 16 6.314 0.797 -7.317 1.00 0.00 C ATOM 169 CD GLU A 16 7.707 0.229 -7.597 1.00 0.00 C ATOM 170 OE1 GLU A 16 8.508 0.192 -6.639 1.00 0.00 O ATOM 171 OE2 GLU A 16 7.938 -0.157 -8.764 1.00 0.00 O ATOM 0 H GLU A 16 4.372 2.100 -7.072 1.00 0.00 H new ATOM 0 HA GLU A 16 4.668 1.533 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.770 0.217 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.161 -0.239 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.587 0.333 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.304 1.866 -7.529 1.00 0.00 H new ATOM 176 N VAL A 17 7.068 3.490 -5.499 1.00 0.00 N ATOM 177 CA VAL A 17 8.148 4.363 -5.072 1.00 0.00 C ATOM 178 C VAL A 17 7.578 5.481 -4.196 1.00 0.00 C ATOM 179 O VAL A 17 8.201 5.883 -3.215 1.00 0.00 O ATOM 180 CB VAL A 17 8.909 4.888 -6.291 1.00 0.00 C ATOM 181 CG1 VAL A 17 9.848 6.031 -5.901 1.00 0.00 C ATOM 182 CG2 VAL A 17 9.677 3.760 -6.985 1.00 0.00 C ATOM 0 H VAL A 17 6.837 3.551 -6.491 1.00 0.00 H new ATOM 0 HA VAL A 17 8.869 3.812 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 17 8.179 5.281 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.377 6.386 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.268 6.848 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.570 5.674 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.209 4.160 -7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.392 3.324 -6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.977 2.992 -7.314 1.00 0.00 H new ATOM 192 N ARG A 18 6.402 5.950 -4.582 1.00 0.00 N ATOM 193 CA ARG A 18 5.741 7.014 -3.845 1.00 0.00 C ATOM 194 C ARG A 18 5.335 6.522 -2.454 1.00 0.00 C ATOM 195 O ARG A 18 5.790 7.056 -1.445 1.00 0.00 O ATOM 196 CB ARG A 18 4.498 7.509 -4.586 1.00 0.00 C ATOM 197 CG ARG A 18 4.315 9.017 -4.406 1.00 0.00 C ATOM 198 CD ARG A 18 3.861 9.348 -2.982 1.00 0.00 C ATOM 199 NE ARG A 18 4.107 10.777 -2.692 1.00 0.00 N ATOM 200 CZ ARG A 18 3.470 11.471 -1.739 1.00 0.00 C ATOM 201 NH1 ARG A 18 2.544 10.870 -0.979 1.00 0.00 N ATOM 202 NH2 ARG A 18 3.758 12.765 -1.546 1.00 0.00 N ATOM 0 H ARG A 18 5.889 5.613 -5.396 1.00 0.00 H new ATOM 0 HA ARG A 18 6.446 7.840 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.585 7.274 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.617 6.986 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.253 9.529 -4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.580 9.386 -5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.801 9.123 -2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.398 8.725 -2.266 1.00 0.00 H new ATOM 0 HE ARG A 18 4.805 11.265 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.324 9.885 -1.126 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.059 11.398 -0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.462 13.222 -2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.273 13.293 -0.820 1.00 0.00 H new ATOM 213 N PHE A 19 4.481 5.508 -2.446 1.00 0.00 N ATOM 214 CA PHE A 19 4.009 4.938 -1.196 1.00 0.00 C ATOM 215 C PHE A 19 4.810 3.689 -0.825 1.00 0.00 C ATOM 216 O PHE A 19 4.243 2.610 -0.656 1.00 0.00 O ATOM 217 CB PHE A 19 2.545 4.546 -1.408 1.00 0.00 C ATOM 218 CG PHE A 19 1.756 5.532 -2.272 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.517 6.793 -1.821 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.295 5.148 -3.493 1.00 0.00 C ATOM 221 CE1 PHE A 19 0.785 7.707 -2.623 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.562 6.062 -4.295 1.00 0.00 C ATOM 223 CZ PHE A 19 0.323 7.323 -3.843 1.00 0.00 C ATOM 0 H PHE A 19 4.104 5.067 -3.285 1.00 0.00 H new ATOM 0 HA PHE A 19 4.124 5.663 -0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.507 3.561 -1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.058 4.460 -0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.884 7.099 -0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.487 4.148 -3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.595 8.708 -2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.194 5.757 -5.263 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.234 8.019 -4.453 1.00 0.00 H new ATOM 232 N SER A 20 6.117 3.875 -0.710 1.00 0.00 N ATOM 233 CA SER A 20 7.002 2.776 -0.362 1.00 0.00 C ATOM 234 C SER A 20 7.154 2.688 1.157 1.00 0.00 C ATOM 235 O SER A 20 6.919 1.635 1.748 1.00 0.00 O ATOM 236 CB SER A 20 8.371 2.941 -1.025 1.00 0.00 C ATOM 237 OG SER A 20 8.704 4.312 -1.227 1.00 0.00 O ATOM 0 H SER A 20 6.584 4.770 -0.852 1.00 0.00 H new ATOM 0 HA SER A 20 6.560 1.850 -0.730 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.134 2.470 -0.405 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.375 2.422 -1.983 1.00 0.00 H new ATOM 0 HG SER A 20 8.689 4.514 -2.186 1.00 0.00 H new ATOM 242 N LYS A 21 7.547 3.808 1.747 1.00 0.00 N ATOM 243 CA LYS A 21 7.735 3.869 3.186 1.00 0.00 C ATOM 244 C LYS A 21 6.550 3.194 3.880 1.00 0.00 C ATOM 245 O LYS A 21 6.711 2.577 4.931 1.00 0.00 O ATOM 246 CB LYS A 21 7.967 5.314 3.635 1.00 0.00 C ATOM 247 CG LYS A 21 9.435 5.710 3.464 1.00 0.00 C ATOM 248 CD LYS A 21 9.876 6.670 4.571 1.00 0.00 C ATOM 249 CE LYS A 21 11.402 6.762 4.642 1.00 0.00 C ATOM 250 NZ LYS A 21 11.963 5.557 5.293 1.00 0.00 N ATOM 0 H LYS A 21 7.740 4.680 1.254 1.00 0.00 H new ATOM 0 HA LYS A 21 8.631 3.320 3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.335 5.986 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.675 5.426 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.061 4.818 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.578 6.181 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.457 7.659 