USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 TYR OH : rot 180:sc= 0.0297 USER MOD Set 1.2: A 39 SER OG : rot -174:sc= 0.0311 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 156:sc= -0.305 (180deg=-0.593) USER MOD Set 2.2: A 54 MET CE :methyl -143:sc= -5.28! (180deg=-11.3!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.087 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.741 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc=-0.00647 (180deg=-0.15) USER MOD Single : A 13 ASN : amide:sc= -4.26! C(o=-4.3!,f=-5.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -5.59! C(o=-5.6!,f=-12!) USER MOD Single : A 27 GLN : amide:sc= -0.562 K(o=-0.56,f=-2.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.012 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.494 K(o=-0.49,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00701) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.183 F(o=-1.1,f=-0.18) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 54:sc= 0.36 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.309 -24.054 -1.910 1.00 0.00 N ATOM 2 CA GLY A 1 8.795 -23.721 -0.584 1.00 0.00 C ATOM 3 C GLY A 1 9.529 -22.395 -0.552 1.00 0.00 C ATOM 4 O GLY A 1 9.555 -21.668 -1.545 1.00 0.00 O ATOM 0 H1 GLY A 1 7.286 -24.234 -1.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.496 -23.262 -2.557 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.797 -24.905 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.955 -23.684 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.461 -24.510 -0.236 1.00 0.00 H new ATOM 8 N SER A 2 10.128 -22.079 0.592 1.00 0.00 N ATOM 9 CA SER A 2 10.861 -20.828 0.751 1.00 0.00 C ATOM 10 C SER A 2 12.177 -20.869 -0.020 1.00 0.00 C ATOM 11 O SER A 2 13.063 -21.667 0.284 1.00 0.00 O ATOM 12 CB SER A 2 11.133 -20.557 2.232 1.00 0.00 C ATOM 13 OG SER A 2 12.018 -21.522 2.773 1.00 0.00 O ATOM 0 H SER A 2 10.120 -22.672 1.422 1.00 0.00 H new ATOM 0 HA SER A 2 10.248 -20.022 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.560 -19.561 2.350 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.194 -20.569 2.786 1.00 0.00 H new ATOM 0 HG SER A 2 12.653 -21.807 2.083 1.00 0.00 H new ATOM 19 N SER A 3 12.296 -20.001 -1.020 1.00 0.00 N ATOM 20 CA SER A 3 13.502 -19.939 -1.838 1.00 0.00 C ATOM 21 C SER A 3 14.032 -18.511 -1.916 1.00 0.00 C ATOM 22 O SER A 3 13.263 -17.553 -1.968 1.00 0.00 O ATOM 23 CB SER A 3 13.215 -20.465 -3.246 1.00 0.00 C ATOM 24 OG SER A 3 14.413 -20.611 -3.990 1.00 0.00 O ATOM 0 H SER A 3 11.573 -19.332 -1.283 1.00 0.00 H new ATOM 0 HA SER A 3 14.262 -20.566 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.704 -21.426 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.543 -19.780 -3.763 1.00 0.00 H new ATOM 0 HG SER A 3 14.203 -20.950 -4.885 1.00 0.00 H new ATOM 30 N GLY A 4 15.356 -18.377 -1.924 1.00 0.00 N ATOM 31 CA GLY A 4 15.968 -17.064 -1.994 1.00 0.00 C ATOM 32 C GLY A 4 16.535 -16.616 -0.662 1.00 0.00 C ATOM 33 O GLY A 4 16.361 -17.291 0.353 1.00 0.00 O ATOM 0 H GLY A 4 16.014 -19.155 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.764 -17.077 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.228 -16.339 -2.332 1.00 0.00 H new ATOM 37 N SER A 5 17.217 -15.475 -0.664 1.00 0.00 N ATOM 38 CA SER A 5 17.816 -14.941 0.553 1.00 0.00 C ATOM 39 C SER A 5 17.426 -13.479 0.754 1.00 0.00 C ATOM 40 O SER A 5 17.674 -12.635 -0.106 1.00 0.00 O ATOM 41 CB SER A 5 19.340 -15.070 0.496 1.00 0.00 C ATOM 42 OG SER A 5 19.749 -16.398 0.772 1.00 0.00 O ATOM 0 H SER A 5 17.368 -14.903 -1.495 1.00 0.00 H new ATOM 0 HA SER A 5 17.440 -15.519 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.697 -14.774 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.793 -14.389 1.217 1.00 0.00 H new ATOM 0 HG SER A 5 20.726 -16.455 0.728 1.00 0.00 H new ATOM 48 N SER A 6 16.813 -13.189 1.897 1.00 0.00 N ATOM 49 CA SER A 6 16.385 -11.831 2.212 1.00 0.00 C ATOM 50 C SER A 6 17.383 -10.808 1.678 1.00 0.00 C ATOM 51 O SER A 6 18.493 -10.680 2.195 1.00 0.00 O ATOM 52 CB SER A 6 16.223 -11.662 3.723 1.00 0.00 C ATOM 53 OG SER A 6 15.120 -12.409 4.205 1.00 0.00 O ATOM 0 H SER A 6 16.602 -13.876 2.620 1.00 0.00 H new ATOM 0 HA SER A 6 15.423 -11.659 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.133 -11.985 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.084 -10.607 3.961 1.00 0.00 H new ATOM 0 HG SER A 6 15.039 -12.285 5.174 1.00 0.00 H new ATOM 59 N GLY A 7 16.980 -10.083 0.640 1.00 0.00 N ATOM 60 CA GLY A 7 17.850 -9.081 0.052 1.00 0.00 C ATOM 61 C GLY A 7 17.189 -7.721 -0.040 1.00 0.00 C ATOM 62 O GLY A 7 17.382 -6.870 0.829 1.00 0.00 O ATOM 0 H GLY A 7 16.066 -10.171 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.760 -9.000 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.149 -9.404 -0.945 1.00 0.00 H new ATOM 66 N GLN A 8 16.409 -7.514 -1.096 1.00 0.00 N ATOM 67 CA GLN A 8 15.720 -6.246 -1.299 1.00 0.00 C ATOM 68 C GLN A 8 14.235 -6.470 -1.570 1.00 0.00 C ATOM 69 O GLN A 8 13.816 -7.537 -2.019 1.00 0.00 O ATOM 70 CB GLN A 8 16.352 -5.477 -2.461 1.00 0.00 C ATOM 71 CG GLN A 8 17.682 -4.832 -2.112 1.00 0.00 C ATOM 72 CD GLN A 8 18.289 -4.075 -3.276 1.00 0.00 C ATOM 73 OE1 GLN A 8 18.318 -4.569 -4.404 1.00 0.00 O ATOM 74 NE2 GLN A 8 18.774 -2.869 -3.011 1.00 0.00 N ATOM 0 H GLN A 8 16.239 -8.208 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 8 15.820 -5.658 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.497 -6.158 -3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.659 -4.704 -2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.541 -4.149 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.379 -5.602 -1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.729 -2.499 -2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.192 -2.312 -3.757 1.00 0.00 H new ATOM 83 N PRO A 9 13.420 -5.443 -1.290 1.00 0.00 N ATOM 84 CA PRO A 9 11.970 -5.504 -1.496 1.00 0.00 C ATOM 85 C PRO A 9 11.595 -5.527 -2.973 1.00 0.00 C ATOM 86 O PRO A 9 12.427 -5.307 -3.854 1.00 0.00 O ATOM 87 CB PRO A 9 11.464 -4.219 -0.834 1.00 0.00 C ATOM 88 CG PRO A 9 12.622 -3.285 -0.885 1.00 0.00 C ATOM 89 CD PRO A 9 13.851 -4.142 -0.751 1.00 0.00 C ATOM 0 HA PRO A 9 11.536 -6.413 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.604 -3.812 -1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.147 -4.401 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.634 -2.729 -1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.568 -2.552 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.690 -3.732 -1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.173 -4.224 0.287 1.00 0.00 H new ATOM 97 N PRO A 10 10.312 -5.798 -3.255 1.00 0.00 N ATOM 98 CA PRO A 10 9.797 -5.855 -4.626 1.00 0.00 C ATOM 99 C PRO A 10 9.753 -4.480 -5.286 1.00 0.00 C ATOM 100 O PRO A 10 10.080 -3.470 -4.661 1.00 0.00 O ATOM 101 CB PRO A 10 8.380 -6.408 -4.451 1.00 0.00 C ATOM 102 CG PRO A 10 7.996 -6.032 -3.061 1.00 0.00 C ATOM 103 CD PRO A 10 9.265 -6.070 -2.256 1.00 0.00 C ATOM 0 HA PRO A 10 10.430 -6.462 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.694 -5.978 -5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.357 -7.489 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.547 -5.039 -3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.258 -6.726 -2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.261 -5.321 -1.464 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.408 -7.039 -1.778 1.00 0.00 H new ATOM 111 N LEU A 11 9.345 -4.448 -6.549 1.00 0.00 N ATOM 112 CA LEU A 11 9.258 -3.197 -7.295 1.00 0.00 C ATOM 113 C LEU A 11 7.964 -2.459 -6.968 1.00 0.00 C ATOM 114 O LEU A 11 6.879 -3.041 -7.001 1.00 0.00 O ATOM 115 CB LEU A 11 9.340 -3.469 -8.798 1.00 0.00 C ATOM 116 CG LEU A 11 9.954 -2.356 -9.648 1.00 0.00 C ATOM 117 CD1 LEU A 11 10.594 -2.934 -10.901 1.00 0.00 C ATOM 118 CD2 LEU A 11 8.900 -1.322 -10.014 1.00 0.00 C ATOM 0 H LEU A 11 9.069 -5.275 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 11 10.098 -2.567 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.921 -4.379 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.334 -3.667 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 11 10.730 -1.863 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.026 -2.128 -11.494 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.378 -3.637 -10.618 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.837 -3.452 -11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.355 -0.537 -10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.102 -1.801 -10.581 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.487 -0.886 -9.104 1.00 0.00 H new ATOM 130 N LYS A 12 8.085 -1.173 -6.657 1.00 0.00 N ATOM 131 CA LYS A 12 6.925 -0.353 -6.329 1.00 0.00 C ATOM 132 C LYS A 12 5.719 -0.754 -7.171 1.00 0.00 C ATOM 133 O LYS A 12 4.584 -0.737 -6.695 1.00 0.00 O ATOM 134 CB LYS A 12 7.243 1.129 -6.548 1.00 0.00 C ATOM 135 CG LYS A 12 7.157 1.560 -8.002 1.00 0.00 C ATOM 136 CD LYS A 12 5.760 2.039 -8.359 1.00 0.00 C ATOM 137 CE LYS A 12 5.501 3.444 -7.836 1.00 0.00 C ATOM 138 NZ LYS A 12 6.260 4.470 -8.603 1.00 0.00 N ATOM 0 H LYS A 12 8.975 -0.676 -6.625 1.00 0.00 H new ATOM 0 HA LYS A 12 6.683 -0.515 -5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.553 1.731 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.246 1.336 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.875 2.358 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.433 0.726 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.635 2.024 -9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.022 1.353 -7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.435 3.662 -7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.780 3.497 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.886 5.415 -8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.265 4.426 -8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.160 4.286 -9.622 1.00 0.00 H new ATOM 152 N ASN A 13 5.972 -1.116 -8.424 1.00 0.00 N ATOM 153 CA ASN A 13 4.906 -1.523 -9.333 1.00 0.00 C ATOM 154 C ASN A 13 3.977 -2.532 -8.664 1.00 0.00 C ATOM 155 O ASN A 13 2.754 -2.385 -8.699 1.00 0.00 O ATOM 156 CB ASN A 13 5.497 -2.126 -10.609 1.00 0.00 C ATOM 157 CG ASN A 13 6.140 -1.079 -11.498 1.00 0.00 C ATOM 158 OD1 ASN A 13 5.861 0.112 -11.375 1.00 0.00 O ATOM 159 ND2 ASN A 13 7.008 -1.523 -12.400 1.00 0.00 N ATOM 0 H ASN A 13 6.906 -1.136 -8.834 1.00 0.00 H new ATOM 0 HA ASN A 13 4.326 -0.637 -9.593 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.239 -2.878 -10.342 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.711 -2.637 -11.164 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.474 -0.866 -13.026 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.209 -2.521 -12.466 1.00 0.00 H new ATOM 166 N LEU A 14 4.564 -3.555 -8.054 1.00 0.00 N ATOM 167 CA LEU A 14 3.790 -4.588 -7.375 1.00 0.00 C ATOM 168 C LEU A 14 2.652 -3.973 -6.566 1.00 0.00 C ATOM 169 O LEU A 14 1.478 -4.251 -6.814 1.00 0.00 O ATOM 170 CB LEU A 14 4.695 -5.413 -6.458 1.00 0.00 C ATOM 171 CG LEU A 14 3.997 -6.465 -5.596 1.00 0.00 C ATOM 172 CD1 LEU A 14 4.928 -7.638 -5.328 1.00 0.00 C ATOM 173 CD2 LEU A 14 3.522 -5.851 -4.287 1.00 0.00 C ATOM 0 H LEU A 14 5.574 -3.692 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 14 3.360 -5.242 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.442 -5.914 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.231 -4.730 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 14 3.127 -6.834 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.414 -8.377 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.221 -8.094 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.817 -7.285 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.027 -6.614 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.377 -5.455 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.821 -5.044 -4.497 1.00 0.00 H new ATOM 185 N LEU A 15 3.008 -3.135 -5.598 1.00 0.00 N ATOM 186 CA LEU A 15 2.017 -2.478 -4.753 1.00 0.00 C ATOM 187 C LEU A 15 0.772 -2.113 -5.555 1.00 0.00 C ATOM 188 O LEU A 15 -0.352 -2.365 -5.124 1.00 0.00 O ATOM 189 CB LEU A 15 2.614 -1.221 -4.116 1.00 0.00 C ATOM 190 CG LEU A 15 3.870 -1.430 -3.268 1.00 0.00 C ATOM 191 CD1 LEU A 15 4.674 -0.143 -3.179 1.00 0.00 C ATOM 192 CD2 LEU A 15 3.497 -1.925 -1.878 1.00 0.00 C ATOM 0 H LEU A 15 3.975 -2.895 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 15 1.728 -3.175 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.850 -0.512 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.851 -0.757 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 15 4.489 -2.188 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.564 -0.311 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.971 0.170 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.064 0.636 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.402 -2.069 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.858 -1.190 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.963 -2.872 -1.960 1.00 0.00 H new ATOM 204 N SER A 16 0.982 -1.519 -6.726 1.00 0.00 N ATOM 205 CA SER A 16 -0.122 -1.118 -7.589 1.00 0.00 C ATOM 206 C SER A 16 -1.186 -2.209 -7.651 1.00 0.00 C ATOM 207 O SER A 16 -2.379 -1.939 -7.504 1.00 0.00 O ATOM 208 CB SER A 16 0.390 -0.807 -8.997 1.00 0.00 C ATOM 209 OG SER A 16 -0.642 -0.268 -9.806 1.00 0.00 O ATOM 0 H SER A 16 1.907 -1.305 -7.098 1.00 0.00 H new ATOM 0 HA SER A 16 -0.572 -0.219 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.218 -0.100 -8.939 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.779 -1.716 -9.455 1.00 0.00 H new ATOM 0 HG SER A 16 -0.290 -0.076 -10.700 1.00 0.00 H new ATOM 215 N LEU A 17 -0.747 -3.444 -7.870 1.00 0.00 N ATOM 216 CA LEU A 17 -1.661 -4.577 -7.953 1.00 0.00 C ATOM 217 C LEU A 17 -2.629 -4.584 -6.774 1.00 0.00 C ATOM 218 O LEU A 17 -3.824 -4.828 -6.940 1.00 0.00 O ATOM 219 CB LEU A 17 -0.874 -5.889 -7.989 1.00 0.00 C ATOM 220 CG LEU A 17 -0.312 -6.298 -9.351 1.00 0.00 C ATOM 221 CD1 LEU A 17 0.715 -7.408 -9.194 1.00 0.00 C ATOM 222 CD2 LEU A 17 -1.434 -6.735 -10.281 1.00 0.00 C ATOM 0 H LEU A 17 0.236 -3.686 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.239 -4.480 -8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.045 -5.812 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.523 -6.688 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 17 0.183 -5.433 -9.792 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.103 -7.686 -10.174 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.534 -7.060 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.245 -8.276 -8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.016 -7.023 -11.246 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.958 -7.585 -9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.133 -5.911 -10.420 1.00 0.00 H new ATOM 234 N LEU A 18 -2.104 -4.313 -5.583 1.00 0.00 N ATOM 235 CA LEU A 18 -2.923 -4.285 -4.376 1.00 0.00 C ATOM 236 C LEU A 18 -3.853 -3.076 -4.376 1.00 0.00 C ATOM 237 O LEU A 18 -5.068 -3.214 -4.232 1.00 0.00 O ATOM 238 CB LEU A 18 -2.030 -4.256 -3.133 1.00 0.00 C ATOM 239 CG LEU A 18 -1.470 -5.604 -2.678 1.00 0.00 C ATOM 240 CD1 LEU A 18 -0.449 -5.411 -1.568 1.00 0.00 C ATOM 241 CD2 LEU A 18 -2.594 -6.521 -2.217 1.00 0.00 C ATOM 0 H LEU A 18 -1.117 -4.110 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.533 -5.188 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.194 -3.584 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.601 -3.826 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.970 -6.072 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.062 -6.381 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.371 -4.792 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.924 -4.921 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.177 -7.476 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.122 -6.058 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.289 -6.687 -3.040 1.00 0.00 H new ATOM 253 N LYS A 19 -3.274 -1.891 -4.541 1.00 0.00 N ATOM 254 CA LYS A 19 -4.051 -0.658 -4.565 1.00 0.00 C ATOM 255 C LYS A 19 -5.395 -0.873 -5.252 1.00 0.00 C ATOM 256 O LYS A 19 -6.403 -0.283 -4.864 1.00 0.00 O ATOM 257 CB LYS A 19 -3.270 0.447 -5.282 1.00 0.00 C ATOM 258 CG LYS A 19 -2.317 1.205 -4.375 1.00 0.00 C ATOM 259 CD LYS A 19 -0.973 0.503 -4.267 1.00 0.00 C ATOM 260 CE LYS A 19 0.155 1.493 -4.026 1.00 0.00 C ATOM 261 NZ LYS A 19 0.059 2.126 -2.681 1.00 0.00 N ATOM 0 H LYS A 19 -2.270 -1.759 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.236 -0.355 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.704 0.006 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.975 1.151 -5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.172 2.214 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.758 1.303 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.004 -0.221 -3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.779 -0.056 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.113 0.982 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.130 2.266 -4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.999 2.457 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.595 2.934 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.295 1.430 -1.994 1.00 0.00 H new ATOM 275 N ALA A 20 -5.403 -1.723 -6.275 1.00 0.00 N ATOM 276 CA ALA A 20 -6.623 -2.019 -7.013 1.00 0.00 C ATOM 277 C ALA A 20 -7.764 -2.379 -6.067 1.00 0.00 C ATOM 278 O ALA A 20 -8.804 -1.719 -6.054 1.00 0.00 O ATOM 279 CB ALA A 20 -6.381 -3.148 -8.004 1.00 0.00 C ATOM 0 H ALA A 20 -4.577 -2.218 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.911 -1.123 -7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.302 -3.358 -8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.603 -2.854 -8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.065 -4.042 -7.467 1.00 0.00 H new ATOM 285 N TYR A 21 -7.563 -3.428 -5.278 1.00 0.00 N ATOM 286 CA TYR A 21 -8.576 -3.876 -4.330 1.00 0.00 C ATOM 287 C TYR A 21 -8.865 -2.799 -3.289 1.00 0.00 C ATOM 288 O TYR A 21 -9.980 -2.283 -3.206 1.00 0.00 O ATOM 289 CB TYR A 21 -8.122 -5.163 -3.637 1.00 0.00 C ATOM 290 CG TYR A 21 -7.948 -6.330 -4.580 1.00 0.00 C ATOM 291 CD1 TYR A 21 -9.018 -7.160 -4.896 1.00 0.00 C ATOM 292 CD2 TYR A 21 -6.715 -6.605 -5.159 1.00 0.00 C ATOM 293 CE1 TYR A 21 -8.864 -8.228 -5.757 1.00 0.00 C ATOM 294 CE2 TYR A 21 -6.552 -7.670 -6.022 1.00 0.00 C ATOM 295 CZ TYR A 21 -7.629 -8.480 -6.318 1.00 0.00 C ATOM 296 OH TYR A 21 -7.471 -9.542 -7.178 1.00 0.00 O ATOM 0 H TYR A 21 -6.708 -3.984 -5.276 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.493 -4.073 -4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.178 -4.976 -3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.851 -5.430 -2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.987 -6.966 -4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.869 -5.974 -4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.706 -8.863 -5.990 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.586 -7.868 -6.463 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.541 -9.579 -7.485 1.00 0.00 H new ATOM 306 N TYR A 22 -7.851 -2.463 -2.498 1.00 0.00 N ATOM 307 CA TYR A 22 -7.994 -1.449 -1.461 1.00 0.00 C ATOM 308 C TYR A 22 -8.849 -0.284 -1.953 1.00 0.00 C ATOM 309 O TYR A 22 -9.509 0.392 -1.165 1.00 0.00 O ATOM 310 CB TYR A 22 -6.621 -0.940 -1.024 1.00 0.00 C ATOM 311 CG TYR A 22 -6.685 0.224 -0.060 1.00 0.00 C ATOM 312 CD1 TYR A 22 -7.286 0.087 1.186 1.00 0.00 C ATOM 313 CD2 TYR A 22 -6.147 1.460 -0.394 1.00 0.00 C ATOM 314 CE1 TYR A 22 -7.347 1.147 2.069 1.00 0.00 C ATOM 315 CE2 TYR A 22 -6.202 2.525 0.483 1.00 0.00 C ATOM 316 CZ TYR A 22 -6.804 2.364 1.713 1.00 0.00 C ATOM 317 OH TYR A 22 -6.863 3.423 2.590 1.00 0.00 O ATOM 0 H TYR A 22 -6.921 -2.879 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.493 -1.907 -0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.071 -1.758 -0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.056 -0.639 -1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.712 -0.864 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.677 1.591 -1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.817 1.024 3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.776 3.478 0.207 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.434 4.206 2.186 1.00 0.00 H new ATOM 327 N ALA A 23 -8.830 -0.056 -3.263 1.00 0.00 N ATOM 328 CA ALA A 23 -9.603 1.024 -3.862 1.00 0.00 C ATOM 329 C ALA A 23 -11.052 0.990 -3.386 1.00 0.00 C ATOM 330 O ALA A 23 -11.611 2.015 -2.993 1.00 0.00 O ATOM 331 CB ALA A 23 -9.540 0.939 -5.379 1.00 0.00 C ATOM 0 H ALA A 23 -8.287 -0.606 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.166 1.971 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.122 1.752 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.503 1.020 -5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.950 -0.016 -5.707 1.00 0.00 H new ATOM 337 N LEU A 24 -11.655 -0.193 -3.427 1.00 0.00 N ATOM 338 CA LEU A 24 -13.040 -0.360 -3.001 1.00 0.00 C ATOM 339 C LEU A 24 -13.111 -0.913 -1.582 1.00 0.00 C ATOM 340 O LEU A 24 -13.960 -0.507 -0.788 1.00 0.00 O ATOM 341 CB LEU A 24 -13.781 -1.293 -3.961 1.00 0.00 C ATOM 342 CG LEU A 24 -13.058 -2.588 -4.329 1.00 0.00 C ATOM 343 CD1 LEU A 24 -14.058 -3.668 -4.712 1.00 0.00 C ATOM 344 CD2 LEU A 24 -12.071 -2.346 -5.462 1.00 0.00 C ATOM 0 H LEU A 24 -11.207 -1.050 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.518 0.620 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.742 -1.551 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.992 -0.744 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.501 -2.930 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.524 -4.583 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.724 -3.862 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.643 -3.335 