USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 405 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 11 LYS NZ :NH3+ -110:sc= -2.47 (180deg=-7.82!) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.115) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.24 F(o=-2.4,f=-1.2) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 65:sc= 1.23 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.79 F(o=-1.5,f=-0.79) USER MOD Single : A 50 LYS NZ :NH3+ -145:sc= 1.02 (180deg=0.309) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0691 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 1.737 3.019 -5.372 1.00 54.22 N ATOM 43 CA VAL A 3 2.652 2.862 -6.496 1.00 73.43 C ATOM 44 C VAL A 3 2.234 3.738 -7.672 1.00 4.23 C ATOM 45 O VAL A 3 2.828 3.676 -8.748 1.00 33.24 O ATOM 46 CB VAL A 3 2.720 1.395 -6.963 1.00 5.33 C ATOM 47 CG1 VAL A 3 3.875 1.197 -7.933 1.00 52.02 C ATOM 48 CG2 VAL A 3 2.851 0.462 -5.768 1.00 41.33 C ATOM 0 HA VAL A 3 3.637 3.172 -6.148 1.00 73.43 H new ATOM 0 HB VAL A 3 1.794 1.154 -7.484 1.00 5.33 H new ATOM 0 HG11 VAL A 3 3.908 0.155 -8.252 1.00 52.02 H new ATOM 0 HG12 VAL A 3 3.734 1.839 -8.803 1.00 52.02 H new ATOM 0 HG13 VAL A 3 4.812 1.455 -7.440 1.00 52.02 H new ATOM 0 HG21 VAL A 3 2.898 -0.570 -6.116 1.00 41.33 H new ATOM 0 HG22 VAL A 3 3.761 0.701 -5.218 1.00 41.33 H new ATOM 0 HG23 VAL A 3 1.988 0.586 -5.114 1.00 41.33 H new ATOM 58 N GLY A 4 1.208 4.557 -7.458 1.00 24.42 N ATOM 59 CA GLY A 4 0.729 5.435 -8.509 1.00 11.35 C ATOM 60 C GLY A 4 -0.665 5.070 -8.978 1.00 54.42 C ATOM 61 O GLY A 4 -1.238 5.749 -9.831 1.00 75.30 O ATOM 0 H GLY A 4 0.701 4.628 -6.576 1.00 24.42 H new ATOM 0 HA2 GLY A 4 0.730 6.463 -8.148 1.00 11.35 H new ATOM 0 HA3 GLY A 4 1.416 5.393 -9.354 1.00 11.35 H new ATOM 65 N PHE A 5 -1.213 3.995 -8.422 1.00 62.30 N ATOM 66 CA PHE A 5 -2.548 3.539 -8.791 1.00 61.10 C ATOM 67 C PHE A 5 -3.580 4.641 -8.568 1.00 63.24 C ATOM 68 O PHE A 5 -4.671 4.609 -9.138 1.00 43.50 O ATOM 69 CB PHE A 5 -2.928 2.298 -7.981 1.00 70.52 C ATOM 70 CG PHE A 5 -4.274 2.400 -7.323 1.00 12.30 C ATOM 71 CD1 PHE A 5 -4.416 3.039 -6.102 1.00 10.22 C ATOM 72 CD2 PHE A 5 -5.398 1.857 -7.925 1.00 43.33 C ATOM 73 CE1 PHE A 5 -5.653 3.136 -5.493 1.00 74.15 C ATOM 74 CE2 PHE A 5 -6.638 1.951 -7.322 1.00 44.30 C ATOM 75 CZ PHE A 5 -6.765 2.590 -6.104 1.00 55.21 C ATOM 0 H PHE A 5 -0.753 3.423 -7.714 1.00 62.30 H new ATOM 0 HA PHE A 5 -2.538 3.284 -9.851 1.00 61.10 H new ATOM 0 HB2 PHE A 5 -2.919 1.428 -8.638 1.00 70.52 H new ATOM 0 HB3 PHE A 5 -2.171 2.127 -7.216 1.00 70.52 H new ATOM 0 HD1 PHE A 5 -3.549 3.467 -5.620 1.00 10.22 H new ATOM 0 HD2 PHE A 5 -5.304 1.355 -8.876 1.00 43.33 H new ATOM 0 HE1 PHE A 5 -5.750 3.638 -4.541 1.00 74.15 H new ATOM 0 HE2 PHE A 5 -7.507 1.525 -7.802 1.00 44.30 H new ATOM 0 HZ PHE A 5 -7.733 2.663 -5.630 1.00 55.21 H new ATOM 85 N PHE A 6 -3.227 5.614 -7.735 1.00 43.02 N ATOM 86 CA PHE A 6 -4.122 6.726 -7.435 1.00 64.41 C ATOM 87 C PHE A 6 -4.477 7.495 -8.704 1.00 13.33 C ATOM 88 O PHE A 6 -5.539 8.112 -8.793 1.00 32.12 O ATOM 89 CB PHE A 6 -3.475 7.668 -6.418 1.00 32.04 C ATOM 90 CG PHE A 6 -3.597 7.192 -4.998 1.00 55.51 C ATOM 91 CD1 PHE A 6 -4.709 7.519 -4.237 1.00 45.34 C ATOM 92 CD2 PHE A 6 -2.602 6.418 -4.425 1.00 2.33 C ATOM 93 CE1 PHE A 6 -4.823 7.084 -2.931 1.00 20.42 