USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 367 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 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 27 GLN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 32 THR OG1 : rot -72:sc= 1.21 USER MOD Single : A 35 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.06) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.99 X(o=-2,f=-1.8!) USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= 0.21 (180deg=-0.269) USER MOD Single : A 47 SER OG : rot 85:sc= 0.36 USER MOD Single : A 48 ASN : amide:sc= -0.0638 X(o=-0.064,f=-0.21) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.16) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -78:sc= 0.664 USER MOD Single : A 103 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.9) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N MET A 23 1.026 -2.217 -1.730 1.00 0.00 N ATOM 19 CA MET A 23 0.293 -3.213 -2.556 1.00 0.00 C ATOM 20 C MET A 23 -0.526 -2.558 -3.689 1.00 0.00 C ATOM 21 O MET A 23 -0.508 -3.052 -4.815 1.00 0.00 O ATOM 22 CB MET A 23 -0.631 -4.090 -1.664 1.00 0.00 C ATOM 23 CG MET A 23 -1.474 -5.129 -2.432 1.00 0.00 C ATOM 24 SD MET A 23 -2.545 -6.112 -1.361 1.00 0.00 S ATOM 25 CE MET A 23 -3.505 -7.041 -2.566 1.00 0.00 C ATOM 0 HA MET A 23 1.046 -3.845 -3.027 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.016 -4.612 -0.931 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.303 -3.436 -1.108 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.086 -4.614 -3.173 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.807 -5.796 -2.978 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.209 -7.691 -2.047 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.053 -6.349 -3.205 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.835 -7.646 -3.177 1.00 0.00 H new ATOM 35 N LEU A 24 -1.239 -1.451 -3.380 1.00 0.00 N ATOM 36 CA LEU A 24 -2.066 -0.730 -4.383 1.00 0.00 C ATOM 37 C LEU A 24 -1.211 -0.169 -5.542 1.00 0.00 C ATOM 38 O LEU A 24 -1.644 -0.213 -6.691 1.00 0.00 O ATOM 39 CB LEU A 24 -2.931 0.405 -3.741 1.00 0.00 C ATOM 40 CG LEU A 24 -2.183 1.643 -3.129 1.00 0.00 C ATOM 41 CD1 LEU A 24 -3.136 2.844 -2.952 1.00 0.00 C ATOM 42 CD2 LEU A 24 -1.482 1.302 -1.789 1.00 0.00 C ATOM 0 H LEU A 24 -1.260 -1.036 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.750 -1.472 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.618 0.773 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.538 -0.042 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.407 1.921 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.587 3.684 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.544 3.131 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.951 2.567 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.979 2.190 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.224 0.965 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.749 0.512 -1.952 1.00 0.00 H new ATOM 54 N LEU A 25 0.008 0.337 -5.231 1.00 0.00 N ATOM 55 CA LEU A 25 0.951 0.844 -6.265 1.00 0.00 C ATOM 56 C LEU A 25 1.409 -0.309 -7.158 1.00 0.00 C ATOM 57 O LEU A 25 1.404 -0.196 -8.377 1.00 0.00 O ATOM 58 CB LEU A 25 2.219 1.537 -5.657 1.00 0.00 C ATOM 59 CG LEU A 25 2.035 2.929 -4.961 1.00 0.00 C ATOM 60 CD1 LEU A 25 1.343 3.951 -5.886 1.00 0.00 C ATOM 61 CD2 LEU A 25 1.314 2.812 -3.608 1.00 0.00 C ATOM 0 H LEU A 25 0.362 0.406 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 25 0.405 1.594 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.655 0.854 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.949 1.658 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 25 3.037 3.307 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.236 4.901 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.945 4.096 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.358 3.579 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.210 3.802 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.326 2.376 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.894 2.175 -2.941 1.00 0.00 H new ATOM 73 N ASN A 26 1.777 -1.423 -6.506 1.00 0.00 N ATOM 74 CA ASN A 26 2.361 -2.606 -7.167 1.00 0.00 C ATOM 75 C ASN A 26 1.354 -3.250 -8.128 1.00 0.00 C ATOM 76 O ASN A 26 1.666 -3.510 -9.296 1.00 0.00 O ATOM 77 CB ASN A 26 2.805 -3.650 -6.103 1.00 0.00 C ATOM 78 CG ASN A 26 3.788 -3.106 -5.062 1.00 0.00 C ATOM 79 OD1 ASN A 26 4.533 -2.157 -5.315 1.00 0.00 O ATOM 80 ND2 ASN A 26 3.809 -3.708 -3.875 1.00 0.00 N ATOM 0 H ASN A 26 1.678 -1.531 -5.497 1.00 0.00 H new ATOM 0 HA ASN A 26 3.229 -2.278 -7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.921 -4.027 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.264 -4.498 -6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.451 -3.386 -3.151 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.183 -4.491 -3.689 1.00 0.00 H new ATOM 87 N GLN A 27 0.147 -3.484 -7.603 1.00 0.00 N ATOM 88 CA GLN A 27 -0.957 -4.138 -8.315 1.00 0.00 C ATOM 89 C GLN A 27 -1.488 -3.276 -9.474 1.00 0.00 C ATOM 90 O GLN A 27 -1.676 -3.775 -10.591 1.00 0.00 O ATOM 91 CB GLN A 27 -2.096 -4.472 -7.300 1.00 0.00 C ATOM 92 CG GLN A 27 -1.970 -5.844 -6.586 1.00 0.00 C ATOM 93 CD GLN A 27 -2.659 -7.009 -7.329 1.00 0.00 C ATOM 94 OE1 GLN A 27 -3.100 -7.968 -6.702 1.00 0.00 O ATOM 95 NE2 GLN A 27 -2.794 -6.932 -8.654 1.00 0.00 N ATOM 0 H GLN A 27 -0.096 -3.218 -6.649 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.582 -5.060 -8.760 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.126 -3.689 -6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.050 -4.442 -7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.913 -6.081 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.397 -5.762 -5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.421 -6.128 -9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.270 -7.677 -9.162 1.00 0.00 H new ATOM 104 N LEU A 28 -1.724 -1.983 -9.194 1.00 0.00 N ATOM 105 CA LEU A 28 -2.291 -1.056 -10.180 1.00 0.00 C ATOM 106 C LEU A 28 -1.277 -0.798 -11.313 1.00 0.00 C ATOM 107 O LEU A 28 -1.663 -0.739 -12.481 1.00 0.00 O ATOM 108 CB LEU A 28 -2.771 0.241 -9.472 1.00 0.00 C ATOM 109 CG LEU A 28 -3.755 1.185 -10.252 1.00 0.00 C ATOM 110 CD1 LEU A 28 -3.041 2.126 -11.217 1.00 0.00 C ATOM 111 CD2 LEU A 28 -4.880 0.393 -10.964 1.00 0.00 C ATOM 0 H LEU A 28 -1.529 -1.558 -8.288 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.169 -1.499 -10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.254 -0.047 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.888 0.823 -9.208 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.223 1.814 -9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.775 2.752 -11.725 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.347 2.758 -10.663 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.490 1.542 -11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.536 1.086 -11.490 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.439 -0.303 -11.678 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.457 -0.163 -10.225 1.00 0.00 H new ATOM 123 N ARG A 29 0.025 -0.700 -10.968 1.00 0.00 N ATOM 124 CA ARG A 29 1.122 -0.606 -11.960 1.00 0.00 C ATOM 125 C ARG A 29 1.233 -1.904 -12.783 1.00 0.00 C ATOM 126 O ARG A 29 1.547 -1.866 -13.973 1.00 0.00 O ATOM 127 CB ARG A 29 2.481 -0.315 -11.264 1.00 0.00 C ATOM 128 CG ARG A 29 3.712 -0.367 -12.199 1.00 0.00 C ATOM 129 CD ARG A 29 5.015 -0.034 -11.477 1.00 0.00 C ATOM 130 NE ARG A 29 5.033 1.353 -10.982 1.00 0.00 N ATOM 131 CZ ARG A 29 6.038 1.907 -10.294 1.00 0.00 C ATOM 132 NH1 ARG A 29 7.129 1.206 -9.988 1.00 0.00 N ATOM 133 NH2 ARG A 29 5.948 3.161 -9.910 1.00 0.00 N ATOM 0 H ARG A 29 0.346 -0.684 -10.000 1.00 0.00 H new ATOM 0 HA ARG A 29 0.885 0.220 -12.630 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.433 0.672 -10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.623 -1.036 -10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.788 -1.362 -12.637 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.568 0.333 -13.022 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.151 -0.719 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.855 -0.188 -12.155 1.00 0.00 H new ATOM 0 HE ARG A 29 4.218 1.935 -11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.207 0.232 -10.279 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.886 1.644 -9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.116 3.705 -10.137 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.710 3.590 -9.385 1.00 0.00 H new ATOM 147 N GLU A 30 0.975 -3.048 -12.122 1.00 0.00 N ATOM 148 CA GLU A 30 1.042 -4.378 -12.763 1.00 0.00 C ATOM 149 C GLU A 30 0.005 -4.487 -13.889 1.00 0.00 C ATOM 150 O GLU A 30 0.291 -5.041 -14.955 1.00 0.00 O ATOM 151 CB GLU A 30 0.821 -5.503 -11.703 1.00 0.00 C ATOM 152 CG GLU A 30 1.155 -6.931 -12.190 1.00 0.00 C ATOM 153 CD GLU A 30 2.651 -7.113 -12.513 1.00 0.00 C ATOM 154 OE1 GLU A 30 3.454 -7.301 -11.571 1.00 0.00 O ATOM 155 OE2 GLU A 30 3.038 -7.052 -13.705 1.00 0.00 O ATOM 0 H GLU A 30 0.716 -3.079 -11.136 1.00 0.00 H new ATOM 0 HA GLU A 30 2.033 -4.503 -13.198 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.431 -5.282 -10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.220 -5.479 -11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.863 -7.650 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.565 -7.155 -13.079 1.00 0.00 H new ATOM 162 N ILE A 31 -1.190 -3.918 -13.647 1.00 0.00 N ATOM 163 CA ILE A 31 -2.334 -4.011 -14.582 1.00 0.00 C ATOM 164 C ILE A 31 -2.469 -2.779 -15.521 1.00 0.00 C ATOM 165 O ILE A 31 -3.215 -2.856 -16.501 1.00 0.00 O ATOM 166 CB ILE A 31 -3.672 -4.270 -13.790 1.00 0.00 C ATOM 167 CG1 ILE A 31 -3.990 -3.097 -12.805 1.00 0.00 C ATOM 168 CG2 ILE A 31 -3.597 -5.629 -13.035 1.00 0.00 C ATOM 169 CD1 ILE A 31 -5.193 -3.322 -11.902 1.00 0.00 C ATOM 0 H ILE A 31 -1.393 -3.383 -12.803 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.134 -4.861 -15.234 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.488 -4.318 -14.511 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.114 -2.920 -12.180 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.156 -2.190 -13.386 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.527 -5.795 -12.492 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.446 -6.436 -13.752 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.765 -5.609 -12.331 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.331 -2.454 -11.257 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.084 -3.466 -12.513 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.027 -4.207 -11.288 1.00 0.00 H new ATOM 181 N THR A 32 -1.764 -1.647 -15.234 1.00 0.00 N ATOM 182 CA THR A 32 -1.736 -0.466 -16.158 1.00 0.00 C ATOM 183 C THR A 32 -0.416 -0.419 -16.949 1.00 0.00 C ATOM 184 O THR A 32 -0.415 -0.322 -18.183 1.00 0.00 O ATOM 185 CB THR A 32 -1.916 0.909 -15.404 1.00 0.00 C ATOM 186 OG1 THR A 32 -0.881 1.078 -14.414 1.00 0.00 O ATOM 187 CG2 THR A 32 -3.294 1.038 -14.742 1.00 0.00 C ATOM 0 H THR A 32 -1.214 -1.524 -14.384 1.00 0.00 H new ATOM 0 HA THR A 32 -2.581 -0.599 -16.834 1.00 0.00 H new ATOM 0 HB