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.566 -3.279 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.606 -1.979 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.334 -1.606 -5.150 1.00 0.00 H new ATOM 356 N ASN A 25 -12.211 -1.839 -1.267 1.00 0.00 N ATOM 357 CA ASN A 25 -12.170 -2.446 0.058 1.00 0.00 C ATOM 358 C ASN A 25 -11.158 -1.736 0.951 1.00 0.00 C ATOM 359 O ASN A 25 -9.982 -2.098 0.986 1.00 0.00 O ATOM 360 CB ASN A 25 -11.818 -3.932 -0.049 1.00 0.00 C ATOM 361 CG ASN A 25 -12.214 -4.711 1.190 1.00 0.00 C ATOM 362 OD1 ASN A 25 -12.073 -4.226 2.313 1.00 0.00 O ATOM 363 ND2 ASN A 25 -12.712 -5.925 0.991 1.00 0.00 N ATOM 0 H ASN A 25 -11.500 -2.185 -1.912 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.158 -2.345 0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.318 -4.359 -0.918 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.746 -4.038 -0.214 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.996 -6.497 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.811 -6.286 0.042 1.00 0.00 H new ATOM 370 N ALA A 26 -11.624 -0.721 1.673 1.00 0.00 N ATOM 371 CA ALA A 26 -10.760 0.039 2.568 1.00 0.00 C ATOM 372 C ALA A 26 -10.088 -0.874 3.588 1.00 0.00 C ATOM 373 O ALA A 26 -8.869 -0.835 3.761 1.00 0.00 O ATOM 374 CB ALA A 26 -11.557 1.125 3.274 1.00 0.00 C ATOM 0 H ALA A 26 -12.594 -0.407 1.655 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.979 0.508 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.899 1.685 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.986 1.801 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.358 0.669 3.855 1.00 0.00 H new ATOM 380 N GLN A 27 -10.889 -1.693 4.261 1.00 0.00 N ATOM 381 CA GLN A 27 -10.369 -2.614 5.265 1.00 0.00 C ATOM 382 C GLN A 27 -10.913 -4.022 5.045 1.00 0.00 C ATOM 383 O GLN A 27 -11.861 -4.457 5.698 1.00 0.00 O ATOM 384 CB GLN A 27 -10.733 -2.129 6.670 1.00 0.00 C ATOM 385 CG GLN A 27 -12.195 -1.739 6.819 1.00 0.00 C ATOM 386 CD GLN A 27 -12.449 -0.286 6.474 1.00 0.00 C ATOM 387 OE1 GLN A 27 -11.541 0.545 6.522 1.00 0.00 O ATOM 388 NE2 GLN A 27 -13.690 0.031 6.122 1.00 0.00 N ATOM 0 H GLN A 27 -11.900 -1.738 4.130 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.284 -2.643 5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.500 -2.915 7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.109 -1.272 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.804 -2.373 6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.514 -1.926 7.844 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.412 -0.689 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.921 0.994 5.878 1.00 0.00 H new ATOM 397 N PRO A 28 -10.299 -4.753 4.102 1.00 0.00 N ATOM 398 CA PRO A 28 -10.704 -6.123 3.774 1.00 0.00 C ATOM 399 C PRO A 28 -10.375 -7.108 4.890 1.00 0.00 C ATOM 400 O PRO A 28 -9.298 -7.052 5.483 1.00 0.00 O ATOM 401 CB PRO A 28 -9.887 -6.443 2.520 1.00 0.00 C ATOM 402 CG PRO A 28 -8.692 -5.557 2.609 1.00 0.00 C ATOM 403 CD PRO A 28 -9.161 -4.298 3.285 1.00 0.00 C ATOM 0 HA PRO A 28 -11.781 -6.206 3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.599 -7.494 2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.459 -6.246 1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.895 -6.033 3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.291 -5.342 1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.377 -3.856 3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.463 -3.542 2.561 1.00 0.00 H new ATOM 411 N SER A 29 -11.310 -8.009 5.172 1.00 0.00 N ATOM 412 CA SER A 29 -11.121 -9.005 6.220 1.00 0.00 C ATOM 413 C SER A 29 -10.120 -10.071 5.783 1.00 0.00 C ATOM 414 O SER A 29 -9.571 -10.009 4.684 1.00 0.00 O ATOM 415 CB SER A 29 -12.456 -9.660 6.579 1.00 0.00 C ATOM 416 OG SER A 29 -13.191 -9.992 5.414 1.00 0.00 O ATOM 0 H SER A 29 -12.206 -8.070 4.689 1.00 0.00 H new ATOM 0 HA SER A 29 -10.725 -8.498 7.100 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.277 -10.559 7.168 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.041 -8.983 7.201 1.00 0.00 H new ATOM 0 HG SER A 29 -14.039 -10.411 5.671 1.00 0.00 H new ATOM 422 N ALA A 30 -9.890 -11.049 6.653 1.00 0.00 N ATOM 423 CA ALA A 30 -8.958 -12.130 6.356 1.00 0.00 C ATOM 424 C ALA A 30 -9.387 -12.899 5.111 1.00 0.00 C ATOM 425 O ALA A 30 -8.642 -12.982 4.136 1.00 0.00 O ATOM 426 CB ALA A 30 -8.845 -13.071 7.547 1.00 0.00 C ATOM 0 H ALA A 30 -10.336 -11.115 7.568 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.980 -11.690 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.146 -13.874 7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.484 -12.518 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.824 -13.496 7.769 1.00 0.00 H new ATOM 432 N GLU A 31 -10.591 -13.460 5.153 1.00 0.00 N ATOM 433 CA GLU A 31 -11.117 -14.223 4.027 1.00 0.00 C ATOM 434 C GLU A 31 -10.784 -13.540 2.704 1.00 0.00 C ATOM 435 O GLU A 31 -10.438 -14.199 1.724 1.00 0.00 O ATOM 436 CB GLU A 31 -12.632 -14.391 4.160 1.00 0.00 C ATOM 437 CG GLU A 31 -13.047 -15.277 5.322 1.00 0.00 C ATOM 438 CD GLU A 31 -12.814 -16.750 5.047 1.00 0.00 C ATOM 439 OE1 GLU A 31 -13.625 -17.351 4.311 1.00 0.00 O ATOM 440 OE2 GLU A 31 -11.821 -17.301 5.566 1.00 0.00 O ATOM 0 H GLU A 31 -11.220 -13.401 5.954 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.647 -15.207 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.089 -13.409 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.025 -14.812 3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.490 -14.985 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.103 -15.115 5.538 1.00 0.00 H new ATOM 447 N GLU A 32 -10.893 -12.215 2.685 1.00 0.00 N ATOM 448 CA GLU A 32 -10.605 -11.443 1.481 1.00 0.00 C ATOM 449 C GLU A 32 -9.100 -11.291 1.280 1.00 0.00 C ATOM 450 O GLU A 32 -8.591 -11.452 0.170 1.00 0.00 O ATOM 451 CB GLU A 32 -11.262 -10.064 1.564 1.00 0.00 C ATOM 452 CG GLU A 32 -12.753 -10.082 1.274 1.00 0.00 C ATOM 453 CD GLU A 32 -13.068 -10.540 -0.137 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.342 -10.136 -1.068 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.041 -11.304 -0.309 1.00 0.00 O ATOM 0 H GLU A 32 -11.178 -11.654 3.488 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.015 -11.982 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.099 -9.653 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.771 -9.394 0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.250 -10.742 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.161 -9.083 1.427 1.00 0.00 H new ATOM 462 N LEU A 33 -8.393 -10.978 2.360 1.00 0.00 N ATOM 463 CA LEU A 33 -6.946 -10.803 2.304 1.00 0.00 C ATOM 464 C LEU A 33 -6.274 -12.022 1.681 1.00 0.00 C ATOM 465 O LEU A 33 -5.611 -11.918 0.649 1.00 0.00 O ATOM 466 CB LEU A 33 -6.388 -10.559 3.707 1.00 0.00 C ATOM 467 CG LEU A 33 -6.497 -9.128 4.234 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.400 -9.109 5.751 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.419 -8.248 3.618 1.00 0.00 C ATOM 0 H LEU A 33 -8.799 -10.840 3.286 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.733 -9.936 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.905 -11.221 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.337 -10.848 3.713 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.470 -8.730 