C ATOM 94 CE2 PHE A 6 -2.711 5.979 -3.119 1.00 1.45 C ATOM 95 CZ PHE A 6 -3.824 6.312 -2.371 1.00 64.30 C ATOM 0 H PHE A 6 -2.328 5.655 -7.256 1.00 43.02 H new ATOM 0 HA PHE A 6 -5.039 6.318 -7.010 1.00 64.41 H new ATOM 0 HB2 PHE A 6 -2.420 7.786 -6.664 1.00 32.04 H new ATOM 0 HB3 PHE A 6 -3.934 8.653 -6.503 1.00 32.04 H new ATOM 0 HD1 PHE A 6 -5.495 8.120 -4.670 1.00 45.34 H new ATOM 0 HD2 PHE A 6 -1.730 6.154 -5.006 1.00 2.33 H new ATOM 0 HE1 PHE A 6 -5.693 7.347 -2.348 1.00 20.42 H new ATOM 0 HE2 PHE A 6 -1.927 5.377 -2.684 1.00 1.45 H new ATOM 0 HZ PHE A 6 -3.913 5.969 -1.351 1.00 64.30 H new ATOM 105 N LYS A 7 -3.581 7.455 -9.684 1.00 1.34 N ATOM 106 CA LYS A 7 -3.798 8.147 -10.949 1.00 1.35 C ATOM 107 C LYS A 7 -5.046 7.620 -11.650 1.00 2.41 C ATOM 108 O LYS A 7 -5.568 8.254 -12.567 1.00 41.12 O ATOM 109 CB LYS A 7 -2.580 7.982 -11.860 1.00 24.23 C ATOM 110 CG LYS A 7 -2.584 8.917 -13.057 1.00 22.42 C ATOM 111 CD LYS A 7 -2.028 10.284 -12.698 1.00 43.42 C ATOM 112 CE LYS A 7 -0.549 10.211 -12.348 1.00 73.33 C ATOM 113 NZ LYS A 7 0.308 10.719 -13.454 1.00 45.24 N ATOM 0 H LYS A 7 -2.697 6.950 -9.626 1.00 1.34 H new ATOM 0 HA LYS A 7 -3.943 9.206 -10.735 1.00 1.35 H new ATOM 0 HB2 LYS A 7 -1.675 8.155 -11.277 1.00 24.23 H new ATOM 0 HB3 LYS A 7 -2.539 6.952 -12.214 1.00 24.23 H new ATOM 0 HG2 LYS A 7 -1.991 8.482 -13.862 1.00 22.42 H new ATOM 0 HG3 LYS A 7 -3.602 9.024 -13.433 1.00 22.42 H new ATOM 0 HD2 LYS A 7 -2.171 10.967 -13.535 1.00 43.42 H new ATOM 0 HD3 LYS A 7 -2.583 10.693 -11.854 1.00 43.42 H new ATOM 0 HE2 LYS A 7 -0.360 10.793 -11.446 1.00 73.33 H new ATOM 0 HE3 LYS A 7 -0.279 9.179 -12.124 1.00 73.33 H new ATOM 0 HZ1 LYS A 7 1.308 10.653 -13.177 1.00 45.24 H new ATOM 0 HZ2 LYS A 7 0.147 10.148 -14.308 1.00 45.24 H new ATOM 0 HZ3 LYS A 7 0.069 11.712 -13.651 1.00 45.24 H new ATOM 127 N ARG A 8 -5.519 6.459 -11.211 1.00 73.45 N ATOM 128 CA ARG A 8 -6.706 5.847 -11.797 1.00 52.34 C ATOM 129 C ARG A 8 -7.833 6.868 -11.932 1.00 62.54 C ATOM 130 O ARG A 8 -8.553 6.884 -12.930 1.00 25.41 O ATOM 131 CB ARG A 8 -7.172 4.667 -10.943 1.00 73.25 C ATOM 132 CG ARG A 8 -8.104 3.715 -11.676 1.00 50.42 C ATOM 133 CD ARG A 8 -9.555 4.152 -11.553 1.00 54.25 C ATOM 134 NE ARG A 8 -10.248 4.119 -12.839 1.00 23.40 N ATOM 135 CZ ARG A 8 -11.570 4.130 -12.962 1.00 33.11 C ATOM 136 NH1 ARG A 8 -12.339 4.174 -11.883 1.00 14.12 N ATOM 137 NH2 ARG A 8 -12.126 4.097 -14.166 1.00 52.43 N ATOM 0 H ARG A 8 -5.099 5.923 -10.452 1.00 73.45 H new ATOM 0 HA ARG A 8 -6.445 5.486 -12.792 1.00 52.34 H new ATOM 0 HB2 ARG A 8 -6.299 4.113 -10.597 1.00 73.25 H new ATOM 0 HB3 ARG A 8 -7.680 5.049 -10.057 1.00 73.25 H new ATOM 0 HG2 ARG A 8 -7.825 3.669 -12.729 1.00 50.42 H new ATOM 0 HG3 ARG A 8 -7.990 2.709 -11.272 1.00 50.42 H new ATOM 0 HD2 ARG A 8 -10.071 3.502 -10.847 1.00 54.25 H new ATOM 0 HD3 ARG A 8 -9.596 5.162 -11.145 1.00 54.25 H new ATOM 0 HE ARG A 8 -9.685 4.086 -13.689 1.00 23.40 H new ATOM 0 HH11 ARG A 8 -11.915 4.200 -10.955 1.00 14.12 H new ATOM 0 HH12 ARG A 8 -13.354 4.182 -11.980 1.00 14.12 H new ATOM 0 HH21 ARG A 8 -11.538 4.063 -14.999 1.00 52.43 H new ATOM 0 HH22 ARG A 8 -13.142 4.105 -14.259 1.00 52.43 H new ATOM 151 N ASN A 9 -7.979 7.717 -10.921 1.00 12.02 N ATOM 152 CA ASN A 9 -9.019 8.740 -10.926 1.00 61.20 C ATOM 153 C ASN