THR A 32 -1.838 1.695 -16.155 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.040 0.465 -13.666 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.366 2.001 -14.237 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.071 0.968 -15.503 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.425 0.237 -14.015 1.00 0.00 H new ATOM 195 N GLY A 33 0.694 -0.495 -16.209 1.00 0.00 N ATOM 196 CA GLY A 33 2.051 -0.380 -16.764 1.00 0.00 C ATOM 197 C GLY A 33 2.678 0.977 -16.484 1.00 0.00 C ATOM 198 O GLY A 33 3.768 1.278 -16.989 1.00 0.00 O ATOM 0 H GLY A 33 0.679 -0.639 -15.199 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.681 -1.163 -16.341 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.016 -0.546 -17.841 1.00 0.00 H new ATOM 202 N ILE A 34 1.988 1.796 -15.663 1.00 0.00 N ATOM 203 CA ILE A 34 2.404 3.177 -15.373 1.00 0.00 C ATOM 204 C ILE A 34 3.399 3.216 -14.193 1.00 0.00 C ATOM 205 O ILE A 34 3.106 2.734 -13.090 1.00 0.00 O ATOM 206 CB ILE A 34 1.158 4.095 -15.093 1.00 0.00 C ATOM 207 CG1 ILE A 34 0.212 4.090 -16.341 1.00 0.00 C ATOM 208 CG2 ILE A 34 1.578 5.542 -14.704 1.00 0.00 C ATOM 209 CD1 ILE A 34 -1.032 4.942 -16.207 1.00 0.00 C ATOM 0 H ILE A 34 1.131 1.517 -15.186 1.00 0.00 H new ATOM 0 HA ILE A 34 2.913 3.567 -16.254 1.00 0.00 H new ATOM 0 HB ILE A 34 0.617 3.690 -14.237 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.777 4.433 -17.207 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.090 3.063 -16.544 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.687 6.142 -14.519 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.190 5.513 -13.802 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.152 5.985 -15.518 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.621 4.872 -17.122 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.626 4.588 -15.365 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.746 5.980 -16.038 1.00 0.00 H new ATOM 221 N GLN A 35 4.584 3.799 -14.457 1.00 0.00 N ATOM 222 CA GLN A 35 5.687 3.907 -13.480 1.00 0.00 C ATOM 223 C GLN A 35 5.580 5.189 -12.630 1.00 0.00 C ATOM 224 O GLN A 35 6.298 5.326 -11.633 1.00 0.00 O ATOM 225 CB GLN A 35 7.048 3.850 -14.221 1.00 0.00 C ATOM 226 CG GLN A 35 7.287 2.542 -15.005 1.00 0.00 C ATOM 227 CD GLN A 35 7.387 1.288 -14.127 1.00 0.00 C ATOM 228 OE1 GLN A 35 6.962 0.205 -14.524 1.00 0.00 O ATOM 229 NE2 GLN A 35 7.996 1.401 -12.952 1.00 0.00 N ATOM 0 H GLN A 35 4.806 4.212 -15.363 1.00 0.00 H new ATOM 0 HA GLN A 35 5.615 3.064 -12.793 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.108 4.691 -14.912 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.850 3.977 -13.494 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.475 2.407 -15.719 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.206 2.641 -15.582 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.341 2.309 -12.642 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.119 0.579 -12.360 1.00 0.00 H new ATOM 238 N ASP A 36 4.693 6.117 -13.032 1.00 0.00 N ATOM 239 CA ASP A 36 4.415 7.357 -12.274 1.00 0.00 C ATOM 240 C ASP A 36 3.652 7.015 -10.981 1.00 0.00 C ATOM 241 O ASP A 36 2.491 6.600 -11.070 1.00 0.00 O ATOM 242 CB ASP A 36 3.579 8.354 -13.121 1.00 0.00 C ATOM 243 CG ASP A 36 4.261 8.752 -14.433 1.00 0.00 C ATOM 244 OD1 ASP A 36 4.250 7.942 -15.384 1.00 0.00 O ATOM 245 OD2 ASP A 36 4.819 9.871 -14.531 1.00 0.00 O ATOM 0 H ASP A 36 4.148 6.032 -13.890 1.00 0.00 H new ATOM 0 HA ASP A 36 5.367 7.827 -12.029 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.610 7.908 -13.344 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.389 9.251 -12.531 1.00 0.00 H new ATOM 250 N PRO A 37 4.278 7.183 -9.760 1.00 0.00 N ATOM 251 CA PRO A 37 3.637 6.821 -8.460 1.00 0.00 C ATOM 252 C PRO A 37 2.342 7.619 -8.205 1.00 0.00 C ATOM 253 O PRO A 37 1.359 7.076 -7.672 1.00 0.00 O ATOM 254 CB PRO A 37 4.734 7.154 -7.403 1.00 0.00 C ATOM 255 CG PRO A 37 5.625 8.154 -8.080 1.00 0.00 C ATOM 256 CD PRO A 37 5.645 7.750 -9.543 1.00 0.00 C ATOM 0 HA PRO A 37 3.323 5.778 -8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.296 7.566 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.289 6.262 -7.114 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.243 9.167 -7.957 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.628 8.138 -7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.835 8.604 -10.194 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.423 7.014 -9.747 1.00 0.00 H new ATOM 264 N SER A 38 2.348 8.911 -8.621 1.00 0.00 N ATOM 265 CA SER A 38 1.207 9.821 -8.438 1.00 0.00 C ATOM 266 C SER A 38 -0.014 9.312 -9.203 1.00 0.00 C ATOM 267 O SER A 38 -1.064 9.181 -8.605 1.00 0.00 O ATOM 268 CB SER A 38 1.560 11.260 -8.866 1.00 0.00 C ATOM 269 OG SER A 38 2.635 11.751 -8.088 1.00 0.00 O ATOM 0 H SER A 38 3.145 9.342 -9.090 1.00 0.00 H new ATOM 0 HA SER A 38 0.965 9.843 -7.375 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.828 11.278 -9.922 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.690 11.906 -8.747 1.00 0.00 H new ATOM 0 HG SER A 38 2.852 12.664 -8.369 1.00 0.00 H new ATOM 275 N PHE A 39 0.168 8.953 -10.506 1.00 0.00 N ATOM 276 CA PHE A 39 -0.918 8.442 -11.397 1.00 0.00 C ATOM 277 C PHE A 39 -1.671 7.257 -10.771 1.00 0.00 C ATOM 278 O PHE A 39 -2.903 7.175 -10.869 1.00 0.00 O ATOM 279 CB PHE A 39 -0.341 8.011 -12.781 1.00 0.00 C ATOM 280 CG PHE A 39 -0.120 9.158 -13.772 1.00 0.00 C ATOM 281 CD1 PHE A 39 0.565 10.322 -13.405 1.00 0.00 C ATOM 282 CD2 PHE A 39 -0.590 9.055 -15.083 1.00 0.00 C ATOM 283 CE1 PHE A 39 0.754 11.350 -14.312 1.00 0.00 C ATOM 284 CE2 