4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.484 6.330 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.813 6.865 3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.693 7.653 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.966 5.719 5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.439 5.360 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.879 4.744 4.650 1.00 0.00 H new ATOM 260 N GLU A 22 5.386 3.332 3.262 1.00 0.00 N ATOM 261 CA GLU A 22 4.175 2.743 3.807 1.00 0.00 C ATOM 262 C GLU A 22 4.185 1.227 3.604 1.00 0.00 C ATOM 263 O GLU A 22 4.077 0.469 4.567 1.00 0.00 O ATOM 264 CB GLU A 22 2.929 3.372 3.179 1.00 0.00 C ATOM 265 CG GLU A 22 2.749 4.817 3.646 1.00 0.00 C ATOM 266 CD GLU A 22 3.327 5.800 2.625 1.00 0.00 C ATOM 267 OE1 GLU A 22 2.940 5.681 1.442 1.00 0.00 O ATOM 268 OE2 GLU A 22 4.142 6.648 3.050 1.00 0.00 O ATOM 0 H GLU A 22 5.256 3.843 2.389 1.00 0.00 H new ATOM 0 HA GLU A 22 4.145 2.947 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.012 3.345 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.049 2.788 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.690 5.025 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.241 4.956 4.609 1.00 0.00 H new ATOM 273 N MET A 23 4.314 0.831 2.347 1.00 0.00 N ATOM 274 CA MET A 23 4.340 -0.582 2.006 1.00 0.00 C ATOM 275 C MET A 23 5.231 -1.363 2.973 1.00 0.00 C ATOM 276 O MET A 23 4.885 -2.469 3.387 1.00 0.00 O ATOM 277 CB MET A 23 4.863 -0.753 0.578 1.00 0.00 C ATOM 278 CG MET A 23 3.772 -0.436 -0.446 1.00 0.00 C ATOM 279 SD MET A 23 2.378 -1.527 -0.213 1.00 0.00 S ATOM 280 CE MET A 23 2.761 -2.780 -1.425 1.00 0.00 C ATOM 0 H MET A 23 4.402 1.463 1.552 1.00 0.00 H new ATOM 0 HA MET A 23 3.325 -0.973 2.080 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.718 -0.096 0.419 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.215 -1.775 0.436 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.454 0.601 -0.341 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.167 -0.548 -1.456 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.836 -3.179 -1.841 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.359 -2.342 -2.224 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.322 -3.585 -0.951 1.00 0.00 H new ATOM 288 N GLU A 24 6.361 -0.757 3.307 1.00 0.00 N ATOM 289 CA GLU A 24 7.305 -1.382 4.219 1.00 0.00 C ATOM 290 C GLU A 24 6.679 -1.537 5.607 1.00 0.00 C ATOM 291 O GLU A 24 6.852 -2.566 6.259 1.00 0.00 O ATOM 292 CB GLU A 24 8.608 -0.586 4.290 1.00 0.00 C ATOM 293 CG GLU A 24 9.726 -1.294 3.522 1.00 0.00 C ATOM 294 CD GLU A 24 10.812 -1.798 4.476 1.00 0.00 C ATOM 295 OE1 GLU A 24 11.259 -0.981 5.309 1.00 0.00 O ATOM 296 OE2 GLU A 24 11.169 -2.989 4.350 1.00 0.00 O ATOM 0 H GLU A 24 6.644 0.160 2.963 1.00 0.00 H new ATOM 0 HA GLU A 24 7.546 -2.375 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.452 0.410 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.903 -0.456 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.313 -2.132 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.164 -0.609 2.796 1.00 0.00 H new ATOM 301 N CYS A 25 5.965 -0.499 6.018 1.00 0.00 N ATOM 302 CA CYS A 25 5.313 -0.506 7.316 1.00 0.00 C ATOM 303 C CYS A 25 4.251 -1.607 7.315 1.00 0.00 C ATOM 304 O CYS A 25 4.025 -2.259 8.333 1.00 0.00 O ATOM 305 CB CYS A 25 4.717 0.861 7.657 1.00 0.00 C ATOM 306 SG CYS A 25 5.110 1.301 9.390 1.00 0.00 S ATOM 0 H CYS A 25 5.824 0.353 5.475 1.00 0.00 H new ATOM 0 HA CYS A 25 6.048 -0.713 8.093 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.114 1.619 6.982 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.637 0.842 7.514 1.00 0.00 H new ATOM 0 HG CYS A 25 4.601 2.464 9.668 1.00 0.00 H new ATOM 311 N LEU A 26 3.627 -1.782 6.159 1.00 0.00 N ATOM 312 CA LEU A 26 2.594 -2.793 6.011 1.00 0.00 C ATOM 313 C LEU A 26 3.196 -4.173 6.281 1.00 0.00 C ATOM 314 O LEU A 26 2.805 -4.850 7.231 1.00 0.00 O ATOM 315 CB LEU A 26 1.919 -2.674 4.643 1.00 0.00 C ATOM 316 CG LEU A 26 1.070 -1.420 4.422 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.759 -1.224 2.937 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.201 -1.461 5.273 1.00 0.00 C ATOM 0 H LEU A 26 3.817 -1.240 5.316 1.00 0.00 H new ATOM 0 HA LEU A 26 1.803 -2.640 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.691 -2.706 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.286 -3.549 4.495 1.00 0.00 H new ATOM 0 HG LEU A 26 1.647 -0.555 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.155 -0.326 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.691 -1.118 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.210 -2.088 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.786 -0.558 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.792 -2.335 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.069 -1.519 6.327 1.00 0.00 H new ATOM 329 N GLN A 27 4.137 -4.551 5.428 1.00 0.00 N ATOM 330 CA GLN A 27 4.796 -5.839 5.562 1.00 0.00 C ATOM 331 C GLN A 27 5.045 -6.156 7.038 1.00 0.00 C ATOM 332 O GLN A 27 4.663 -7.222 7.520 1.00 0.00 O ATOM 333 CB GLN A 27 6.103 -5.871 4.768 1.00 0.00 C ATOM 334 CG GLN A 27 6.031 -6.898 3.636 1.00 0.00 C ATOM 335 CD GLN A 27 6.783 -8.178 4.007 1.00 0.00 C ATOM 336 OE1 GLN A 27 6.450 -8.873 4.953 1.00 0.00 O ATOM 337 NE2 GLN A 27 7.815 -8.448 3.213 1.00 0.00 N ATOM 0 H GLN A 27 4.459 -3.987 4.641 1.00 0.00 H new ATOM 0 HA GLN A 27 4.140 -6.606 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.306 -4.883 4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.931 -6.115 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.989 -7.134 3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.456 -6.473 2.727 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.039 -7.824 2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.382 -9.279 3.379 1.00 0.00 H new ATOM 344 N ALA A 28 5.681 -5.211 7.715 1.00 0.00 N ATOM 345 CA ALA A 28 5.984 -5.377 9.127 1.00 0.00 C ATOM 346 C ALA A 28 4.770 -5.977 9.838 1.00 0.00 C ATOM 347 O ALA A 28 4.875 -7.020 10.481 1.00 0.00 O ATOM 348 CB ALA A 28 6.402 -4.030 9.721 1.00 0.00 C ATOM 0 H ALA A 28 5.995 -4.328 7.312 1.00 0.00 H new ATOM 0 HA ALA A 28 6.818 -6.066 9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.629 -4.154 10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.286 -3.662 9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.589 -3.314 9.606 1.00 0.00 H new ATOM 354 N MET A 29 3.644 -5.292 9.698 1.00 0.00 N ATOM 355 CA MET A 29 2.410 -5.744 10.319 1.00 0.00 C ATOM 356 C MET A 29 2.078 -7.177 9.899 1.00 0.00 C ATOM 357 O MET A 29 1.520 -7.943 10.682 1.00 0.00 O ATOM 358 CB MET A 29 1.265 -4.815 9.914 1.00 0.00 C ATOM 359 CG MET A 29 1.112 -3.664 10.912 1.00 0.00 C ATOM 360 SD MET A 29 -0.344 -2.708 10.523 1.00 0.00 S ATOM 361 CE MET A 29 0.377 -1.078 10.412 1.00 0.00 C ATOM 0 H MET A 29 3.560 -4.427 9.164 1.00 0.00 H new ATOM 0 HA MET A 29 2.541 -5.724 11.401 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.452 -4.414 8.918 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.335 -5.381 9.861 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.038 -4.058 11.926 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.995 -3.026 10.882 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.400 -0.352 10.173 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.836 -0.818 11.366 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.136 -1.068 9.629 1.00 0.00 H new ATOM 369 N GLY A 30 2.436 -7.496 8.664 1.00 0.00 N ATOM 370 CA GLY A 30 2.184 -8.824 8.131 1.00 0.00 C ATOM 371 C GLY A 30 1.506 -8.746 6.762 1.00 0.00 C ATOM 372 O GLY A 30 1.388 -9.752 6.064 1.00 0.00 O ATOM 0 H GLY A 30 2.899 -6.858 8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.124 -9.369 8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.553 -9.383 8.822 1.00 0.00 H new ATOM 376 N PHE A 31 1.077 -7.539 6.418 1.00 0.00 N ATOM 377 CA PHE A 31 0.414 -7.316 5.144 1.00 0.00 C ATOM 378 C PHE A 31 1.398 -7.459 3.982 1.00 0.00 C ATOM 379 O PHE A 31 1.806 -6.464 3.384 1.00 0.00 O ATOM 380 CB PHE A 31 -0.127 -5.885 5.167 1.00 0.00 C ATOM 381 CG PHE A 31 -1.289 -5.674 6.139 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.493 -6.257 5.896 1.00 0.00 C ATOM 383 CD2 PHE A 31 -1.118 -4.904 7.246 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.572 -6.061 6.799 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.196 -4.708 8.150 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.401 -5.291 7.906 1.00 0.00 C ATOM 0 H PHE A 31 1.176 -6.707 6.999 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.380 -8.049 5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.683 -5.206 5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.453 -5.615 4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.629 -6.869 5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.162 -4.441 7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.528 -6.524 6.606 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.059 -4.097 9.030 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.222 -5.142 8.592 1.00 0.00 H new ATOM 395 N VAL A 32 1.750 -8.703 3.695 1.00 0.00 N ATOM 396 CA VAL A 32 2.678 -8.989 2.615 1.00 0.00 C ATOM 397 C VAL A 32 2.036 -8.602 1.280 1.00 0.00 C ATOM 398 O VAL A 32 2.704 -8.069 0.397 1.00 0.00 O ATOM 399 CB VAL A 32 3.108 -10.457 2.668 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.702 -10.804 4.034 1.00 0.00 C ATOM 401 CG2 VAL A 32 1.939 -11.383 2.327 1.00 0.00 C ATOM 0 H VAL A 32 1.409 -9.525 4.192 1.00 0.00 H new ATOM 0 HA VAL A 32 3.585 -8.395 2.724 1.00 0.00 H new ATOM 0 HB VAL A 32 3.884 -10.607 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.000 -11.853 4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.574 -10.177 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.956 -10.630 4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.271 -12.420 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.132 -11.229 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.580 -11.160 1.322 1.00 0.00 H new ATOM 411 N ASN A 33 0.745 -8.887 1.178 1.00 0.00 N ATOM 412 CA ASN A 33 0.005 -8.575 -0.033 1.00 0.00 C ATOM 413 C ASN A 33 0.436 -7.200 -0.550 1.00 0.00 C ATOM 414 O ASN A 33 -0.052 -6.176 -0.077 1.00 0.00 O ATOM 415 CB ASN A 33 -1.500 -8.528 0.238 1.00 0.00 C ATOM 416 CG ASN A 33 -1.959 -9.775 0.996 1.00 0.00 C ATOM 417 OD1 ASN A 33 -2.018 -9.614 2.316 1.00 0.00 O flip ATOM 418 ND2 ASN A 33 -2.242 -10.814 0.423 1.00 0.00 N flip ATOM 0 H ASN A 33 0.194 -9.330 1.913 1.00 0.00 H new ATOM 0 HA ASN A 33 0.215 -9.353 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.741 -7.637 0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.041 -8.452 -0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.175 -10.871 -0.593 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.546 -11.626 0.960 1.00 0.00 H new ATOM 424 N TYR A 34 1.345 -7.224 -1.514 1.00 0.00 N ATOM 425 CA TYR A 34 1.846 -5.992 -2.099 1.00 0.00 C ATOM 426 C TYR A 34 0.891 -5.467 -3.172 1.00 0.00 C ATOM 427 O TYR A 34 0.348 -4.370 -3.042 1.00 0.00 O ATOM 428 CB TYR A 34 3.183 -6.350 -2.754 1.00 0.00 C ATOM 429 CG TYR A 34 4.009 -5.136 -3.183 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.827 -4.501 -2.271 1.00 0.00 C ATOM 431 CD2 TYR A 34 3.938 -4.678 -4.483 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.605 -3.358 -2.676 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.716 -3.535 -4.887 1.00 0.00 C ATOM 434 CZ TYR A 34 5.511 -2.932 -3.963 1.00 0.00 C ATOM 435 OH TYR A 34 6.247 -1.854 -4.346 1.00 0.00 O ATOM 0 H TYR A 34 1.747 -8.076 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 34 1.947 -5.218 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.769 -6.948 -2.056 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.993 -6.974 -3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.884 -4.861 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.299 -5.176 -5.197 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.249 -2.851 -1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.669 -3.165 -5.901 1.00 0.00 H new ATOM 0 HH TYR A 34 6.737 -2.068 -5.168 1.00 0.00 H new ATOM 444 N ASN A 35 0.715 -6.273 -4.209 1.00 0.00 N ATOM 445 CA ASN A 35 -0.166 -5.903 -5.303 1.00 0.00 C ATOM 446 C ASN A 35 -1.476 -5.352 -4.735 1.00 0.00 C ATOM 447 O ASN A 35 -2.153 -4.558 -5.386 1.00 0.00 O ATOM 448 CB ASN A 35 -0.501 -7.115 -6.175 1.00 0.00 C ATOM 449 CG ASN A 35 -0.612 -6.718 -7.648 1.00 0.00 C ATOM 450 OD1 ASN A 35 -1.459 -5.934 -8.044 1.00 0.00 O ATOM 451 ND2 ASN A 35 0.288 -7.300 -8.434 1.00 0.00 N ATOM 0 H ASN A 35 1.168 -7.181 -4.314 1.00 0.00 H new ATOM 0 HA ASN A 35 0.345 -5.154 -5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.270 -7.876 -6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.440 -7.558 -5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.297 -7.100 -9.434 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.969 -7.947 -8.037 1.00 0.00 H new ATOM 457 N ALA A 36 -1.793 -5.797 -3.528 1.00 0.00 N ATOM 458 CA ALA A 36 -3.009 -5.358 -2.864 1.00 0.00 C ATOM 459 C ALA A 36 -2.742 -4.037 -2.140 1.00 0.00 C ATOM 460 O ALA A 36 -3.295 -3.001 -2.506 1.00 0.00 O ATOM 461 CB ALA A 36 -3.498 -6.454 -1.916 1.00 0.00 C ATOM 0 H ALA A 36 -1.229 -6.457 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.800 -5.180 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.410 -6.124 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.702 -7.362 -2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.731 -6.658 -1.169 1.00 0.00 H new ATOM 467 N ASN A 37 -1.894 -4.117 -1.125 1.00 0.00 N ATOM 468 CA ASN A 37 -1.547 -2.940 -0.346 1.00 0.00 C ATOM 469 C ASN A 37 -1.362 -1.747 -1.286 1.00 0.00 C ATOM 470 O ASN A 37 -1.977 -0.699 -1.094 1.00 0.00 O ATOM 471 CB ASN A 37 -0.236 -3.150 0.415 1.00 0.00 C ATOM 472 CG ASN A 37 -0.412 -4.177 1.536 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.493 -4.381 2.062 1.00 0.00 O ATOM 474 ND2 ASN A 37 0.710 -4.808 1.872 1.00 0.00 N ATOM 0 H ASN A 37 -1.437 -4.978 -0.824 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.352 -2.758 0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.539 -3.487 -0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.101 -2.202 0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.698 -5.511 2.611 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.582 -4.589 1.391 1.00 0.00 H new ATOM 480 N LEU A 38 -0.512 -1.947 -2.282 1.00 0.00 N ATOM 481 CA LEU A 38 -0.238 -0.900 -3.253 1.00 0.00 C ATOM 482 C LEU A 38 -1.561 -0.364 -3.805 1.00 0.00 C ATOM 483 O LEU A 38 -1.878 0.813 -3.633 1.00 0.00 O ATOM 484 CB LEU A 38 0.718 -1.409 -4.333 1.00 0.00 C ATOM 485 CG LEU A 38 1.796 -0.425 -4.792 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.596 -0.996 -5.964 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.189 0.940 -5.123 1.00 0.00 C ATOM 0 H LEU A 38 -0.004 -2.818 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 38 0.272 -0.062 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.209 -2.308 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.129 -1.704 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 38 2.494 -0.275 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.355 -0.277 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.078 -1.924 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.925 -1.194 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.977 1.620 -5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.456 0.828 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.701 1.346 -4.237 1.00 0.00 H new ATOM 498 N GLN A 39 -2.297 -1.252 -4.456 1.00 0.00 N ATOM 499 CA GLN A 39 -3.578 -0.883 -5.034 1.00 0.00 C ATOM 500 C GLN A 39 -4.386 -0.043 -4.042 1.00 0.00 C ATOM 501 O GLN A 39 -5.100 0.876 -4.438 1.00 0.00 O ATOM 502 CB GLN A 39 -4.362 -2.122 -5.469 1.00 0.00 C ATOM 503 CG GLN A 39 -3.678 -2.819 -6.647 1.00 0.00 C ATOM 504 CD GLN A 39 -4.111 -2.198 -7.977 1.00 0.00 C ATOM 505 OE1 GLN A 39 -4.006 -1.003 -8.196 1.00 0.00 O ATOM 506 NE2 GLN A 39 -4.602 -3.075 -8.848 1.00 0.00 N ATOM 0 H GLN A 39 -2.031 -2.227 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.392 -0.281 -5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.448 -2.815 -4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.375 -1.835 -5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.596 -2.743 -6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.925 -3.881 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.661 -4.062 -8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.919 -2.760 -9.765 1.00 0.00 H new ATOM 513 N ALA A 40 -4.245 -0.389 -2.771 1.00 0.00 N ATOM 514 CA ALA A 40 -4.952 0.321 -1.719 1.00 0.00 C ATOM 515 C ALA A 40 -4.342 1.714 -1.551 1.00 0.00 C ATOM 516 O ALA A 40 -5.051 2.718 -1.617 1.00 0.00 O ATOM 