A 9 -8.594 9.943 -11.762 1.00 2.43 C ATOM 154 O ASN A 9 -9.379 10.477 -12.547 1.00 32.25 O ATOM 155 CB ASN A 9 -9.334 9.183 -9.496 1.00 52.40 C ATOM 156 CG ASN A 9 -9.952 8.073 -8.669 1.00 73.41 C ATOM 157 OD1 ASN A 9 -10.590 7.166 -9.205 1.00 22.11 O ATOM 158 ND2 ASN A 9 -9.766 8.139 -7.356 1.00 11.10 N ATOM 0 H ASN A 9 -7.391 7.717 -10.088 1.00 12.02 H new ATOM 0 HA ASN A 9 -9.916 8.310 -11.371 1.00 61.20 H new ATOM 0 HB2 ASN A 9 -8.418 9.524 -9.014 1.00 52.40 H new ATOM 0 HB3 ASN A 9 -10.015 10.034 -9.524 1.00 52.40 H new ATOM 0 HD21 ASN A 9 -10.159 7.420 -6.749 1.00 11.10 H new ATOM 0 HD22 ASN A 9 -9.230 8.909 -6.955 1.00 11.10 H new ATOM 165 N LEU A 10 -7.346 10.366 -11.588 1.00 74.14 N ATOM 166 CA LEU A 10 -6.815 11.506 -12.327 1.00 13.40 C ATOM 167 C LEU A 10 -6.902 11.269 -13.831 1.00 44.02 C ATOM 168 O LEU A 10 -7.067 12.208 -14.611 1.00 20.34 O ATOM 169 CB LEU A 10 -5.364 11.769 -11.923 1.00 44.41 C ATOM 170 CG LEU A 10 -4.939 13.237 -11.863 1.00 0.12 C ATOM 171 CD1 LEU A 10 -3.423 13.355 -11.864 1.00 63.42 C ATOM 172 CD2 LEU A 10 -5.537 14.013 -13.027 1.00 40.50 C ATOM 0 H LEU A 10 -6.684 9.937 -10.942 1.00 74.14 H new ATOM 0 HA LEU A 10 -7.418 12.380 -12.081 1.00 13.40 H new ATOM 0 HB2 LEU A 10 -5.194 11.322 -10.943 1.00 44.41 H new ATOM 0 HB3 LEU A 10 -4.712 11.251 -12.627 1.00 44.41 H new ATOM 0 HG LEU A 10 -5.315 13.666 -10.934 1.00 0.12 H new ATOM 0 HD11 LEU A 10 -3.140 14.407 -11.821 1.00 63.42 H new ATOM 0 HD12 LEU A 10 -3.017 12.834 -10.997 1.00 63.42 H new ATOM 0 HD13 LEU A 10 -3.024 12.909 -12.775 1.00 63.42 H new ATOM 0 HD21 LEU A 10 -5.224 15.055 -12.968 1.00 40.50 H new ATOM 0 HD22 LEU A 10 -5.191 13.583 -13.967 1.00 40.50 H new ATOM 0 HD23 LEU A 10 -6.625 13.957 -12.981 1.00 40.50 H new ATOM 184 N LYS A 11 -6.791 10.007 -14.233 1.00 43.42 N ATOM 185 CA LYS A 11 -6.860 9.644 -15.644 1.00 4.53 C ATOM 186 C LYS A 11 -8.281 9.253 -16.036 1.00 24.41 C ATOM 187 O LYS A 11 -8.643 9.296 -17.211 1.00 34.41 O ATOM 188 CB LYS A 11 -5.900 8.490 -15.942 1.00 12.02 C ATOM 189 CG LYS A 11 -4.941 8.776 -17.084 1.00 42.01 C ATOM 190 CD LYS A 11 -4.330 10.162 -16.966 1.00 12.43 C ATOM 191 CE LYS A 11 -3.758 10.402 -15.577 1.00 42.51 C ATOM 192 NZ LYS A 11 -3.468 11.843 -15.338 1.00 41.52 N ATOM 0 H LYS A 11 -6.653 9.218 -13.601 1.00 43.42 H new ATOM 0 HA LYS A 11 -6.566 10.513 -16.233 1.00 4.53 H new ATOM 0 HB2 LYS A 11 -5.325 8.266 -15.044 1.00 12.02 H new ATOM 0 HB3 LYS A 11 -6.480 7.598 -16.180 1.00 12.02 H new ATOM 0 HG2 LYS A 11 -4.149 8.028 -17.091 1.00 42.01 H new ATOM 0 HG3 LYS A 11 -5.469 8.690 -18.034 1.00 42.01 H new ATOM 0 HD2 LYS A 11 -3.542 10.278 -17.710 1.00 12.43 H new ATOM 0 HD3 LYS A 11 -5.088 10.915 -17.184 1.00 12.43 H new ATOM 0 HE2 LYS A 11 -4.463 10.044 -14.827 1.00 42.51 H new ATOM 0 HE3 LYS A 11 -2.843 9.822 -15.456 1.00 42.51 H new ATOM 0 HZ1 LYS A 11 -2.439 11.989 -15.305 1.00 41.52 H new ATOM 0 HZ2 LYS A 11 -3.874 12.411 -16.109 1.00 41.52 H new ATOM 0 HZ3 LYS A 11 -3.889 12.136 -14.433 1.00 41.52 H new ATOM 206 N GLU A 12 -9.080 8.872 -15.044 1.00 50.41 N ATOM 207 CA GLU A 12 -10.461 8.474 -15.287 1.00 75.04 C ATOM 208 C GLU A 12 -11.173 9.491 -16.175 1.00 1.43 C ATOM 209 O GLU A 12 -12.090 9.148 -16.921 1.00 42.02 O ATOM 210 CB GLU A 12 -11.213 8.322 -13.963 1.00 4.40 C ATOM 211 CG GLU A 12 -11.876 9.605 -13.489 1.00 73.44 C ATOM 212 CD GLU A 12 -13.294 9.752 -14.005 1.00 55.43 C ATOM 213 OE1 GLU A 12 -14.121 8.857 -13.732 1.00 30.05 O ATOM 214 OE2 GLU A 12 -13.578 10.762 -14.682 1.00 41.55 O ATOM 0 H GLU A 12 -8.795 8.831 -14.066 1.00 50.41 H new ATOM 0 HA GLU A 12 -10.449 7.513 -15.802 1.00 75.04 H new ATOM 0 HB2 GLU A 12 -11.974 7.549 -14.073 1.00 4.40 H new ATOM 0 HB3 GLU A 12 -10.518 7.978 -13.197 1.00 4.40 H new ATOM 0 HG2 GLU A 12 -11.886 9.624 -12.399 1.00 73.44 H new ATOM 0 HG3 GLU A 12 -11.283 10.459 -13.817 1.00 73.44 H new ATOM 221 N LYS A 13 -10.744 10.746 -16.087 1.00 72.01 N ATOM 222 CA LYS A 13 -11.338 11.815 -16.881 1.00 42.12 C ATOM 223 C LYS A 13 -10.857 11.750 -18.327 1.00 50.13 C ATOM 224 O LYS A 13 -11.625 11.995 -19.258 1.00 73.20 O ATOM 225 CB LYS A 13 -10.992 13.179 -16.278 1.00 62.54 C ATOM 226 CG LYS A 13 -9.537 13.573 -16.462 1.00 44.10 C ATOM 227 CD LYS A 13 -9.236 14.913 -15.812 1.00 2.03 C ATOM 228 CE LYS A 13 -9.926 16.055 -16.543 1.00 24.33 C ATOM 229 NZ LYS A 13 -11.147 16.515 -15.825 1.00 44.23 N ATOM 0 H LYS A 13 -9.987 11.047 -15.474 1.00 72.01 H new ATOM 0 HA LYS A 13 -12.420 11.684 -16.870 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -11.626 13.940 -16.733 1.00 62.54 H new ATOM 0 HB3 LYS A 13 -11.224 13.166 -15.213 1.00 62.54 H new ATOM 0 HG2 LYS A 13 -8.894 12.806 -16.031 1.00 44.10 H new ATOM 0 HG3 LYS A 13 -9.304 13.623 -17.526 1.00 44.10 H new ATOM 0 HD2 LYS A 13 -9.562 14.896 -14.772 1.00 2.03 H new ATOM 0 HD3 LYS A 13 -8.159 15.082 -15.806 1.00 2.03 H new ATOM 0 HE2 LYS A 13 -9.232 16.889 -16.651 1.00 24.33 H new ATOM 0 HE3 LYS A 13 -10.196 15.732 -17.549 1.00 24.33 H new ATOM 0 HZ1 LYS A 13 -11.755 17.046 -16.480 1.00 44.23 H new ATOM 0 HZ2 LYS A 13 -11.667 15.691 -15.461 1.00 44.23 H new ATOM 0 HZ3 LYS A 13 -10.873 17.129 -15.032 1.00 44.23 H new ATOM 243 N ILE A 14 -9.583 11.418 -18.508 1.00 74.21 N ATOM 244 CA ILE A 14 -9.002 11.318 -19.841 1.00 52.22 C ATOM 245 C ILE A 14 -9.746 10.293 -20.690 1.00 55.22 C ATOM 246 O ILE A 14 -10.050 10.542 -21.856 1.00 42.14 O ATOM 247 CB ILE A 14 -7.513 10.932 -19.779 1.00 23.25 C ATOM 248 CG1 ILE A 14 -6.662 12.151 -19.415 1.00 31.41 C ATOM 249 CG2 ILE A 14 -7.062 10.342 -21.107 1.00 32.14 C ATOM 250 CD1 ILE A 14 -6.855 12.619 -17.990 1.00 35.13 C ATOM 0 H ILE A 14 -8.934 11.214 -17.748 1.00 74.21 H new ATOM 0 HA ILE A 14 -9.095 12.302 -20.300 1.00 52.22 H new ATOM 0 HB ILE A 14 -7.381 10.176 -19.005 1.00 23.25 H new ATOM 0 HG12 ILE A 14 -5.611 11.909 -19.570 1.00 31.41 H new ATOM 0 HG13 ILE A 14 -6.905 12.969 -20.093 1.00 31.41 H new ATOM 0 HG21 ILE A 14 -6.007 10.074 -21.047 1.00 32.14 H new ATOM 0 HG22 ILE A 14 -7.650 9.451 -21.328 1.00 32.14 H new ATOM 0 HG23 ILE A 14 -7.205 11.077 -21.899 1.00 32.14 H new ATOM 0 HD11 ILE A 14 -6.221 13.486 -17.803 1.00 35.13 H new ATOM 0 HD12 ILE A 14 -7.899 12.893 -17.835 1.00 35.13 H new ATOM 0 HD13 ILE A 14 -6.585 11.817 -17.304 1.00 35.13 H new ATOM 262 N GLU A 15 -10.039 9.141 -20.096 1.00 21.44 N ATOM 263 CA GLU A 15 -10.749 8.078 -20.798 1.00 10.21 C ATOM 264 C GLU A 15 -12.003 8.620 -21.478 1.00 71.53 C ATOM 265 O GLU A 15 -12.571 7.975 -22.360 1.00 43.50 O ATOM 266 CB GLU A 15 -11.126 6.958 -19.827 1.00 21.35 C ATOM 267 CG GLU A 15 -12.445 7.192 -19.109 1.00 61.35 C ATOM 268 CD