PHE A 39 -0.399 10.082 -15.985 1.00 0.00 C ATOM 285 CZ PHE A 39 0.281 11.223 -15.605 1.00 0.00 C ATOM 0 H PHE A 39 1.074 9.010 -10.970 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.623 9.262 -11.532 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.609 7.501 -12.620 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.019 7.286 -13.232 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.951 10.419 -12.401 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.109 8.161 -15.395 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.270 12.250 -14.010 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.782 9.993 -16.991 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.443 12.017 -16.319 1.00 0.00 H new ATOM 295 N LEU A 40 -0.906 6.365 -10.129 1.00 0.00 N ATOM 296 CA LEU A 40 -1.444 5.162 -9.479 1.00 0.00 C ATOM 297 C LEU A 40 -2.333 5.568 -8.279 1.00 0.00 C ATOM 298 O LEU A 40 -3.479 5.113 -8.157 1.00 0.00 O ATOM 299 CB LEU A 40 -0.273 4.229 -9.038 1.00 0.00 C ATOM 300 CG LEU A 40 0.839 3.957 -10.112 1.00 0.00 C ATOM 301 CD1 LEU A 40 1.975 3.075 -9.551 1.00 0.00 C ATOM 302 CD2 LEU A 40 0.262 3.357 -11.419 1.00 0.00 C ATOM 0 H LEU A 40 0.106 6.457 -10.045 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.065 4.609 -10.184 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.200 4.665 -8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.695 3.272 -8.731 1.00 0.00 H new ATOM 0 HG LEU A 40 1.265 4.928 -10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.724 2.910 -10.326 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.437 3.575 -8.700 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.567 2.116 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.071 3.187 -12.130 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.231 2.411 -11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.460 4.051 -11.850 1.00 0.00 H new ATOM 314 N HIS A 41 -1.794 6.483 -7.439 1.00 0.00 N ATOM 315 CA HIS A 41 -2.523 7.067 -6.291 1.00 0.00 C ATOM 316 C HIS A 41 -3.784 7.842 -6.733 1.00 0.00 C ATOM 317 O HIS A 41 -4.825 7.720 -6.091 1.00 0.00 O ATOM 318 CB HIS A 41 -1.613 8.019 -5.459 1.00 0.00 C ATOM 319 CG HIS A 41 -0.589 7.342 -4.589 1.00 0.00 C ATOM 320 ND1 HIS A 41 -0.924 6.603 -3.477 1.00 0.00 N ATOM 321 CD2 HIS A 41 0.767 7.318 -4.646 1.00 0.00 C ATOM 322 CE1 HIS A 41 0.173 6.171 -2.889 1.00 0.00 C ATOM 323 NE2 HIS A 41 1.207 6.588 -3.580 1.00 0.00 N ATOM 0 H HIS A 41 -0.842 6.836 -7.539 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.829 6.224 -5.672 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.095 8.689 -6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -2.248 8.639 -4.827 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.384 7.790 -5.397 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.214 5.574 -1.990 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.184 6.397 -3.356 1.00 0.00 H new ATOM 332 N GLU A 42 -3.673 8.628 -7.827 1.00 0.00 N ATOM 333 CA GLU A 42 -4.739 9.521 -8.323 1.00 0.00 C ATOM 334 C GLU A 42 -5.903 8.706 -8.900 1.00 0.00 C ATOM 335 O GLU A 42 -7.060 9.122 -8.807 1.00 0.00 O ATOM 336 CB GLU A 42 -4.180 10.501 -9.406 1.00 0.00 C ATOM 337 CG GLU A 42 -3.078 11.478 -8.929 1.00 0.00 C ATOM 338 CD GLU A 42 -3.544 12.456 -7.840 1.00 0.00 C ATOM 339 OE1 GLU A 42 -4.037 13.551 -8.183 1.00 0.00 O ATOM 340 OE2 GLU A 42 -3.426 12.139 -6.629 1.00 0.00 O ATOM 0 H GLU A 42 -2.828 8.659 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.107 10.107 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.783 9.911 -10.232 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.010 11.086 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.234 10.902 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.716 12.048 -9.785 1.00 0.00 H new ATOM 347 N ALA A 43 -5.566 7.545 -9.494 1.00 0.00 N ATOM 348 CA ALA A 43 -6.550 6.585 -10.010 1.00 0.00 C ATOM 349 C ALA A 43 -7.339 5.944 -8.857 1.00 0.00 C ATOM 350 O ALA A 43 -8.570 5.885 -8.893 1.00 0.00 O ATOM 351 CB ALA A 43 -5.837 5.512 -10.840 1.00 0.00 C ATOM 0 H ALA A 43 -4.599 7.249 -9.628 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.259 7.113 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.570 4.801 -11.222 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.319 5.983 -11.675 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.115 4.988 -10.214 1.00 0.00 H new ATOM 357 N LEU A 44 -6.593 5.503 -7.817 1.00 0.00 N ATOM 358 CA LEU A 44 -7.162 4.891 -6.593 1.00 0.00 C ATOM 359 C LEU A 44 -8.021 5.929 -5.835 1.00 0.00 C ATOM 360 O LEU A 44 -9.055 5.598 -5.256 1.00 0.00 O ATOM 361 CB LEU A 44 -6.012 4.317 -5.682 1.00 0.00 C ATOM 362 CG LEU A 44 -5.580 2.825 -5.944 1.00 0.00 C ATOM 363 CD1 LEU A 44 -6.639 1.837 -5.421 1.00 0.00 C ATOM 364 CD2 LEU A 44 -5.289 2.569 -7.422 1.00 0.00 C ATOM 0 H LEU A 44 -5.575 5.562 -7.803 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.807 4.059 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.134 4.952 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.327 4.402 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.655 2.660 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.312 0.816 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.769 1.977 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.587 2.018 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.995 1.529 -7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.184 2.774 -8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.481 3.222 -7.752 1.00 0.00 H new ATOM 376 N LYS A 45 -7.577 7.194 -5.892 1.00 0.00 N ATOM 377 CA