517 CB ALA A 40 -4.902 -0.497 -0.427 1.00 0.00 C ATOM 0 H ALA A 40 -3.651 -1.152 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.002 0.450 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.433 0.036 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.374 -1.466 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.864 -0.645 -0.130 1.00 0.00 H new ATOM 523 N LEU A 41 -3.035 1.731 -1.336 1.00 0.00 N ATOM 524 CA LEU A 41 -2.321 2.984 -1.158 1.00 0.00 C ATOM 525 C LEU A 41 -2.754 3.971 -2.244 1.00 0.00 C ATOM 526 O LEU A 41 -3.237 5.061 -1.940 1.00 0.00 O ATOM 527 CB LEU A 41 -0.812 2.739 -1.115 1.00 0.00 C ATOM 528 CG LEU A 41 -0.260 2.177 0.197 1.00 0.00 C ATOM 529 CD1 LEU A 41 1.079 1.473 -0.030 1.00 0.00 C ATOM 530 CD2 LEU A 41 -0.161 3.271 1.262 1.00 0.00 C ATOM 0 H LEU A 41 -2.451 0.896 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.574 3.434 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.553 2.051 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.305 3.681 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.958 1.428 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.450 1.083 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.943 0.651 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.799 2.183 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.234 2.846 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.504 4.060 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.151 3.687 1.449 1.00 0.00 H new ATOM 541 N ILE A 42 -2.566 3.554 -3.487 1.00 0.00 N ATOM 542 CA ILE A 42 -2.931 4.388 -4.619 1.00 0.00 C ATOM 543 C ILE A 42 -4.373 4.871 -4.448 1.00 0.00 C ATOM 544 O ILE A 42 -4.667 6.045 -4.665 1.00 0.00 O ATOM 545 CB ILE A 42 -2.684 3.645 -5.934 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.186 3.488 -6.201 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.405 4.331 -7.096 1.00 0.00 C ATOM 548 CD1 ILE A 42 -0.933 2.491 -7.335 1.00 0.00 C ATOM 0 H ILE A 42 -2.166 2.649 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.299 5.275 -4.657 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.102 2.642 -5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.756 4.455 -6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.685 3.148 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.213 3.783 -8.018 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.477 4.347 -6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.040 5.353 -7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.140 2.398 -7.505 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.343 1.519 -7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.415 2.846 -8.246 1.00 0.00 H new ATOM 559 N ALA A 43 -5.233 3.941 -4.059 1.00 0.00 N ATOM 560 CA ALA A 43 -6.636 4.257 -3.857 1.00 0.00 C ATOM 561 C ALA A 43 -6.764 5.291 -2.735 1.00 0.00 C ATOM 562 O ALA A 43 -7.746 6.030 -2.677 1.00 0.00 O ATOM 563 CB ALA A 43 -7.411 2.973 -3.556 1.00 0.00 C ATOM 0 H ALA A 43 -4.985 2.968 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.065 4.693 -4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.464 3.211 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.312 2.283 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.010 2.509 -2.655 1.00 0.00 H new ATOM 569 N THR A 44 -5.758 5.309 -1.873 1.00 0.00 N ATOM 570 CA THR A 44 -5.746 6.241 -0.758 1.00 0.00 C ATOM 571 C THR A 44 -4.667 7.305 -0.963 1.00 0.00 C ATOM 572 O THR A 44 -4.266 7.979 -0.015 1.00 0.00 O ATOM 573 CB THR A 44 -5.568 5.433 0.529 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.301 4.799 0.369 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.556 4.269 0.633 1.00 0.00 C ATOM 0 H THR A 44 -4.946 4.694 -1.924 1.00 0.00 H new ATOM 0 HA THR A 44 -6.686 6.788 -0.689 1.00 0.00 H new ATOM 0 HB THR A 44 -5.691 6.091 1.389 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.844 5.175 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.386 3.729 1.565 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.575 4.655 0.618 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.412 3.593 -0.210 1.00 0.00 H new ATOM 583 N ASP A 45 -4.225 7.422 -2.206 1.00 0.00 N ATOM 584 CA ASP A 45 -3.199 8.393 -2.548 1.00 0.00 C ATOM 585 C ASP A 45 -2.131 8.406 -1.453 1.00 0.00 C ATOM 586 O ASP A 45 -1.658 9.470 -1.056 1.00 0.00 O ATOM 587 CB ASP A 45 -3.787 9.802 -2.652 1.00 0.00 C ATOM 588 CG ASP A 45 -2.924 10.808 -3.417 1.00 0.00 C ATOM 589 OD1 ASP A 45 -1.768 10.445 -3.725 1.00 0.00 O ATOM 590 OD2 ASP A 45 -3.440 11.916 -3.676 1.00 0.00 O ATOM 0 H ASP A 45 -4.559 6.860 -2.989 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.772 8.109 -3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.761 9.738 -3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.957 10.184 -1.645 1.00 0.00 H new ATOM 594 N GLY A 46 -1.782 7.212 -0.997 1.00 0.00 N ATOM 595 CA GLY A 46 -0.779 7.073 0.045 1.00 0.00 C ATOM 596 C GLY A 46 -1.395 7.271 1.431 1.00 0.00 C ATOM 597 O GLY A 46 -1.464 8.394 1.928 1.00 0.00 O ATOM 0 H GLY A 46 -2.176 6.332 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.322 6.086 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.016 7.803 -0.111 1.00 0.00 H new ATOM 601 N ASP A 47 -1.828 6.164 2.015 1.00 0.00 N ATOM 602 CA ASP A 47 -2.436 6.201 3.333 1.00 0.00 C ATOM 603 C ASP A 47 -2.512 4.780 3.897 1.00 0.00 C ATOM 604 O ASP A 47 -3.264 3.948 3.392 1.00 0.00 O ATOM 605 CB ASP A 47 -3.859 6.760 3.268 1.00 0.00 C ATOM 606 CG ASP A 47 -4.318 7.510 4.520 1.00 0.00 C ATOM 607 OD1 ASP A 47 -4.700 6.818 5.488 1.00 0.00 O ATOM 608 OD2 ASP A 47 -4.276 8.759 4.480 1.00 0.00 O