GLU A 15 -12.500 6.515 -17.753 1.00 43.53 C ATOM 269 OE1 GLU A 15 -11.564 5.753 -17.433 1.00 60.33 O ATOM 270 OE2 GLU A 15 -13.477 6.749 -17.013 1.00 35.54 O ATOM 0 H GLU A 15 -9.796 8.920 -19.130 1.00 21.44 H new ATOM 0 HA GLU A 15 -10.085 7.676 -21.564 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -11.182 6.017 -20.375 1.00 21.35 H new ATOM 0 HB3 GLU A 15 -10.334 6.849 -19.087 1.00 21.35 H new ATOM 0 HG2 GLU A 15 -12.600 8.263 -18.982 1.00 61.35 H new ATOM 0 HG3 GLU A 15 -13.262 6.823 -19.729 1.00 61.35 H new ATOM 277 N ALA A 16 -12.430 9.807 -21.061 1.00 44.13 N ATOM 278 CA ALA A 16 -13.615 10.436 -21.631 1.00 2.24 C ATOM 279 C ALA A 16 -13.330 11.878 -22.036 1.00 1.42 C ATOM 280 O ALA A 16 -14.081 12.478 -22.803 1.00 74.25 O ATOM 281 CB ALA A 16 -14.768 10.382 -20.640 1.00 13.42 C ATOM 0 H ALA A 16 -11.973 10.353 -20.330 1.00 44.13 H new ATOM 0 HA ALA A 16 -13.894 9.883 -22.528 1.00 2.24 H new ATOM 0 HB1 ALA A 16 -15.647 10.855 -21.078 1.00 13.42 H new ATOM 0 HB2 ALA A 16 -14.996 9.343 -20.403 1.00 13.42 H new ATOM 0 HB3 ALA A 16 -14.489 10.909 -19.728 1.00 13.42 H new ATOM 287 N GLY A 17 -12.239 12.431 -21.514 1.00 22.44 N ATOM 288 CA GLY A 17 -11.875 13.799 -21.832 1.00 63.23 C ATOM 289 C GLY A 17 -11.149 13.912 -23.158 1.00 72.14 C ATOM 290 O GLY A 17 -11.687 13.541 -24.202 1.00 34.34 O ATOM 0 H GLY A 17 -11.601 11.955 -20.876 1.00 22.44 H new ATOM 0 HA2 GLY A 17 -12.775 14.414 -21.860 1.00 63.23 H new ATOM 0 HA3 GLY A 17 -11.241 14.197 -21.039 1.00 63.23 H new ATOM 294 N ARG A 18 -9.925 14.427 -23.119 1.00 42.22 N ATOM 295 CA ARG A 18 -9.126 14.591 -24.328 1.00 22.14 C ATOM 296 C ARG A 18 -7.644 14.377 -24.033 1.00 10.23 C ATOM 297 O ARG A 18 -6.781 14.988 -24.662 1.00 20.03 O ATOM 298 CB ARG A 18 -9.343 15.983 -24.923 1.00 44.32 C ATOM 299 CG ARG A 18 -8.737 17.102 -24.092 1.00 13.44 C ATOM 300 CD ARG A 18 -9.732 18.231 -23.868 1.00 62.05 C ATOM 301 NE ARG A 18 -9.245 19.205 -22.895 1.00 34.54 N ATOM 302 CZ ARG A 18 -10.012 20.140 -22.345 1.00 44.55 C ATOM 303 NH1 ARG A 18 -11.293 20.229 -22.673 1.00 34.33 N ATOM 304 NH2 ARG A 18 -9.496 20.990 -21.467 1.00 2.34 N ATOM 0 H ARG A 18 -9.465 14.738 -22.264 1.00 42.22 H new ATOM 0 HA ARG A 18 -9.447 13.841 -25.051 1.00 22.14 H new ATOM 0 HB2 ARG A 18 -8.913 16.012 -25.924 1.00 44.32 H new ATOM 0 HB3 ARG A 18 -10.413 16.160 -25.030 1.00 44.32 H new ATOM 0 HG2 ARG A 18 -8.411 16.707 -23.130 1.00 13.44 H new ATOM 0 HG3 ARG A 18 -7.851 17.491 -24.594 1.00 13.44 H new ATOM 0 HD2 ARG A 18 -9.930 18.733 -24.815 1.00 62.05 H new ATOM 0 HD3 ARG A 18 -10.679 17.816 -23.523 1.00 62.05 H new ATOM 0 HE ARG A 18 -8.263 19.165 -22.623 1.00 34.54 H new ATOM 0 HH11 ARG A 18 -11.693 19.579 -23.349 1.00 34.33 H new ATOM 0 HH12 ARG A 18 -11.879 20.948 -22.249 1.00 34.33 H new ATOM 0 HH21 ARG A 18 -8.510 20.926 -21.214 1.00 2.34 H new ATOM 0 HH22 ARG A 18 -10.085 21.708 -21.045 1.00 2.34 H new ATOM 318 N GLY A 19 -7.357 13.505 -23.071 1.00 1.54 N ATOM 319 CA GLY A 19 -5.979 13.227 -22.709 1.00 14.24 C ATOM 320 C GLY A 19 -5.174 14.490 -22.479 1.00 2.42 C ATOM 321 O GLY A 19 -5.730 15.586 -22.408 1.00 53.31 O ATOM 0 H GLY A 19 -8.054 12.986 -22.536 1.00 1.54 H new ATOM 0 HA2 GLY A 19 -5.960 12.618 -21.805 1.00 14.24 H new ATOM 0 HA3 GLY A 19 -5.510 12.640 -23.499 1.00 14.24 H new ATOM 325 N