LYS A 45 -8.256 8.338 -5.265 1.00 0.00 C ATOM 378 C LYS A 45 -9.571 8.650 -6.007 1.00 0.00 C ATOM 379 O LYS A 45 -10.612 8.884 -5.378 1.00 0.00 O ATOM 380 CB LYS A 45 -7.263 9.550 -5.233 1.00 0.00 C ATOM 381 CG LYS A 45 -7.868 10.950 -4.921 1.00 0.00 C ATOM 382 CD LYS A 45 -8.261 11.749 -6.198 1.00 0.00 C ATOM 383 CE LYS A 45 -7.051 12.302 -6.954 1.00 0.00 C ATOM 384 NZ LYS A 45 -6.223 13.198 -6.122 1.00 0.00 N ATOM 0 H LYS A 45 -6.722 7.455 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.537 8.109 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.495 9.339 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.763 9.605 -6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.750 10.825 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.146 11.530 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.833 11.102 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.915 12.574 -5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.439 11.473 -7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.394 12.844 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.059 14.091 -6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.715 13.394 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.310 12.741 -5.922 1.00 0.00 H new ATOM 398 N ALA A 46 -9.509 8.599 -7.351 1.00 0.00 N ATOM 399 CA ALA A 46 -10.649 8.910 -8.240 1.00 0.00 C ATOM 400 C ALA A 46 -11.696 7.785 -8.222 1.00 0.00 C ATOM 401 O ALA A 46 -12.862 8.013 -8.557 1.00 0.00 O ATOM 402 CB ALA A 46 -10.153 9.161 -9.680 1.00 0.00 C ATOM 0 H ALA A 46 -8.662 8.339 -7.856 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.127 9.816 -7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.003 9.389 -10.323 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.459 10.002 -9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.646 8.270 -10.051 1.00 0.00 H new ATOM 408 N SER A 47 -11.262 6.571 -7.835 1.00 0.00 N ATOM 409 CA SER A 47 -12.131 5.387 -7.768 1.00 0.00 C ATOM 410 C SER A 47 -12.509 5.039 -6.310 1.00 0.00 C ATOM 411 O SER A 47 -13.137 4.005 -6.069 1.00 0.00 O ATOM 412 CB SER A 47 -11.410 4.214 -8.447 1.00 0.00 C ATOM 413 OG SER A 47 -11.070 4.531 -9.783 1.00 0.00 O ATOM 0 H SER A 47 -10.297 6.386 -7.560 1.00 0.00 H new ATOM 0 HA SER A 47 -13.065 5.597 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.508 3.965 -7.888 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.049 3.331 -8.431 1.00 0.00 H new ATOM 0 HG SER A 47 -10.214 5.007 -9.798 1.00 0.00 H new ATOM 419 N ASN A 48 -12.096 5.905 -5.347 1.00 0.00 N ATOM 420 CA ASN A 48 -12.460 5.792 -3.905 1.00 0.00 C ATOM 421 C ASN A 48 -11.832 4.514 -3.252 1.00 0.00 C ATOM 422 O ASN A 48 -12.228 4.086 -2.164 1.00 0.00 O ATOM 423 CB ASN A 48 -14.016 5.872 -3.741 1.00 0.00 C ATOM 424 CG ASN A 48 -14.497 6.070 -2.297 1.00 0.00 C ATOM 425 OD1 ASN A 48 -14.797 5.109 -1.589 1.00 0.00 O ATOM 426 ND2 ASN A 48 -14.547 7.313 -1.843 1.00 0.00 N ATOM 0 H ASN A 48 -11.498 6.706 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.034 6.635 -3.360 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.391 6.694 -4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.457 4.956 -4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.840 7.494 -0.883 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.292 8.090 -2.453 1.00 0.00 H new ATOM 433 N GLY A 49 -10.809 3.942 -3.924 1.00 0.00 N ATOM 434 CA GLY A 49 -10.091 2.750 -3.437 1.00 0.00 C ATOM 435 C GLY A 49 -10.311 1.525 -4.324 1.00 0.00 C ATOM 436 O GLY A 49 -9.712 0.471 -4.077 1.00 0.00 O ATOM 0 H GLY A 49 -10.461 4.294 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.025 2.969 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.419 2.523 -2.423 1.00 0.00 H new ATOM 440 N ASP A 50 -11.165 1.674 -5.363 1.00 0.00 N ATOM 441 CA ASP A 50 -11.516 0.582 -6.295 1.00 0.00 C ATOM 442 C ASP A 50 -10.432 0.446 -7.384 1.00 0.00 C ATOM 443 O ASP A 50 -10.293 1.321 -8.242 1.00 0.00 O ATOM 444 CB ASP A 50 -12.907 0.865 -6.932 1.00 0.00 C ATOM 445 CG ASP A 50 -13.535 -0.362 -7.616 1.00 0.00 C ATOM 446 OD1 ASP A 50 -13.059 -0.768 -8.686 1.00 0.00 O ATOM 447 OD2 ASP A 50 -14.512 -0.931 -7.076 1.00 0.00 O ATOM 0 H ASP A 50 -11.630 2.556 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.568 -0.359 -5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.585 1.225 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.805 1.666 -7.664 1.00 0.00 H new ATOM 452 N ILE A 51 -9.678 -0.663 -7.353 1.00 0.00 N ATOM 453 CA ILE A 51 -8.533 -0.876 -8.261 1.00 0.00 C ATOM 454 C ILE A 51 -8.994 -1.213 -9.707 1.00 0.00 C ATOM 455 O ILE A 51 -8.272 -0.942 -10.676 1.00 0.00 O ATOM 456 CB ILE A 51 -7.570 -1.985 -7.686 1.00 0.00 C ATOM 457 CG1 ILE A 51 -6.213 -2.023 -8.455 1.00 0.00 C ATOM 458 CG2 ILE A 51 -8.248 -3.383 -7.678 1.00 0.00 C ATOM 459 CD1 ILE A 51 -5.138 -2.847 -7.788 1.00 0.00 C ATOM 0 H ILE A 51 -9.840 -1.434 -6.705 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.977 0.059 -8.320 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.355 -1.717 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.388 -2.419 -9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.849 -1.003 -8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.555 -4.121 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.143 -3.350 -7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.522 -3.660 -8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.230 -2.817 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.930 -2.441 -6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.477 -3.879 -7.693 1.00 0.00 H new ATOM 471 