ATOM 0 H ASP A 47 -1.770 5.235 1.599 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.824 6.843 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.930 7.433 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.549 5.936 3.083 1.00 0.00 H new ATOM 612 N THR A 48 -1.722 4.546 4.935 1.00 0.00 N ATOM 613 CA THR A 48 -1.690 3.242 5.572 1.00 0.00 C ATOM 614 C THR A 48 -3.007 2.973 6.303 1.00 0.00 C ATOM 615 O THR A 48 -3.628 1.929 6.107 1.00 0.00 O ATOM 616 CB THR A 48 -0.465 3.192 6.487 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.477 4.453 7.152 1.00 0.00 O ATOM 618 CG2 THR A 48 0.851 3.195 5.706 1.00 0.00 C ATOM 0 H THR A 48 -1.099 5.239 5.350 1.00 0.00 H new ATOM 0 HA THR A 48 -1.595 2.444 4.835 1.00 0.00 H new ATOM 0 HB THR A 48 -0.514 2.299 7.111 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.284 4.506 7.767 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.688 3.159 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.887 2.325 5.050 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.917 4.104 5.107 1.00 0.00 H new ATOM 626 N ASN A 49 -3.393 3.931 7.131 1.00 0.00 N ATOM 627 CA ASN A 49 -4.625 3.811 7.893 1.00 0.00 C ATOM 628 C ASN A 49 -5.738 3.300 6.977 1.00 0.00 C ATOM 629 O ASN A 49 -6.243 2.194 7.165 1.00 0.00 O ATOM 630 CB ASN A 49 -5.060 5.166 8.454 1.00 0.00 C ATOM 631 CG ASN A 49 -5.910 4.991 9.713 1.00 0.00 C ATOM 632 OD1 ASN A 49 -7.092 5.289 9.743 1.00 0.00 O ATOM 633 ND2 ASN A 49 -5.242 4.491 10.750 1.00 0.00 N ATOM 0 H ASN A 49 -2.875 4.795 7.292 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.446 3.120 8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.181 5.767 8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.629 5.710 7.700 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.720 4.336 11.638 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.252 4.263 10.657 1.00 0.00 H new ATOM 639 N ALA A 50 -6.088 4.128 6.004 1.00 0.00 N ATOM 640 CA ALA A 50 -7.132 3.774 5.058 1.00 0.00 C ATOM 641 C ALA A 50 -6.809 2.413 4.434 1.00 0.00 C ATOM 642 O ALA A 50 -7.658 1.525 4.399 1.00 0.00 O ATOM 643 CB ALA A 50 -7.269 4.879 4.009 1.00 0.00 C ATOM 0 H ALA A 50 -5.667 5.044 5.850 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.093 3.685 5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.053 4.612 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.528 5.817 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.324 4.996 3.478 1.00 0.00 H new ATOM 649 N ALA A 51 -5.578 2.296 3.956 1.00 0.00 N ATOM 650 CA ALA A 51 -5.133 1.060 3.335 1.00 0.00 C ATOM 651 C ALA A 51 -5.504 -0.120 4.235 1.00 0.00 C ATOM 652 O ALA A 51 -6.156 -1.064 3.789 1.00 0.00 O ATOM 653 CB ALA A 51 -3.628 1.138 3.067 1.00 0.00 C ATOM 0 H ALA A 51 -4.876 3.036 3.986 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.629 0.911 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.293 0.211 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.420 1.975 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.098 1.283 4.008 1.00 0.00 H new ATOM 659 N ILE A 52 -5.074 -0.030 5.485 1.00 0.00 N ATOM 660 CA ILE A 52 -5.353 -1.079 6.450 1.00 0.00 C ATOM 661 C ILE A 52 -6.865 -1.286 6.549 1.00 0.00 C ATOM 662 O ILE A 52 -7.363 -2.384 6.300 1.00 0.00 O ATOM 663 CB ILE A 52 -4.687 -0.763 7.792 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.165 -0.700 7.647 1.00 0.00 C ATOM 665 CG2 ILE A 52 -5.120 -1.763 8.867 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.599 0.538 8.345 1.00 0.00 C ATOM 0 H ILE A 52 -4.534 0.754 5.852 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.922 -2.024 6.120 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.020 0.223 8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.718 -1.598 8.073 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.897 -0.681 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.633 -1.517 9.811 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.202 -1.715 8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.834 -2.770 8.563 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.516 0.559 8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.030 1.435 7.900 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.848 0.503 9.406 1.00 0.00 H new ATOM 677 N TYR A 53 -7.555 -0.214 6.910 1.00 0.00 N ATOM 678 CA TYR A 53 -9.001 -0.265 7.044 1.00 0.00 C ATOM 679 C TYR A 53 -9.641 -0.941 5.829 1.00 0.00 C ATOM 680 O TYR A 53 -10.513 -1.795 5.978 1.00 0.00 O ATOM 681 CB TYR A 53 -9.470 1.189 7.109 1.00 0.00 C ATOM 682 CG TYR A 53 -10.990 1.356 7.059 1.00 0.00 C ATOM 683 CD1 TYR A 53 -11.764 0.961 8.132 1.00 0.00 C ATOM 684 CD2 TYR A 53 -11.588 1.902 5.941 1.00 0.00 C ATOM 685 CE1 TYR A 53 -13.194 1.118 8.084 1.00 0.00 C ATOM 686 CE2 TYR A 53 -13.018 2.059 5.894 1.00 0.00 C ATOM 687 CZ TYR A 53 -13.751 1.659 6.968 1.00 0.00 C ATOM 688 OH TYR A 53 -15.102 1.808 6.922 1.00 0.00 O ATOM 0 H TYR A 53 -7.140 0.695 7.114 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.284 -0.836 7.928 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.095 1.640 8.028 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.027 1.740 6.280 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.297 0.534 9.007 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.983 2.211 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.811 0.813 8.916 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.498 2.485 5.025 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.358 2.208 6.065 1.00 0.00 H new ATOM 697 N LYS A 54 -9.182 -0.533 4.656 1.00 0.00 N ATOM 698 CA LYS A 54 -9.697 -1.089 3.416 1.00 