VAL A 20 -3.859 14.338 -22.360 1.00 45.41 N ATOM 326 CA VAL A 20 -2.975 15.476 -22.136 1.00 44.01 C ATOM 327 C VAL A 20 -2.207 15.833 -23.404 1.00 5.13 C ATOM 328 O VAL A 20 -2.375 16.908 -23.980 1.00 14.14 O ATOM 329 CB VAL A 20 -1.970 15.192 -21.003 1.00 73.04 C ATOM 330 CG1 VAL A 20 -0.713 16.029 -21.182 1.00 63.22 C ATOM 331 CG2 VAL A 20 -2.608 15.456 -19.648 1.00 11.12 C ATOM 0 H VAL A 20 -3.382 13.438 -22.415 1.00 45.41 H new ATOM 0 HA VAL A 20 -3.607 16.316 -21.849 1.00 44.01 H new ATOM 0 HB VAL A 20 -1.686 14.141 -21.047 1.00 73.04 H new ATOM 0 HG11 VAL A 20 -0.015 15.815 -20.373 1.00 63.22 H new ATOM 0 HG12 VAL A 20 -0.247 15.786 -22.137 1.00 63.22 H new ATOM 0 HG13 VAL A 20 -0.975 17.087 -21.165 1.00 63.22 H new ATOM 0 HG21 VAL A 20 -1.885 15.250 -18.859 1.00 11.12 H new ATOM 0 HG22 VAL A 20 -2.922 16.498 -19.590 1.00 11.12 H new ATOM 0 HG23 VAL A 20 -3.476 14.809 -19.522 1.00 11.12 H new ATOM 341 N PRO A 21 -1.342 14.911 -23.851 1.00 65.30 N ATOM 342 CA PRO A 21 -0.530 15.105 -25.056 1.00 73.15 C ATOM 343 C PRO A 21 -1.369 15.078 -26.330 1.00 4.21 C ATOM 344 O PRO A 21 -0.874 15.377 -27.416 1.00 12.41 O ATOM 345 CB PRO A 21 0.437 13.919 -25.028 1.00 31.10 C ATOM 346 CG PRO A 21 -0.271 12.872 -24.240 1.00 31.51 C ATOM 347 CD PRO A 21 -1.089 13.607 -23.215 1.00 32.03 C ATOM 0 HA PRO A 21 -0.035 16.076 -25.062 1.00 73.15 H new ATOM 0 HB2 PRO A 21 0.665 13.570 -26.035 1.00 31.10 H new ATOM 0 HB3 PRO A 21 1.384 14.192 -24.563 1.00 31.10 H new ATOM 0 HG2 PRO A 21 -0.907 12.263 -24.883 1.00 31.51 H new ATOM 0 HG3 PRO A 21 0.439 12.197 -23.762 1.00 31.51 H new ATOM 0 HD2 PRO A 21 -2.018 13.082 -22.991 1.00 32.03 H new ATOM 0 HD3 PRO A 21 -0.550 13.717 -22.274 1.00 32.03 H new ATOM 355 N ASN A 22 -2.640 14.718 -26.188 1.00 52.23 N ATOM 356 CA ASN A 22 -3.547 14.652 -27.328 1.00 54.53 C ATOM 357 C ASN A 22 -3.139 15.652 -28.407 1.00 32.43 C ATOM 358 O ASN A 22 -2.889 16.822 -28.121 1.00 35.11 O ATOM 359 CB ASN A 22 -4.984 14.928 -26.880 1.00 31.41 C ATOM 360 CG ASN A 22 -5.200 16.376 -26.487 1.00 3.40 C ATOM 361 OD1 ASN A 22 -4.762 16.735 -25.285 1.00 63.31 O flip ATOM 362 ND2 ASN A 22 -5.753 17.164 -27.255 1.00 74.34 N flip ATOM 0 H ASN A 22 -3.065 14.468 -25.295 1.00 52.23 H new ATOM 0 HA ASN A 22 -3.490 13.648 -27.747 1.00 54.53 H new ATOM 0 HB2 ASN A 22 -5.669 14.667 -27.687 1.00 31.41 H new ATOM 0 HB3 ASN A 22 -5.228 14.285 -26.034 1.00 31.41 H new ATOM 0 HD21 ASN A 22 -6.074 16.845 -28.169 1.00 74.34 H new ATOM 0 HD22 ASN A 22 -5.890 18.136 -26.977 1.00 74.34 H new ATOM 369 N GLY A 23 -3.074 15.181 -29.648 1.00 72.44 N ATOM 370 CA GLY A 23 -2.697 16.045 -30.751 1.00 44.30 C ATOM 371 C GLY A 23 -1.553 15.477 -31.568 1.00 11.31 C ATOM 372 O GLY A 23 -1.051 16.130 -32.483 1.00 53.44 O ATOM 0 H GLY A 23 -3.276 14.216 -29.909 1.00 72.44 H new ATOM 0 HA2 GLY A 23 -3.560 16.200 -31.399 1.00 44.30 H new ATOM 0 HA3 GLY A 23 -2.411 17.022 -30.362 1.00 44.30 H new ATOM 376 N ILE A 24 -1.139 14.259 -31.236 1.00 50.12 N ATOM 377 CA ILE A 24 -0.047 13.604 -31.946 1.00 10.43 C ATOM 378 C ILE A 24 -0.495 12.270 -32.533 1.00 41.43 C ATOM 379 O ILE A 24 -1.548 11.734 -32.188 1.00 23.32 O ATOM 380 CB ILE A 24 1.162 13.365 -31.022 1.00 14.54 C ATOM 381 CG1 ILE A 24 0.719 13.363 -29.557 1.00 11.00 C ATOM 382 CG2 ILE A 24 2.226 14.427 -31.257 