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.480 -8.082 6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.209 -9.704 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.442 -9.527 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.513 -7.233 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.436 -8.644 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.535 -8.235 2.534 1.00 0.00 H new ATOM 481 N SER A 34 -6.452 -13.178 2.313 1.00 0.00 N ATOM 482 CA SER A 34 -5.861 -14.417 1.822 1.00 0.00 C ATOM 483 C SER A 34 -6.082 -14.565 0.321 1.00 0.00 C ATOM 484 O SER A 34 -5.187 -14.988 -0.412 1.00 0.00 O ATOM 485 CB SER A 34 -6.457 -15.618 2.559 1.00 0.00 C ATOM 486 OG SER A 34 -5.921 -16.835 2.068 1.00 0.00 O ATOM 0 H SER A 34 -7.001 -13.282 3.166 1.00 0.00 H new ATOM 0 HA SER A 34 -4.788 -14.380 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.253 -15.532 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.541 -15.620 2.441 1.00 0.00 H new ATOM 0 HG SER A 34 -6.317 -17.587 2.556 1.00 0.00 H new ATOM 492 N LYS A 35 -7.281 -14.216 -0.132 1.00 0.00 N ATOM 493 CA LYS A 35 -7.622 -14.309 -1.547 1.00 0.00 C ATOM 494 C LYS A 35 -6.812 -13.310 -2.369 1.00 0.00 C ATOM 495 O LYS A 35 -6.048 -13.696 -3.253 1.00 0.00 O ATOM 496 CB LYS A 35 -9.118 -14.057 -1.750 1.00 0.00 C ATOM 497 CG LYS A 35 -9.701 -14.792 -2.944 1.00 0.00 C ATOM 498 CD LYS A 35 -10.942 -14.094 -3.476 1.00 0.00 C ATOM 499 CE LYS A 35 -12.203 -14.598 -2.793 1.00 0.00 C ATOM 500 NZ LYS A 35 -13.394 -13.778 -3.151 1.00 0.00 N ATOM 0 H LYS A 35 -8.034 -13.866 0.461 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.379 -15.315 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.654 -14.359 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.284 -12.987 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.952 -14.857 -3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.951 -15.813 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.849 -13.019 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.020 -14.257 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.379 -15.636 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.062 -14.581 -1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.233 -14.154 -2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.237 -12.792 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.544 -13.814 -4.179 1.00 0.00 H new ATOM 514 N ILE A 36 -6.984 -12.027 -2.069 1.00 0.00 N ATOM 515 CA ILE A 36 -6.268 -10.974 -2.778 1.00 0.00 C ATOM 516 C ILE A 36 -4.789 -11.320 -2.925 1.00 0.00 C ATOM 517 O ILE A 36 -4.150 -10.951 -3.910 1.00 0.00 O ATOM 518 CB ILE A 36 -6.398 -9.620 -2.057 1.00 0.00 C ATOM 519 CG1 ILE A 36 -7.870 -9.216 -1.948 1.00 0.00 C ATOM 520 CG2 ILE A 36 -5.602 -8.551 -2.790 1.00 0.00 C ATOM 521 CD1 ILE A 36 -8.118 -8.103 -0.955 1.00 0.00 C ATOM 0 H ILE A 36 -7.613 -11.692 -1.340 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.721 -10.894 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.992 -9.720 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.226 -8.903 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.457 -10.088 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.704 -7.600 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.551 -8.837 -2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.980 -8.449 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.182 -7.868 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.793 -8.420 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.558 -7.217 -1.254 1.00 0.00 H new ATOM 533 N ALA A 37 -4.252 -12.031 -1.939 1.00 0.00 N ATOM 534 CA ALA A 37 -2.851 -12.429 -1.960 1.00 0.00 C ATOM 535 C ALA A 37 -2.567 -13.379 -3.119 1.00 0.00 C ATOM 536 O ALA A 37 -1.708 -13.110 -3.959 1.00 0.00 O ATOM 537 CB ALA A 37 -2.466 -13.078 -0.639 1.00 0.00 C ATOM 0 H ALA A 37 -4.767 -12.343 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.247 -11.533 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.416 -13.370 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.622 -12.369 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.084 -13.961 -0.474 1.00 0.00 H new ATOM 543 N ASP A 38 -3.293 -14.491 -3.158 1.00 0.00 N ATOM 544 CA ASP A 38 -3.121 -15.480 -4.216 1.00 0.00 C ATOM 545 C ASP A 38 -3.102 -14.813 -5.588 1.00 0.00 C ATOM 546 O ASP A 38 -2.594 -15.377 -6.556 1.00 0.00 O ATOM 547 CB ASP A 38 -4.239 -16.522 -4.157 1.00 0.00 C ATOM 548 CG ASP A 38 -4.127 -17.554 -5.261 1.00 0.00 C ATOM 549 OD1 ASP A 38 -4.424 -17.212 -6.425 1.00 0.00 O ATOM 550 OD2 ASP A 38 -3.743 -18.704 -4.962 1.00 0.00 O ATOM 0 H ASP A 38 -4.006 -14.730 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.163 -15.977 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.213 -17.024 -3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.204 -16.020 -4.229 1.00 0.00 H new ATOM 555 N SER A 39 -3.659 -13.609 -5.662 1.00 0.00 N ATOM 556 CA SER A 39 -3.711 -12.866 -6.915 1.00 0.00 C ATOM 557 C SER A 39 -2.386 -12.160 -7.184 1.00 0.00 C ATOM 558 O SER A 39 -1.852 -12.218 -8.292 1.00 0.00 O ATOM 559 CB SER A 39 -4.849 -11.844 -6.881 1.00 0.00 C ATOM 560 OG SER A 39 -6.061 -12.414 -7.344 1.00 0.00 O ATOM 0 H SER A 39 -4.081 -13.127 -4.868 1.00 0.00 H new ATOM 0 HA SER A 39 -3.895 -13.576 -7.721 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.982 -11.477 -5.863 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.589 -10.984 -7.499 1.00 0.00 H new ATOM 0 HG SER A 39 -6.749 -11.718 -7.402 1.00 0.00 H new ATOM 566 N VAL A 40 -1.860 -11.494 -6.162 1.00 0.00 N ATOM 567 CA VAL A 40 -0.596 -10.776 -6.286 1.00 0.00 C ATOM 568 C VAL A 40 0.587 -11.697 -6.006 1.00 0.00 C ATOM 569 O VAL A 40 1.706 -11.235 -5.788 1.00 0.00 O ATOM 570 CB VAL A 40 -0.537 -9.575 -5.324 1.00 0.00 C ATOM 571 CG1 VAL A 40 -1.491 -8.480 -5.777 1.00 0.00 C ATOM 572 CG2 VAL A 40 -0.853 -10.015 -3.902 1.00 0.00 C ATOM 0 H VAL A 40 -2.289 -11.436 -5.238 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.536 -10.413 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 40 0.475 -9.170 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.435 -7.640 -5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.213 -8.146 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.509 -8.869 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.807 -9.154 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.853 -10.446 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.125 -10.761 -3.582 1.00 0.00 H new ATOM 582 N ASN A 41 0.331 -13.000 -6.015 1.00 0.00 N ATOM 583 CA ASN A 41 1.376 -13.986 -5.762 1.00 0.00 C ATOM 584 C ASN A 41 2.098 -13.690 -4.451 1.00 0.00 C ATOM 585 O ASN A 41 3.293 -13.952 -4.316 1.00 0.00 O ATOM 586 CB ASN A 41 2.379 -14.004 -6.918 1.00 0.00 C ATOM 587 CG ASN A 41 3.180 -15.291 -6.968 1.00 0.00 C ATOM 588 OD1 ASN A 41 3.342 -15.975 -5.957 1.00 0.00 O ATOM 589 ND2 ASN A 41 3.685 -15.627 -8.150 1.00 0.00 N ATOM 0 H ASN A 41 -0.591 -13.399 -6.195 1.00 0.00 H new ATOM 0 HA ASN A 41 0.905 -14.966 -5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.846 -13.874 -7.860 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.060 -13.159 -6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.232 -16.482 -8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.525 -15.030 -8.961 1.00 0.00 H new ATOM 596 N