0.00 C ATOM 699 C LYS A 54 -9.376 -2.583 3.359 1.00 0.00 C ATOM 700 O LYS A 54 -10.275 -3.411 3.227 1.00 0.00 O ATOM 701 CB LYS A 54 -9.172 -0.299 2.215 1.00 0.00 C ATOM 702 CG LYS A 54 -10.129 0.835 1.843 1.00 0.00 C ATOM 703 CD LYS A 54 -9.368 2.021 1.248 1.00 0.00 C ATOM 704 CE LYS A 54 -10.237 2.781 0.242 1.00 0.00 C ATOM 705 NZ LYS A 54 -11.471 3.275 0.893 1.00 0.00 N ATOM 0 H LYS A 54 -8.459 0.176 4.537 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.782 -0.995 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.189 0.111 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.046 -0.967 1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.865 0.474 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.678 1.157 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.056 2.695 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.462 1.667 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.676 3.619 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.495 2.128 -0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.939 3.966 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.114 2.477 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.229 3.730 1.796 1.00 0.00 H new ATOM 715 N LEU A 55 -8.089 -2.882 3.459 1.00 0.00 N ATOM 716 CA LEU A 55 -7.637 -4.263 3.421 1.00 0.00 C ATOM 717 C LEU A 55 -8.478 -5.098 4.389 1.00 0.00 C ATOM 718 O LEU A 55 -9.141 -6.049 3.978 1.00 0.00 O ATOM 719 CB LEU A 55 -6.132 -4.342 3.687 1.00 0.00 C ATOM 720 CG LEU A 55 -5.231 -3.665 2.652 1.00 0.00 C ATOM 721 CD1 LEU A 55 -3.841 -3.393 3.230 1.00 0.00 C ATOM 722 CD2 LEU A 55 -5.166 -4.484 1.362 1.00 0.00 C ATOM 0 H LEU A 55 -7.345 -2.192 3.566 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.784 -4.684 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.932 -3.896 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.850 -5.393 3.753 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.668 -2.699 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.221 -2.912 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.929 -2.739 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.381 -4.334 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.519 -3.980 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.765 -5.474 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.167 -4.582 0.942 1.00 0.00 H new ATOM 733 N LYS A 56 -8.421 -4.713 5.656 1.00 0.00 N ATOM 734 CA LYS A 56 -9.168 -5.414 6.685 1.00 0.00 C ATOM 735 C LYS A 56 -10.573 -5.726 6.165 1.00 0.00 C ATOM 736 O LYS A 56 -10.956 -6.891 6.063 1.00 0.00 O ATOM 737 CB LYS A 56 -9.159 -4.617 7.991 1.00 0.00 C ATOM 738 CG LYS A 56 -7.815 -4.755 8.709 1.00 0.00 C ATOM 739 CD LYS A 56 -8.006 -5.253 10.142 1.00 0.00 C ATOM 740 CE LYS A 56 -7.949 -4.092 11.138 1.00 0.00 C ATOM 741 NZ LYS A 56 -9.311 -3.724 11.584 1.00 0.00 N ATOM 0 H LYS A 56 -7.869 -3.924 5.992 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.694 -6.368 6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.357 -3.566 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.960 -4.968 8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.176 -5.448 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.304 -3.792 8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.965 -5.764 10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.233 -5.982 10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.342 -4.373 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.467 -3.231 10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.254 -2.935 12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.879 -3.436 10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.758 -4.542 12.045 1.00 0.00 H new ATOM 751 N SER A 57 -11.303 -4.666 5.851 1.00 0.00 N ATOM 752 CA SER A 57 -12.657 -4.813 5.345 1.00 0.00 C ATOM 753 C SER A 57 -12.685 -5.846 4.217 1.00 0.00 C ATOM 754 O SER A 57 -13.399 -6.844 4.303 1.00 0.00 O ATOM 755 CB SER A 57 -13.208 -3.474 4.852 1.00 0.00 C ATOM 756 OG SER A 57 -14.529 -3.232 5.327 1.00 0.00 O ATOM 0 H SER A 57 -10.982 -3.702 5.937 1.00 0.00 H new ATOM 0 HA SER A 57 -13.292 -5.159 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.551 -2.669 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.207 -3.461 3.762 1.00 0.00 H new ATOM 0 HG SER A 57 -14.844 -2.367 4.992 1.00 0.00 H new ATOM 761 N SER A 58 -11.899 -5.572 3.187 1.00 0.00 N ATOM 762 CA SER A 58 -11.825 -6.467 2.043 1.00 0.00 C ATOM 763 C SER A 58 -11.429 -7.872 2.503 1.00 0.00 C ATOM 764 O SER A 58 -10.666 -8.025 3.456 1.00 0.00 O ATOM 765 CB SER A 58 -10.830 -5.949 1.003 1.00 0.00 C ATOM 766 OG SER A 58 -11.284 -4.750 0.381 1.00 0.00 O ATOM 0 H SER A 58 -11.308 -4.744 3.120 1.00 0.00 H new ATOM 0 HA SER A 58 -12.809 -6.508 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.867 -5.767 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.669 -6.713 0.243 1.00 0.00 H new ATOM 0 HG SER A 58 -10.621 -4.450 -0.275 1.00 0.00 H new ATOM 771 N GLN A 59 -11.965 -8.861 1.804 1.00 0.00 N ATOM 772 CA GLN A 59 -11.678 -10.248 2.128 1.00 0.00 C ATOM 773 C GLN A 59 -11.321 -11.027 0.860 1.00 0.00 C ATOM 774 O GLN A 59 -11.783 -10.691 -0.229 1.00 0.00 O ATOM 775 CB GLN A 59 -12.857 -10.896 2.857 1.00 0.00 C ATOM 776 CG GLN A 59 -14.070 -11.020 1.933 1.00 0.00 C ATOM 777 CD GLN A 59 -15.343 -11.297 2.736 1.00 0.00 C ATOM 778 OE1 GLN A 59 -15.309 -11.610 3.915 1.00 0.00 O ATOM 779 NE2 GLN A 59 -16.464 -11.166 2.033 1.00 0.00 N ATOM 0 H GLN A 59 -12.597 -8.730 1.014 1.00 0.00 H new ATOM 0 HA GLN A 59 -10.820 -10.274 2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.568 -11.883 3.218 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.120 -10.301 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -14.190 -10.101 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -13.905 -11.824 1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -16.421 -10.901 1.049 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -17.367 -11.330 2.478 1.00 0.00 H new ATOM 786 N GLY A 60 -10.502 -12.052 1.045 1.00 0.00 N ATOM 787 CA GLY A 60 -10.078 -12.881 -0.071 1.00 0.00 C ATOM 788 C GLY A 60 -9.319 -14.114 0.419 1.00 0.00 C ATOM 789 O GLY A 60 -9.269 -14.381 1.620 1.00 0.00 O ATOM 0 H GLY A 60 -10.121 -12.327 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.948 -13.191 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.442 -12.300 -0.739 1.00 0.00 H new ATOM 793 N PHE A 61 -8.745 -14.835 -0.533 1.00 0.00 N ATOM 794 CA PHE A 61 -7.990 -16.035 -0.212 1.00 0.00 C ATOM 795 C PHE A 61 -8.837 -17.014 0.604 1.00 0.00 C ATOM 796 O PHE A 61 -9.920 -16.664 1.070 1.00 0.00 O ATOM 797 CB PHE A 61 -6.789 -15.595 0.627 1.00 0.00 C ATOM 798 CG PHE A 61 -5.543 -15.262 -0.196 1.00 0.00 C ATOM 799 CD1 PHE A 61 -5.536 -14.170 -1.005 1.00 0.00 C ATOM 800 CD2 PHE A 61 -4.443 -16.058 -0.117 1.00 0.00 C ATOM 801 CE1 PHE A 61 -4.379 -13.859 -1.769 1.00 0.00 C ATOM 802 CE2 PHE A 61 -3.287 -15.749 -0.881 1.00 0.00 C ATOM 803 CZ PHE A 61 -3.279 -14.656 -1.691 1.00 0.00 C ATOM 0 H PHE A 61 -8.787 -14.611 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.684 -16.539 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.069 -14.720 1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.543 -16.387 1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.410 -13.539 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.449 -16.925 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.373 -12.991 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.414 -16.382 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.400 -14.421 -2.272 1.00 0.00 H new ATOM 812 N SER A 62 -8.312 -18.221 0.750 1.00 0.00 N ATOM 813 CA SER A 62 -9.005 -19.253 1.501 1.00 0.00 C ATOM 814 C SER A 62 -8.070 -19.856 2.550 1.00 0.00 C ATOM 815 O SER A 62 -7.305 -20.772 2.251 1.00 0.00 O ATOM 816 CB SER A 62 -9.537 -20.347 0.572 1.00 0.00 C ATOM 817 OG SER A 62 -10.189 -21.389 1.293 1.00 0.00 O ATOM 0 H SER A 62 -7.414 -18.508 0.361 1.00 0.00 H new ATOM 0 HA SER A 62 -9.857 -18.795 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.234 -19.909 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.712 -20.766 -0.004 1.00 0.00 H new ATOM 0 HG SER A 62 -10.516 -22.067 0.665 1.00 0.00 H new ATOM 822 N GLY A 63 -8.161 -19.317 3.757 1.00 0.00 N ATOM 823 CA GLY A 63 -7.331 -19.792 4.852 1.00 0.00 C ATOM 824 C GLY A 63 -8.186 -20.411 5.960 1.00 0.00 C ATOM 825 O GLY A 63 -8.721 -19.699 6.808 1.00 0.00 O ATOM 0 H GLY A 63 -8.796 -18.557 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.621 -20.530 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.748 -18.965 5.257 1.00 0.00 H new ATOM 829 N PRO A 64 -8.291 -21.765 5.914 1.00 0.00 N ATOM 830 CA PRO A 64 -9.072 -22.490 6.903 1.00 0.00 C ATOM 831 C PRO A 64 -8.334 -22.557 8.242 1.00 0.00 C ATOM 832 O PRO A 64 -7.398 -23.339 8.400 1.00 0.00 O ATOM 833 CB PRO A 64 -9.313 -23.859 6.288 1.00 0.00 C ATOM 834 CG PRO A 64 -8.274 -24.012 5.190 1.00 0.00 C ATOM 835 CD PRO A 64 -7.672 -22.642 4.924 1.00 0.00 C ATOM 0 HA PRO A 64 -10.018 -22.000 7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.210 -24.646 7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.322 -23.933 5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.500 -24.717 5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.731 -24.410 4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.588 -22.658 5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.885 -22.306 3.909 1.00 0.00 H new ATOM 840 N SER A 65 -8.784 -21.727 9.171 1.00 0.00 N ATOM 841 CA SER A 65 -8.179 -21.683 10.492 1.00 0.00 C ATOM 842 C SER A 65 -8.919 -20.675 11.373 1.00 0.00 C ATOM 843 O SER A 65 -8.633 -19.480 11.330 1.00 0.00 O ATOM 844 CB SER A 65 -6.695 -21.322 10.405 1.00 0.00 C ATOM 845 OG SER A 65 -6.473 -20.158 9.614 1.00 0.00 O ATOM 0 H SER A 65 -9.560 -21.079 9.036 1.00 0.00 H new ATOM 0 HA SER A 65 -8.259 -22.674 10.939 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.303 -21.158 11.409 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.143 -22.160 9.980 1.00 0.00 H new ATOM 0 HG SER A 65 -7.101 -19.455 9.882 1.00 0.00 H new ATOM 850 N SER A 66 -9.856 -21.195 12.152 1.00 0.00 N ATOM 851 CA SER A 66 -10.639 -20.356 13.043 1.00 0.00 C ATOM 852 C SER A 66 -9.737 -19.750 14.120 1.00 0.00 C ATOM 853 O SER A 66 -9.143 -20.475 14.916 1.00 0.00 O ATOM 854 CB SER A 66 -11.777 -21.149 13.689 1.00 0.00 C ATOM 855 OG SER A 66 -11.342 -21.866 14.839 1.00 0.00 O ATOM 0 H SER A 66 -10.091 -22.187 12.185 1.00 0.00 H new ATOM 0 HA SER A 66 -11.081 -19.552 12.454 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.580 -20.467 13.969 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.191 -21.847 12.961 1.00 0.00 H new ATOM 0 HG SER A 66 -10.381 -21.723 14.970 1.00 0.00 H new ATOM 860 N GLY A 67 -9.664 -18.428 14.110 1.00 0.00 N ATOM 861 CA GLY A 67 -8.843 -17.716 15.077 1.00 0.00 C ATOM 862 C GLY A 67 -9.704 -17.117 16.190 1.00 0.00 C ATOM 863 O GLY A 67 -9.988 -17.780 17.185 1.00 0.00 O ATOM 0 H GLY A 67 -10.159 -17.830 13.448 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.108 -18.397 15.507 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.288 -16.923 14.575 1.00 0.00 H new TER 867 GLY A 67