N THR A 52 -10.222 -1.758 -9.834 1.00 0.00 N ATOM 472 CA THR A 52 -10.813 -2.153 -11.134 1.00 0.00 C ATOM 473 C THR A 52 -11.196 -0.901 -11.959 1.00 0.00 C ATOM 474 O THR A 52 -10.909 -0.812 -13.170 1.00 0.00 O ATOM 475 CB THR A 52 -12.068 -3.059 -10.897 1.00 0.00 C ATOM 476 OG1 THR A 52 -11.705 -4.188 -10.081 1.00 0.00 O ATOM 477 CG2 THR A 52 -12.709 -3.560 -12.208 1.00 0.00 C ATOM 0 H THR A 52 -10.834 -1.938 -9.038 1.00 0.00 H new ATOM 0 HA THR A 52 -10.072 -2.719 -11.699 1.00 0.00 H new ATOM 0 HB THR A 52 -12.811 -2.442 -10.392 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.493 -4.752 -9.933 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.573 -4.182 -11.976 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.027 -2.707 -12.807 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.980 -4.146 -12.769 1.00 0.00 H new ATOM 485 N GLN A 53 -11.832 0.077 -11.286 1.00 0.00 N ATOM 486 CA GLN A 53 -12.186 1.365 -11.902 1.00 0.00 C ATOM 487 C GLN A 53 -10.928 2.202 -12.130 1.00 0.00 C ATOM 488 O GLN A 53 -10.835 2.902 -13.129 1.00 0.00 O ATOM 489 CB GLN A 53 -13.225 2.134 -11.038 1.00 0.00 C ATOM 490 CG GLN A 53 -14.622 1.480 -10.980 1.00 0.00 C ATOM 491 CD GLN A 53 -15.264 1.300 -12.363 1.00 0.00 C ATOM 492 OE1 GLN A 53 -15.116 0.260 -13.009 1.00 0.00 O ATOM 493 NE2 GLN A 53 -15.966 2.322 -12.835 1.00 0.00 N ATOM 0 H GLN A 53 -12.112 -0.004 -10.308 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.650 1.170 -12.869 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.838 2.224 -10.023 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.328 3.145 -11.431 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.541 0.507 -10.495 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.277 2.092 -10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -16.071 3.170 -12.277 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.401 2.260 -13.756 1.00 0.00 H new ATOM 502 N ALA A 54 -9.952 2.082 -11.207 1.00 0.00 N ATOM 503 CA ALA A 54 -8.662 2.798 -11.282 1.00 0.00 C ATOM 504 C ALA A 54 -7.898 2.491 -12.589 1.00 0.00 C ATOM 505 O ALA A 54 -7.487 3.419 -13.317 1.00 0.00 O ATOM 506 CB ALA A 54 -7.812 2.457 -10.049 1.00 0.00 C ATOM 0 H ALA A 54 -10.037 1.483 -10.385 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.869 3.868 -11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.861 2.986 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.343 2.760 -9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.629 1.383 -10.019 1.00 0.00 H new ATOM 512 N VAL A 55 -7.725 1.186 -12.892 1.00 0.00 N ATOM 513 CA VAL A 55 -7.106 0.738 -14.157 1.00 0.00 C ATOM 514 C VAL A 55 -7.974 1.140 -15.360 1.00 0.00 C ATOM 515 O VAL A 55 -7.439 1.589 -16.376 1.00 0.00 O ATOM 516 CB VAL A 55 -6.801 -0.815 -14.179 1.00 0.00 C ATOM 517 CG1 VAL A 55 -8.051 -1.677 -13.908 1.00 0.00 C ATOM 518 CG2 VAL A 55 -6.108 -1.251 -15.502 1.00 0.00 C ATOM 0 H VAL A 55 -8.006 0.423 -12.276 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.144 1.245 -14.229 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.107 -0.992 -13.357 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.778 -2.732 -13.936 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.456 -1.433 -12.926 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.804 -1.476 -14.670 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.916 -2.324 -15.476 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.757 -1.019 -16.346 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.164 -0.716 -15.612 1.00 0.00 H new ATOM 528 N SER A 56 -9.321 1.033 -15.212 1.00 0.00 N ATOM 529 CA SER A 56 -10.284 1.423 -16.271 1.00 0.00 C ATOM 530 C SER A 56 -10.147 2.922 -16.648 1.00 0.00 C ATOM 531 O SER A 56 -10.376 3.302 -17.806 1.00 0.00 O ATOM 532 CB SER A 56 -11.730 1.093 -15.816 1.00 0.00 C ATOM 533 OG SER A 56 -12.684 1.290 -16.854 1.00 0.00 O ATOM 0 H SER A 56 -9.764 0.678 -14.365 1.00 0.00 H new ATOM 0 HA SER A 56 -10.056 0.847 -17.168 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.774 0.058 -15.477 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.991 1.719 -14.963 1.00 0.00 H new ATOM 0 HG SER A 56 -13.579 1.068 -16.522 1.00 0.00 H new ATOM 539 N LEU A 57 -9.761 3.759 -15.663 1.00 0.00 N ATOM 540 CA LEU A 57 -9.561 5.207 -15.865 1.00 0.00 C ATOM 541 C LEU A 57 -8.211 5.502 -16.536 1.00 0.00 C ATOM 542 O LEU A 57 -8.123 6.375 -17.399 1.00 0.00 O ATOM 543 CB LEU A 57 -9.651 5.981 -14.519 1.00 0.00 C ATOM 544 CG LEU A 57 -11.029 5.939 -13.781 1.00 0.00 C ATOM 545 CD1 LEU A 57 -10.992 6.744 -12.460 1.00 0.00 C ATOM 546 CD2 LEU A 57 -12.189 6.411 -14.697 1.00 0.00 C ATOM 0 H LEU A 57 -9.580 3.450 -14.708 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.360 5.547 -16.524 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.891 5.584 -13.846 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.397 7.024 -14.707 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.222 4.897 -13.526 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.967 6.692 -11.975 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.235 6.323 -11.799 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.748 7.785 -12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.129 6.367 -14.146 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.005 7.436 -15.018 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.250 5.762 -15.571 1.00 0.00 H new ATOM 558 N LEU A 58 -7.150 4.793 -16.117 1.00 0.00 N ATOM 559 CA LEU A 58 -5.792 5.023 -16.662 1.00 0.00 C ATOM 560 C LEU A 58 -5.603 4.421 -18.071 1.00 0.00 C ATOM 561 O LEU A 58 -4.711 4.854 -18.811 1.00 0.00 O ATOM 562 CB LEU A 58 -4.711 4.517 -15.682 1.00 0.00 C ATOM 563 CG LEU A 58 -4.590 5.311 -14.336 1.00 0.00 C ATOM 564 CD1 LEU A 58 -3.474 4.735 -13.446 1.00 0.00 C ATOM 565 CD2 LEU A 58 -4.369 6.836 -14.575 1.00 0.00 C ATOM 0 H LEU A 58 -7.200 4.061 -15.409 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.675 6.101 -16.773 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.918 3.472 -15.449 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.746 4.546 -16.188 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.540 5.194 -13.814 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.415 5.307 -12.520 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.694 3.693 -13.215 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.521 4.797 -13.972 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.291 7.347 -13.615 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.450 6.986 -15.142 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.211 7.242 -15.135 1.00 0.00 H new ATOM 577 N THR A 59 -6.451 3.439 -18.437 1.00 0.00 N ATOM 578 CA THR A 59 -6.441 2.831 -19.784 1.00 0.00 C ATOM 579 C THR A 59 -7.269 3.656 -20.789 1.00 0.00 C ATOM 580 O THR A 59 -7.299 3.318 -21.977 1.00 0.00 O ATOM 581 CB THR A 59 -6.968 1.359 -19.754 1.00 0.00 C ATOM 582 OG1 THR A 59 -8.272 1.318 -19.144 1.00 0.00 O ATOM 583 CG2 THR A 59 -6.004 0.419 -19.003 1.00 0.00 C ATOM 0 H THR A 59 -7.157 3.047 -17.813 1.00 0.00 H new ATOM 0 HA THR A 59 -5.402 2.825 -20.113 1.00 0.00 H new ATOM 0 HB THR A 59 -7.034 1.009 -20.784 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.180 1.382 -18.170 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.408 -0.594 -19.005 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.033 0.424 -19.497 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.889 0.761 -17.975 1.00 0.00 H new ATOM 1203 N ASP A 101 -35.963 7.644-108.696 1.00 0.00 N ATOM 1204 CA ASP A 101 -37.428 7.802-108.859 1.00 0.00 C ATOM 1205 C ASP A 101 -37.666 8.981-109.797 1.00 0.00 C ATOM 1206 O ASP A 101 -38.083 8.817-110.954 1.00 0.00 O ATOM 1207 CB ASP A 101 -38.141 8.063-107.493 1.00 0.00 C ATOM 1208 CG ASP A 101 -37.838 6.999-106.430 1.00 0.00 C ATOM 1209 OD1 ASP A 101 -38.558 5.976-106.364 1.00 0.00 O ATOM 1210 OD2 ASP A 101 -36.858 7.176-105.671 1.00 0.00 O ATOM 0 HA ASP A 101 -37.844 6.881-109.267 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -37.838 9.039-107.115 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -39.218 8.105-107.657 1.00 0.00 H new ATOM 1215 N LEU A 102 -37.338 10.180-109.273 1.00 0.00 N ATOM 1216 CA LEU A 102 -37.521 11.452-109.978 1.00 0.00 C ATOM 1217 C LEU A 102 -36.621 11.563-111.222 1.00 0.00 C ATOM 1218 O LEU A 102 -36.983 12.272-112.155 1.00 0.00 O ATOM 1219 CB LEU A 102 -37.393 12.704-109.019 1.00 0.00 C ATOM 1220 CG LEU A 102 -36.022 13.068-108.301 1.00 0.00 C ATOM 1221 CD1 LEU A 102 -35.412 11.884-107.523 1.00 0.00 C ATOM 1222 CD2 LEU A 102 -34.999 13.718-109.270 1.00 0.00 C ATOM 0 H LEU A 102 -36.936 10.286-108.342 1.00 0.00 H new ATOM 0 HA LEU A 102 -38.549 11.458-110.341 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -37.688 13.578-109.600 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -38.138 12.578-108.233 1.00 0.00 H new ATOM 0 HG LEU A 102 -36.273 13.822-107.555 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -34.478 12.198-107.056 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -36.110 11.556-106.753 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -35.216 11.060-108.209 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -34.081 13.947-108.729 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -34.779 13.027-110.084 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -35.418 14.637-109.679 1.00 0.00 H new ATOM 1234 N GLN A 103 -35.469 10.855-111.234 1.00 0.00 N ATOM 1235 CA GLN A 103 -34.566 10.818-112.407 1.00 0.00 C ATOM 1236 C GLN A 103 -35.286 10.168-113.596 1.00 0.00 C ATOM 1237 O GLN A 103 -35.405 10.783-114.662 1.00 0.00 O ATOM 1238 CB GLN A 103 -33.236 10.054-112.113 1.00 0.00 C ATOM 1239 CG GLN A 103 -32.250 10.733-111.138 1.00 0.00 C ATOM 1240 CD GLN A 103 -32.703 10.733-109.675 1.00 0.00 C ATOM 1241 OE1 GLN A 103 -33.411 9.831-109.220 1.00 0.00 O ATOM 1242 NE2 GLN A 103 -32.296 11.744-108.930 1.00 0.00 N ATOM 0 H GLN A 103 -35.142 10.300-110.443 1.00 0.00 H new ATOM 0 HA GLN A 103 -34.302 11.848-112.646 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -33.488 9.072-111.713 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -32.721 9.890-113.059 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -31.286 10.229-111.207 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -32.095 11.764-111.457 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -31.711 12.474-109.337 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -32.566 11.795-107.948 1.00 0.00 H new ATOM 1251 N ALA A 104 -35.792 8.932-113.389 1.00 0.00 N ATOM 1252 CA ALA A 104 -36.542 8.179-114.415 1.00 0.00 C ATOM 1253 C ALA A 104 -37.803 8.940-114.875 1.00 0.00 C ATOM 1254 O ALA A 104 -38.134 8.931-116.066 1.00 0.00 O ATOM 1255 CB ALA A 104 -36.913 6.791-113.880 1.00 0.00 C ATOM 0 H ALA A 104 -35.691 8.430-112.507 1.00 0.00 H new ATOM 0 HA ALA A 104 -35.897 8.065-115.286 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -37.466 6.243-114.643 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -36.005 6.244-113.626 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -37.533 6.898-112.990 1.00 0.00 H new ATOM 1261 N ALA A 105 -38.482 9.603-113.912 1.00 0.00 N ATOM 1262 CA ALA A 105 -39.704 10.396-114.173 1.00 0.00 C ATOM 1263 C ALA A 105 -39.425 11.586-115.118 1.00 0.00 C ATOM 1264 O ALA A 105 -40.069 11.711-116.165 1.00 0.00 O ATOM 1265 CB ALA A 105 -40.307 10.881-112.845 1.00 0.00 C ATOM 0 H ALA A 105 -38.198 9.603-112.932 1.00 0.00 H new ATOM 0 HA ALA A 105 -40.424 9.751-114.676 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -41.206 11.464-113.045 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -40.562 10.021-112.226 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -39.581 11.502-112.321 1.00 0.00 H new ATOM 1271 N ILE A 106 -38.431 12.426-114.737 1.00 0.00 N ATOM 1272 CA ILE A 106 -38.031 13.630-115.501 1.00 0.00 C ATOM 1273 C ILE A 106 -37.516 13.238-116.899 1.00 0.00 C ATOM 1274 O ILE A 106 -37.901 13.845-117.900 1.00 0.00 O ATOM 1275 CB ILE A 106 -36.913 14.456-114.728 1.00 0.00 C ATOM 1276 CG1 ILE A 106 -37.466 15.043-113.382 1.00 0.00 C ATOM 1277 CG2 ILE A 106 -36.294 15.575-115.608 1.00 0.00 C ATOM 1278 CD1 ILE A 106 -38.608 16.041-113.515 1.00 0.00 C ATOM 0 H ILE A 106 -37.883 12.285-113.888 1.00 0.00 H new ATOM 0 HA ILE A 106 -38.913 14.261-115.610 1.00 0.00 H new ATOM 0 HB ILE A 106 -36.113 13.755-114.490 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -37.802 14.215-112.757 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -36.645 15.527-112.854 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -35.536 16.110-115.036 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -35.835 15.131-116.492 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -37.075 16.270-115.915 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -38.911 16.381-112.525 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -38.278 16.895-114.107 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -39.454 15.562-114.009 1.00 0.00 H new ATOM 1290 N ALA A 107 -36.669 12.191-116.937 1.00 0.00 N ATOM 1291 CA ALA A 107 -36.011 11.716-118.166 1.00 0.00 C ATOM 1292 C ALA A 107 -37.035 11.235-119.202 1.00 0.00 C ATOM 1293 O ALA A 107 -37.002 11.678-120.352 1.00 0.00 O ATOM 1294 CB ALA A 107 -34.991 10.604-117.835 1.00 0.00 C ATOM 0 H ALA A 107 -36.422 11.649-116.109 1.00 0.00 H new ATOM 0 HA ALA A 107 -35.474 12.556-118.607 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -34.513 10.263-118.754 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -34.234 10.995-117.156 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -35.505 9.768-117.362 1.00 0.00 H new ATOM 1300 N LEU A 108 -37.971 10.374-118.753 1.00 0.00 N ATOM 1301 CA LEU A 108 -39.008 9.764-119.609 1.00 0.00 C ATOM 1302 C LEU A 108 -40.003 10.839-120.089 1.00 0.00 C ATOM 1303 O LEU A 108 -40.424 10.824-121.251 1.00 0.00 O ATOM 1304 CB LEU A 108 -39.728 8.613-118.824 1.00 0.00 C ATOM 1305 CG LEU A 108 -40.664 7.616-119.621 1.00 0.00 C ATOM 1306 CD1 LEU A 108 -42.057 8.215-119.943 1.00 0.00 C ATOM 1307 CD2 LEU A 108 -39.971 7.100-120.912 1.00 0.00 C ATOM 0 H LEU A 108 -38.028 10.080-117.778 1.00 0.00 H new ATOM 0 HA LEU A 108 -38.544 9.330-120.495 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -38.959 8.020-118.329 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -40.329 9.074-118.040 1.00 0.00 H new ATOM 0 HG LEU A 108 -40.836 6.768-118.958 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -42.650 7.482-120.490 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -42.566 8.473-119.014 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -41.936 9.111-120.552 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -40.640 6.418-121.436 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -39.733 7.944-121.560 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -39.053 6.576-120.647 1.00 0.00 H new ATOM 1319 N SER A 109 -40.359 11.783-119.192 1.00 0.00 N ATOM 1320 CA SER A 109 -41.336 12.845-119.497 1.00 0.00 C ATOM 1321 C SER A 109 -40.778 13.830-120.539 1.00 0.00 C ATOM 1322 O SER A 109 -41.476 14.201-121.495 1.00 0.00 O ATOM 1323 CB SER A 109 -41.732 13.585-118.198 1.00 0.00 C ATOM 1324 OG SER A 109 -42.790 14.505-118.423 1.00 0.00 O ATOM 0 H SER A 109 -39.981 11.829-118.246 1.00 0.00 H new ATOM 0 HA SER A 109 -42.226 12.384-119.925 1.00 0.00 H new ATOM 0 HB2 SER A 109 -42.034 12.859-117.443 1.00 0.00 H new ATOM 0 HB3 SER A 109 -40.866 14.115-117.802 1.00 0.00 H new ATOM 0 HG SER A 109 -43.017 14.954-117.582 1.00 0.00 H new ATOM 1330 N LEU A 110 -39.513 14.238-120.346 1.00 0.00 N ATOM 1331 CA LEU A 110 -38.823 15.176-121.252 1.00 0.00 C ATOM 1332 C LEU A 110 -38.316 14.467-122.522 1.00 0.00 C ATOM 1333 O LEU A 110 -37.962 15.133-123.504 1.00 0.00 O ATOM 1334 CB LEU A 110 -37.667 15.903-120.513 1.00 0.00 C ATOM 1335 CG LEU A 110 -38.101 16.862-119.345 1.00 0.00 C ATOM 1336 CD1 LEU A 110 -36.879 17.535-118.677 1.00 0.00 C ATOM 1337 CD2 LEU A 110 -39.126 17.923-119.825 1.00 0.00 C ATOM 0 H LEU A 110 -38.940 13.929-119.561 1.00 0.00 H new ATOM 0 HA LEU A 110 -39.547 15.926-121.569 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -36.989 15.151-120.108 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -37.101 16.482-121.243 1.00 0.00 H new ATOM 0 HG LEU A 110 -38.592 16.245-118.593 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -37.218 18.190-117.875 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -36.221 16.769-118.266 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -36.336 18.121-119.419 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -39.402 18.567-118.990 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -38.682 18.526-120.617 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -40.016 17.423-120.206 1.00 0.00 H new