LEU A 42 1.364 -13.142 -3.489 1.00 0.00 N ATOM 597 CA LEU A 42 1.934 -12.810 -2.188 1.00 0.00 C ATOM 598 C LEU A 42 1.173 -13.510 -1.066 1.00 0.00 C ATOM 599 O LEU A 42 0.008 -13.880 -1.210 1.00 0.00 O ATOM 600 CB LEU A 42 1.909 -11.296 -1.969 1.00 0.00 C ATOM 601 CG LEU A 42 2.970 -10.493 -2.721 1.00 0.00 C ATOM 602 CD1 LEU A 42 2.704 -9.001 -2.588 1.00 0.00 C ATOM 603 CD2 LEU A 42 4.362 -10.836 -2.207 1.00 0.00 C ATOM 0 H LEU A 42 0.374 -12.918 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 42 2.968 -13.156 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.927 -10.923 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.022 -11.101 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 42 2.918 -10.758 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.469 -8.445 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.724 -8.768 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.728 -8.720 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.105 -10.255 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.426 -10.600 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.553 -11.899 -2.354 1.00 0.00 H new ATOM 615 N PRO A 43 1.845 -13.693 0.080 1.00 0.00 N ATOM 616 CA PRO A 43 1.251 -14.347 1.251 1.00 0.00 C ATOM 617 C PRO A 43 0.172 -13.492 1.905 1.00 0.00 C ATOM 618 O PRO A 43 -0.146 -12.402 1.429 1.00 0.00 O ATOM 619 CB PRO A 43 2.439 -14.527 2.198 1.00 0.00 C ATOM 620 CG PRO A 43 3.401 -13.458 1.805 1.00 0.00 C ATOM 621 CD PRO A 43 3.236 -13.276 0.322 1.00 0.00 C ATOM 0 HA PRO A 43 0.754 -15.281 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.135 -14.423 3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.883 -15.517 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.192 -12.530 2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.424 -13.744 2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.403 -12.241 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.942 -13.888 -0.239 1.00 0.00 H new ATOM 629 N LEU A 44 -0.389 -13.992 3.002 1.00 0.00 N ATOM 630 CA LEU A 44 -1.433 -13.274 3.723 1.00 0.00 C ATOM 631 C LEU A 44 -0.828 -12.281 4.711 1.00 0.00 C ATOM 632 O LEU A 44 -1.481 -11.321 5.119 1.00 0.00 O ATOM 633 CB LEU A 44 -2.338 -14.259 4.464 1.00 0.00 C ATOM 634 CG LEU A 44 -3.091 -13.702 5.672 1.00 0.00 C ATOM 635 CD1 LEU A 44 -4.152 -12.707 5.229 1.00 0.00 C ATOM 636 CD2 LEU A 44 -3.718 -14.830 6.477 1.00 0.00 C ATOM 0 H LEU A 44 -0.137 -14.892 3.411 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.027 -12.720 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.068 -14.653 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.730 -15.100 4.797 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.378 -13.180 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.677 -12.322 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.678 -11.882 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.863 -13.203 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.250 -14.414 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.417 -15.381 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.937 -15.504 6.828 1.00 0.00 H new ATOM 648 N ASP A 45 0.423 -12.519 5.088 1.00 0.00 N ATOM 649 CA ASP A 45 1.118 -11.644 6.025 1.00 0.00 C ATOM 650 C ASP A 45 1.626 -10.388 5.322 1.00 0.00 C ATOM 651 O ASP A 45 1.419 -9.272 5.797 1.00 0.00 O ATOM 652 CB ASP A 45 2.285 -12.384 6.679 1.00 0.00 C ATOM 653 CG ASP A 45 3.433 -12.621 5.716 1.00 0.00 C ATOM 654 OD1 ASP A 45 4.236 -11.688 5.511 1.00 0.00 O ATOM 655 OD2 ASP A 45 3.527 -13.739 5.168 1.00 0.00 O ATOM 0 H ASP A 45 0.977 -13.310 4.759 1.00 0.00 H new ATOM 0 HA ASP A 45 0.409 -11.345 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.644 -11.809 7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.934 -13.341 7.064 1.00 0.00 H new ATOM 660 N VAL A 46 2.292 -10.580 4.188 1.00 0.00 N ATOM 661 CA VAL A 46 2.830 -9.464 3.419 1.00 0.00 C ATOM 662 C VAL A 46 1.724 -8.499 3.005 1.00 0.00 C ATOM 663 O VAL A 46 1.930 -7.286 2.957 1.00 0.00 O ATOM 664 CB VAL A 46 3.567 -9.955 2.158 1.00 0.00 C ATOM 665 CG1 VAL A 46 3.830 -8.796 1.209 1.00 0.00 C ATOM 666 CG2 VAL A 46 4.866 -10.649 2.538 1.00 0.00 C ATOM 0 H VAL A 46 2.472 -11.498 3.781 1.00 0.00 H new ATOM 0 HA VAL A 46 3.538 -8.945 4.065 1.00 0.00 H new ATOM 0 HB VAL A 46 2.932 -10.677 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.351 -9.161 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.882 -8.346 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.445 -8.048 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.374 -10.990 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.508 -9.951 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.648 -11.505 3.177 1.00 0.00 H new ATOM 676 N VAL A 47 0.550 -9.046 2.707 1.00 0.00 N ATOM 677 CA VAL A 47 -0.590 -8.233 2.299 1.00 0.00 C ATOM 678 C VAL A 47 -1.205 -7.510 3.491 1.00 0.00 C ATOM 679 O VAL A 47 -1.609 -6.352 3.388 1.00 0.00 O ATOM 680 CB VAL A 47 -1.673 -9.090 1.616 1.00 0.00 C ATOM 681 CG1 VAL A 47 -2.940 -8.276 1.402 1.00 0.00 C ATOM 682 CG2 VAL A 47 -1.159 -9.647 0.297 1.00 0.00 C ATOM 0 H VAL A 47 0.363 -10.048 2.740 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.216 -7.497 1.587 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.913 -9.929 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.694 -8.897 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.317 -7.930 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.718 -7.417 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.937 -10.250 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.889 -8.824 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.282 -10.267 0.481 1.00 0.00 H new ATOM 692 N LYS A 48 -1.274 -8.201 4.624 1.00 0.00 N ATOM 693 CA LYS A 48 -1.838 -7.626 5.839 1.00 0.00 C ATOM 694 C LYS A 48 -1.101 -6.348 6.228 1.00 0.00 C ATOM 695 O LYS A 48 -1.722 -5.325 6.520 1.00 0.00 O ATOM 696 CB LYS A 48 -1.770 -8.636 6.986 1.00 0.00 C ATOM 697 CG LYS A 48 -2.978 -9.552 7.062 1.00 0.00 C ATOM 698 CD LYS A 48 -2.796 -10.630 8.118 1.00 0.00 C ATOM 699 CE LYS A 48 -4.134 -11.158 8.613 1.00 0.00 C ATOM 700 NZ LYS A 48 -3.971 -12.361 9.475 1.00 0.00 N ATOM 0 H LYS A 48 -0.946 -9.161 4.726 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.881 -7.378 5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.871 -9.242 6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.674 -8.097 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.867 -8.964 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.144 -10.018 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.210 -11.451 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.230 -10.226 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.648 -10.377 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.765 -11.406 7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.905 -12.690 9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.503 -13.116 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.390 -12.119 10.303 1.00 0.00 H new ATOM 714 N LYS A 49 0.226 -6.412 6.230 1.00 0.00 N ATOM 715 CA LYS A 49 1.048 -5.261 6.582 1.00 0.00 C ATOM 716 C LYS A 49 0.688 -4.053 5.722 1.00 0.00 C ATOM 717 O LYS A 49 0.242 -3.027 6.234 1.00 0.00 O ATOM 718 CB LYS A 49 2.531 -5.596 6.412 1.00 0.00 C ATOM 719 CG LYS