1.00 22.50 C ATOM 383 CD1 ILE A 24 1.742 12.763 -28.618 1.00 14.25 C ATOM 0 H ILE A 24 -1.543 13.706 -30.480 1.00 50.12 H new ATOM 0 HA ILE A 24 0.250 14.273 -32.754 1.00 10.43 H new ATOM 0 HB ILE A 24 1.591 12.390 -31.254 1.00 14.54 H new ATOM 0 HG12 ILE A 24 0.510 14.387 -29.248 1.00 11.00 H new ATOM 0 HG13 ILE A 24 -0.214 12.807 -29.469 1.00 11.00 H new ATOM 0 HG21 ILE A 24 3.074 14.245 -30.597 1.00 22.50 H new ATOM 0 HG22 ILE A 24 2.558 14.386 -32.294 1.00 22.50 H new ATOM 0 HG23 ILE A 24 1.809 15.412 -31.048 1.00 22.50 H new ATOM 0 HD11 ILE A 24 1.361 12.795 -27.597 1.00 14.25 H new ATOM 0 HD12 ILE A 24 1.934 11.728 -28.902 1.00 14.25 H new ATOM 0 HD13 ILE A 24 2.669 13.333 -28.677 1.00 14.25 H new ATOM 395 N PRO A 25 0.323 11.720 -33.442 1.00 63.24 N ATOM 396 CA PRO A 25 0.034 10.440 -34.096 1.00 13.00 C ATOM 397 C PRO A 25 0.146 9.260 -33.136 1.00 43.52 C ATOM 398 O PRO A 25 -0.120 8.118 -33.508 1.00 42.01 O ATOM 399 CB PRO A 25 1.105 10.347 -35.185 1.00 42.41 C ATOM 400 CG PRO A 25 2.229 11.187 -34.683 1.00 60.23 C ATOM 401 CD PRO A 25 1.595 12.304 -33.902 1.00 15.01 C ATOM 0 HA PRO A 25 -0.986 10.399 -34.478 1.00 13.00 H new ATOM 0 HB2 PRO A 25 1.421 9.316 -35.343 1.00 42.41 H new ATOM 0 HB3 PRO A 25 0.731 10.715 -36.140 1.00 42.41 H new ATOM 0 HG2 PRO A 25 2.901 10.604 -34.054 1.00 60.23 H new ATOM 0 HG3 PRO A 25 2.824 11.577 -35.509 1.00 60.23 H new ATOM 0 HD2 PRO A 25 2.220 12.615 -33.065 1.00 15.01 H new ATOM 0 HD3 PRO A 25 1.431 13.185 -34.522 1.00 15.01 H new ATOM 409 N ALA A 26 0.542 9.545 -31.900 1.00 11.22 N ATOM 410 CA ALA A 26 0.687 8.508 -30.886 1.00 60.22 C ATOM 411 C ALA A 26 -0.668 7.926 -30.498 1.00 51.11 C ATOM 412 O ALA A 26 -0.746 6.841 -29.923 1.00 64.14 O ATOM 413 CB ALA A 26 1.396 9.064 -29.660 1.00 32.41 C ATOM 0 H ALA A 26 0.768 10.486 -31.577 1.00 11.22 H new ATOM 0 HA ALA A 26 1.291 7.704 -31.308 1.00 60.22 H new ATOM 0 HB1 ALA A 26 1.497 8.279 -28.911 1.00 32.41 H new ATOM 0 HB2 ALA A 26 2.385 9.425 -29.944 1.00 32.41 H new ATOM 0 HB3 ALA A 26 0.815 9.888 -29.246 1.00 32.41 H new ATOM 419 N GLU A 27 -1.733 8.656 -30.816 1.00 31.34 N ATOM 420 CA GLU A 27 -3.085 8.211 -30.498 1.00 10.12 C ATOM 421 C GLU A 27 -3.341 6.811 -31.049 1.00 52.51 C ATOM 422 O GLU A 27 -3.973 5.981 -30.395 1.00 41.23 O ATOM 423 CB GLU A 27 -4.114 9.191 -31.065 1.00 34.11 C ATOM 424 CG GLU A 27 -3.823 9.621 -32.493 1.00 10.13 C ATOM 425 CD GLU A 27 -5.015 9.437 -33.412 1.00 64.13 C ATOM 426 OE1 GLU A 27 -5.742 8.435 -33.248 1.00 41.35 O ATOM 427 OE2 GLU A 27 -5.220 10.296 -34.296 1.00 25.51 O ATOM 0 H GLU A 27 -1.686 9.557 -31.293 1.00 31.34 H new ATOM 0 HA GLU A 27 -3.184 8.179 -29.413 1.00 10.12 H new ATOM 0 HB2 GLU A 27 -5.101 8.730 -31.027 1.00 34.11 H new ATOM 0 HB3 GLU A 27 -4.150 10.075 -30.429 1.00 34.11 H new ATOM 0 HG2 GLU A 27 -3.523 10.669 -32.499 1.00 10.13 H new ATOM 0 HG3 GLU A 27 -2.981 9.046 -32.877 1.00 10.13 H new ATOM 434 N ASP A 28 -2.847 6.558 -32.256 1.00 20.13 N ATOM 435 CA ASP A 28 -3.021 5.259 -32.896 1.00 13.31 C ATOM 436 C ASP A 28 -2.267 4.173 -32.136 1.00 22.03 C ATOM 437 O ASP A 28 -2.671 3.010 -32.131 1.00 44.20 O ATOM 438 CB ASP A 28 -2.539 5.313 -34.346 1.00 63.13 C ATOM 439 CG ASP A 28 -2.910 6.613 -35.032 1.00 71.23 C ATOM 440 OD1 ASP A 28 -4.060 7.068 -34.859 1.00 73.12 O ATOM 441 OD2 ASP