A 49 3.169 -6.178 7.661 1.00 0.00 C ATOM 720 CD LYS A 49 2.956 -7.680 7.749 1.00 0.00 C ATOM 721 CE LYS A 49 3.926 -8.435 6.853 1.00 0.00 C ATOM 722 NZ LYS A 49 5.284 -8.525 7.457 1.00 0.00 N ATOM 0 H LYS A 49 0.756 -7.250 5.991 1.00 0.00 H new ATOM 0 HA LYS A 49 0.855 -5.014 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.643 -6.306 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.069 -4.692 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.237 -5.961 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.747 -5.698 8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.083 -8.007 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.932 -7.921 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.543 -9.439 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.991 -7.936 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.897 -9.104 6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.688 -7.571 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.217 -8.963 8.398 1.00 0.00 H new ATOM 736 N TRP A 50 0.883 -4.184 4.414 1.00 0.00 N ATOM 737 CA TRP A 50 0.577 -3.104 3.484 1.00 0.00 C ATOM 738 C TRP A 50 -0.720 -2.403 3.870 1.00 0.00 C ATOM 739 O TRP A 50 -0.762 -1.180 4.003 1.00 0.00 O ATOM 740 CB TRP A 50 0.474 -3.645 2.058 1.00 0.00 C ATOM 741 CG TRP A 50 0.128 -2.594 1.046 1.00 0.00 C ATOM 742 CD1 TRP A 50 0.997 -1.909 0.246 1.00 0.00 C ATOM 743 CD2 TRP A 50 -1.181 -2.107 0.731 1.00 0.00 C ATOM 744 NE1 TRP A 50 0.307 -1.026 -0.549 1.00 0.00 N ATOM 745 CE2 TRP A 50 -1.031 -1.129 -0.271 1.00 0.00 C ATOM 746 CE3 TRP A 50 -2.465 -2.403 1.195 1.00 0.00 C ATOM 747 CZ2 TRP A 50 -2.116 -0.446 -0.813 1.00 0.00 C ATOM 748 CZ3 TRP A 50 -3.541 -1.725 0.656 1.00 0.00 C ATOM 749 CH2 TRP A 50 -3.362 -0.756 -0.340 1.00 0.00 C ATOM 0 H TRP A 50 1.252 -5.027 3.974 1.00 0.00 H new ATOM 0 HA TRP A 50 1.388 -2.377 3.532 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.423 -4.106 1.783 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.282 -4.430 2.029 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.069 -2.042 0.239 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.723 -0.396 -1.235 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.614 -3.149 1.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.979 0.302 -1.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.538 -1.946 1.008 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -4.224 -0.244 -0.742 1.00 0.00 H new ATOM 760 N PHE A 51 -1.779 -3.186 4.051 1.00 0.00 N ATOM 761 CA PHE A 51 -3.080 -2.641 4.422 1.00 0.00 C ATOM 762 C PHE A 51 -2.983 -1.835 5.715 1.00 0.00 C ATOM 763 O PHE A 51 -3.374 -0.670 5.763 1.00 0.00 O ATOM 764 CB PHE A 51 -4.102 -3.767 4.585 1.00 0.00 C ATOM 765 CG PHE A 51 -4.737 -4.192 3.292 1.00 0.00 C ATOM 766 CD1 PHE A 51 -5.597 -3.342 2.616 1.00 0.00 C ATOM 767 CD2 PHE A 51 -4.475 -5.441 2.754 1.00 0.00 C ATOM 768 CE1 PHE A 51 -6.183 -3.728 1.426 1.00 0.00 C ATOM 769 CE2 PHE A 51 -5.058 -5.834 1.563 1.00 0.00 C ATOM 770 CZ PHE A 51 -5.914 -4.977 0.899 1.00 0.00 C ATOM 0 H PHE A 51 -1.761 -4.200 3.947 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.408 -1.976 3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.613 -4.628 5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.882 -3.442 5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.812 -2.366 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.808 -6.116 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.850 -3.055 0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.844 -6.810 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.372 -5.282 -0.030 1.00 0.00 H new ATOM 780 N GLU A 52 -2.459 -2.467 6.760 1.00 0.00 N ATOM 781 CA GLU A 52 -2.312 -1.811 8.055 1.00 0.00 C ATOM 782 C GLU A 52 -1.504 -0.523 7.921 1.00 0.00 C ATOM 783 O GLU A 52 -1.723 0.440 8.656 1.00 0.00 O ATOM 784 CB GLU A 52 -1.635 -2.750 9.055 1.00 0.00 C ATOM 785 CG GLU A 52 -2.602 -3.684 9.762 1.00 0.00 C ATOM 786 CD GLU A 52 -2.012 -4.288 11.022 1.00 0.00 C ATOM 787 OE1 GLU A 52 -1.208 -5.236 10.906 1.00 0.00 O ATOM 788 OE2 GLU A 52 -2.356 -3.813 12.124 1.00 0.00 O ATOM 0 H GLU A 52 -2.129 -3.432 6.736 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.307 -1.560 8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.885 -3.344 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.107 -2.155 9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.510 -3.137 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.892 -4.484 9.081 1.00 0.00 H new ATOM 795 N LYS A 53 -0.567 -0.513 6.980 1.00 0.00 N ATOM 796 CA LYS A 53 0.275 0.654 6.749 1.00 0.00 C ATOM 797 C LYS A 53 -0.497 1.746 6.016 1.00 0.00 C ATOM 798 O LYS A 53 -0.411 2.922 6.365 1.00 0.00 O ATOM 799 CB LYS A 53 1.515 0.263 5.942 1.00 0.00 C ATOM 800 CG LYS A 53 2.695 -0.155 6.804 1.00 0.00 C ATOM 801 CD LYS A 53 2.478 -1.529 7.417 1.00 0.00 C ATOM 802 CE LYS A 53 3.395 -1.756 8.610 1.00 0.00 C ATOM 803 NZ LYS A 53 4.822 -1.866 8.199 1.00 0.00 N ATOM 0 H LYS A 53 -0.371 -1.302 6.364 1.00 0.00 H new ATOM 0 HA LYS A 53 0.587 1.042 7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.258 -0.556 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.812 1.105 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.603 -0.164 6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.846 0.578 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.439 -1.629 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.659 -2.297 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.283 -0.933 9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.096 -2.666 9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.415 -2.020 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.934 -2.667 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.115 -0.988 7.725 1.00 0.00 H new ATOM 817 N MET A 54 -1.254 1.347 4.999 1.00 0.00 N ATOM 818 CA MET A 54 -2.045 2.292 4.218 1.00 0.00 C ATOM 819 C MET A 54 -3.157 2.900 5.066 1.00 0.00 C ATOM 820 O MET A 54 -3.270 4.121 5.172 1.00 0.00 O ATOM 821 CB MET A 54 -2.642 1.599 2.991 1.00 0.00 C ATOM 822 CG MET A 54 -3.412 2.538 2.077 1.00 0.00 C ATOM 823 SD MET A 54 -2.370 3.278 0.806 1.00 0.00 S ATOM 824 CE MET A 54 -3.099 2.584 -0.675 1.00 0.00 C ATOM 0 H MET A 54 -1.337 0.376 4.696 1.00 0.00 H new ATOM 0 HA MET A 54 -1.385 3.094 3.887 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.839 1.129 2.423 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.307 0.801 3.322 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.225 1.990 1.601 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.867 3.328 2.674 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.314 2.365 -1.399 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.628 1.664 -0.424 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.800 3.299 -1.105 1.00 0.00 H new ATOM 834 N GLN A 55 -3.975 2.042 5.666 1.00 0.00 N ATOM 835 CA GLN A 55 -5.079 2.496 6.503 1.00 0.00 C ATOM 836 C GLN A 55 -4.596 3.502 7.543 1.00 0.00 C ATOM 837 O GLN A 55 -5.331 4.408 7.933 1.00 0.00 O ATOM 838 CB GLN A 55 -5.743 1.306 7.198 1.00 0.00 C ATOM 839 CG GLN A 55 -6.789 0.610 6.343 1.00 0.00 C ATOM 840 CD GLN A 55 -7.044 -0.819 6.781 1.00 0.00 C ATOM 841 OE1 GLN A 55 -7.343 -1.079 7.947 1.00 0.00 O ATOM 842 NE2 GLN A 55 -6.928 -1.755 5.847 1.00 0.00 N ATOM 0 H GLN A 55 -3.894 1.028 5.588 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.810 2.987 5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.975 0.584 7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.210 1.649 8.121 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.722 1.172 6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.464 0.615 5.303 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.678 -1.495 4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.089 -2.734 6.083 1.00 0.00 H new ATOM 851 N ALA A 56 -3.354 3.335 7.987 1.00 0.00 N ATOM 852 CA ALA A 56 -2.771 4.229 8.980 1.00 0.00 C ATOM 853 C ALA A 56 -2.273 5.518 8.334 1.00 0.00 C ATOM 854 O ALA A 56 -2.242 6.571 8.968 1.00 0.00 O ATOM 855 CB ALA A 56 -1.638 3.533 9.718 1.00 0.00 C ATOM 0 H ALA A 56 -2.733 2.589 7.675 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.549 4.491 9.697 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.213 4.213 10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.022 2.646 10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.866 3.241 9.006 1.00 0.00 H new ATOM 861 N GLY A 57 -1.880 5.425 7.066 1.00 0.00 N ATOM 862 CA GLY A 57 -1.387 6.590 6.356 1.00 0.00 C ATOM 863 C GLY A 57 0.121 6.584 6.211 1.00 0.00 C ATOM 864 O GLY A 57 0.764 7.629 6.312 1.00 0.00 O ATOM 0 H GLY A 57 -1.895 4.564 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.844 6.630 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.695 7.492 6.886 1.00 0.00 H new ATOM 868 N GLN A 58 0.688 5.405 5.975 1.00 0.00 N ATOM 869 CA GLN A 58 2.132 5.269 5.819 1.00 0.00 C ATOM 870 C GLN A 58 2.505 5.078 4.353 1.00 0.00 C ATOM 871 O GLN A 58 3.408 5.740 3.841 1.00 0.00 O ATOM 872 CB GLN A 58 2.646 4.089 6.646 1.00 0.00 C ATOM 873 CG GLN A 58 2.343 4.210 8.130 1.00 0.00 C ATOM 874 CD GLN A 58 2.763 2.981 8.913 1.00 0.00 C ATOM 875 OE1 GLN A 58 1.804 2.337 9.565 1.00 0.00 O flip ATOM 876 NE2 GLN A 58 3.939 2.615 8.932 1.00 0.00 N flip ATOM 0 H GLN A 58 0.170 4.531 5.888 1.00 0.00 H new ATOM 0 HA GLN A 58 2.599 6.186 6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.202 3.169 6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.724 4.002 6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.855 5.085 8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.274 4.376 8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.645 3.140 8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.207 1.787 9.464 1.00 0.00 H new ATOM 885 N ILE A 59 1.803 4.170 3.682 1.00 0.00 N ATOM 886 CA ILE A 59 2.061 3.894 2.274 1.00 0.00 C ATOM 887 C ILE A 59 2.018 5.174 1.446 1.00 0.00 C ATOM 888 O ILE A 59 2.837 5.372 0.549 1.00 0.00 O ATOM 889 CB ILE A 59 1.042 2.891 1.701 1.00 0.00 C ATOM 890 CG1 ILE A 59 1.101 1.573 2.477 1.00 0.00 C ATOM 891 CG2 ILE A 59 1.306 2.653 0.223 1.00 0.00 C ATOM 892 CD1 ILE A 59 2.321 0.737 2.156 1.00 0.00 C ATOM 0 H ILE A 59 1.052 3.614 4.091 1.00 0.00 H new ATOM 0 HA ILE A 59 3.059 3.459 2.215 1.00 0.00 H new ATOM 0 HB ILE A 59 0.042 3.311 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.089 1.789 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.205 0.992 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.578 1.942 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.219 3.595 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.311 2.251 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.297 -0.182 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.324 0.490 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.222 1.300 2.400 1.00 0.00 H new ATOM 904 N SER A 60 1.058 6.040 1.754 1.00 0.00 N ATOM 905 CA SER A 60 0.906 7.300 1.037 1.00 0.00 C ATOM 906 C SER A 60 0.163 8.325 1.889 1.00 0.00 C ATOM 907 O SER A 60 -1.005 8.136 2.229 1.00 0.00 O ATOM 908 CB SER A 60 0.158 7.075 -0.279 1.00 0.00 C ATOM 909 OG SER A 60 0.116 8.264 -1.050 1.00 0.00 O ATOM 0 H SER A 60 0.374 5.892 2.496 1.00 0.00 H new ATOM 0 HA SER A 60 1.901 7.688 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.647 6.285 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.857 6.736 -0.071 1.00 0.00 H new ATOM 0 HG SER A 60 -0.365 8.095 -1.887 1.00 0.00 H new ATOM 915 N VAL A 61 0.851 9.410 2.232 1.00 0.00 N ATOM 916 CA VAL A 61 0.257 10.465 3.043 1.00 0.00 C ATOM 917 C VAL A 61 -1.081 10.914 2.468 1.00 0.00 C ATOM 918 O VAL A 61 -1.957 11.380 3.198 1.00 0.00 O ATOM 919 CB VAL A 61 1.192 11.684 3.151 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.424 12.302 1.781 1.00 0.00 C ATOM 921 CG2 VAL A 61 0.621 12.710 4.118 1.00 0.00 C ATOM 0 H VAL A 61 1.819 9.581 1.961 1.00 0.00 H new ATOM 0 HA VAL A 61 0.100 10.048 4.038 1.00 0.00 H new ATOM 0 HB VAL A 61 2.154 11.349 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.087 13.162 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.880 11.564 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.471 12.624 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.295 13.564 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.354 13.043 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.512 12.259 5.104 1.00 0.00 H new ATOM 931 N GLN A 62 -1.233 10.772 1.155 1.00 0.00 N ATOM 932 CA GLN A 62 -2.465 11.163 0.482 1.00 0.00 C ATOM 933 C GLN A 62 -3.346 9.948 0.208 1.00 0.00 C ATOM 934 O GLN A 62 -3.259 9.333 -0.854 1.00 0.00 O ATOM 935 CB GLN A 62 -2.147 11.884 -0.830 1.00 0.00 C ATOM 936 CG GLN A 62 -1.493 13.241 -0.635 1.00 0.00 C ATOM 937 CD GLN A 62 -0.840 13.761 -1.901 1.00 0.00 C ATOM 938 OE1 GLN A 62 0.357 13.567 -2.121 1.00 0.00 O ATOM 939 NE2 GLN A 62 -1.623 14.426 -2.742 1.00 0.00 N ATOM 0 H GLN A 62 -0.518 10.389 0.537 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.009 11.842 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.489 11.256 -1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.069 12.012 -1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.243 13.956 -0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.743 13.169 0.153 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.609 14.564 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.239 14.799 -3.610 1.00 0.00 H new ATOM 948 N SER A 63 -4.193 9.608 1.174 1.00 0.00 N ATOM 949 CA SER A 63 -5.088 8.465 1.039 1.00 0.00 C ATOM 950 C SER A 63 -6.531 8.923 0.857 1.00 0.00 C ATOM 951 O SER A 63 -6.909 10.009 1.294 1.00 0.00 O ATOM 952 CB SER A 63 -4.979 7.558 2.266 1.00 0.00 C ATOM 953 OG SER A 63 -3.718 6.913 2.313 1.00 0.00 O ATOM 0 H SER A 63 -4.278 10.108 2.059 1.00 0.00 H new ATOM 0 HA SER A 63 -4.790 7.904 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.124 8.147 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.772 6.811 2.242 1.00 0.00 H new ATOM 0 HG SER A 63 -3.005 7.584 2.264 1.00 0.00 H new ATOM 959 N SER A 64 -7.334 8.085 0.208 1.00 0.00 N ATOM 960 CA SER A 64 -8.736 8.404 -0.036 1.00 0.00 C ATOM 961 C SER A 64 -9.622 7.188 0.219 1.00 0.00 C ATOM 962 O SER A 64 -9.337 6.090 -0.257 1.00 0.00 O ATOM 963 CB SER A 64 -8.926 8.895 -1.472 1.00 0.00 C ATOM 964 OG SER A 64 -8.377 10.190 -1.644 1.00 0.00 O ATOM 0 H SER A 64 -7.037 7.180 -0.158 1.00 0.00 H new ATOM 0 HA SER A 64 -9.029 9.196 0.653 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.450 8.200 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.988 8.911 -1.717 1.00 0.00 H new ATOM 0 HG SER A 64 -8.509 10.481 -2.570 1.00 0.00 H new TER 970 SER A 64