A 28 -2.050 7.176 -35.742 1.00 34.53 O ATOM 0 H ASP A 28 -2.323 7.235 -32.811 1.00 20.13 H new ATOM 0 HA ASP A 28 -4.083 5.015 -32.883 1.00 13.31 H new ATOM 0 HB2 ASP A 28 -1.456 5.189 -34.371 1.00 63.13 H new ATOM 0 HB3 ASP A 28 -2.968 4.478 -34.900 1.00 63.13 H new ATOM 446 N SER A 29 -1.169 4.560 -31.495 1.00 3.33 N ATOM 447 CA SER A 29 -0.355 3.619 -30.735 1.00 63.41 C ATOM 448 C SER A 29 -0.984 3.331 -29.375 1.00 63.32 C ATOM 449 O SER A 29 -1.017 2.186 -28.925 1.00 63.02 O ATOM 450 CB SER A 29 1.060 4.170 -30.549 1.00 23.43 C ATOM 451 OG SER A 29 1.358 5.151 -31.527 1.00 23.14 O ATOM 0 H SER A 29 -0.822 5.519 -31.487 1.00 3.33 H new ATOM 0 HA SER A 29 -0.303 2.686 -31.296 1.00 63.41 H new ATOM 0 HB2 SER A 29 1.157 4.603 -29.554 1.00 23.43 H new ATOM 0 HB3 SER A 29 1.782 3.356 -30.614 1.00 23.43 H new ATOM 0 HG SER A 29 2.267 5.489 -31.385 1.00 23.14 H new ATOM 457 N GLU A 30 -1.482 4.379 -28.727 1.00 24.14 N ATOM 458 CA GLU A 30 -2.109 4.239 -27.418 1.00 21.03 C ATOM 459 C GLU A 30 -3.338 3.338 -27.497 1.00 23.42 C ATOM 460 O GLU A 30 -3.726 2.713 -26.510 1.00 10.51 O ATOM 461 CB GLU A 30 -2.504 5.611 -26.868 1.00 1.15 C ATOM 462 CG GLU A 30 -1.600 6.102 -25.749 1.00 61.50 C ATOM 463 CD GLU A 30 -0.147 6.198 -26.173 1.00 31.32 C ATOM 464 OE1 GLU A 30 0.131 6.860 -27.194 1.00 71.23 O ATOM 465 OE2 GLU A 30 0.712 5.611 -25.482 1.00 32.41 O ATOM 0 H GLU A 30 -1.464 5.333 -29.087 1.00 24.14 H new ATOM 0 HA GLU A 30 -1.386 3.780 -26.744 1.00 21.03 H new ATOM 0 HB2 GLU A 30 -2.489 6.337 -27.681 1.00 1.15 H new ATOM 0 HB3 GLU A 30 -3.529 5.565 -26.501 1.00 1.15 H new ATOM 0 HG2 GLU A 30 -1.942 7.081 -25.414 1.00 61.50 H new ATOM 0 HG3 GLU A 30 -1.682 5.427 -24.897 1.00 61.50 H new ATOM 472 N GLN A 31 -3.944 3.276 -28.678 1.00 12.31 N ATOM 473 CA GLN A 31 -5.129 2.453 -28.886 1.00 34.24 C ATOM 474 C GLN A 31 -4.862 1.004 -28.490 1.00 10.41 C ATOM 475 O GLN A 31 -5.693 0.362 -27.847 1.00 73.42 O ATOM 476 CB GLN A 31 -5.574 2.521 -30.348 1.00 22.23 C ATOM 477 CG GLN A 31 -6.458 1.358 -30.770 1.00 2.44 C ATOM 478 CD GLN A 31 -7.522 1.767 -31.769 1.00 43.13 C ATOM 479 OE1 GLN A 31 -8.712 1.780 -31.456 1.00 13.44 O ATOM 480 NE2 GLN A 31 -7.097 2.104 -32.982 1.00 31.34 N ATOM 0 H GLN A 31 -3.634 3.786 -29.505 1.00 12.31 H new ATOM 0 HA GLN A 31 -5.926 2.843 -28.253 1.00 34.24 H new ATOM 0 HB2 GLN A 31 -6.113 3.454 -30.512 1.00 22.23 H new ATOM 0 HB3 GLN A 31 -4.691 2.546 -30.987 1.00 22.23 H new ATOM 0 HG2 GLN A 31 -5.838 0.575 -31.206 1.00 2.44 H new ATOM 0 HG3 GLN A 31 -6.937 0.932 -29.888 1.00 2.44 H new ATOM 0 HE21 GLN A 31 -6.101 2.079 -33.198 1.00 31.34 H new ATOM 0 HE22 GLN A 31 -7.767 2.388 -33.697 1.00 31.34 H new ATOM 489 N LEU A 32 -3.698 0.496 -28.878 1.00 22.21 N ATOM 490 CA LEU A 32 -3.320 -0.878 -28.564 1.00 13.01 C ATOM 491 C LEU A 32 -2.605 -0.952 -27.219 1.00 31.32 C ATOM 492 O LEU A 32 -2.755 -1.923 -26.477 1.00 75.05 O ATOM 493 CB LEU A 32 -2.422 -1.445 -29.664 1.00 44.13 C ATOM 494 CG LEU A 32 -3.076 -1.638 -31.033 1.00 13.23 C ATOM 495 CD1 LEU A 32 -2.265 -0.943 -32.115 1.00 50.22 C ATOM 496 CD2 LEU A 32 -3.230 -3.119 -31.347 1.00 4.24 C ATOM 0 H LEU A 32 -2.999 1.014 -29.411 1.00 22.21 H new ATOM 0 HA LEU A 32 -4.230 -1.474 -28.504 1.00 13.01 H new ATOM 0 HB2 LEU A 32 -1.565 -0.782 -29.783 1.00 44.13 H new ATOM 0 HB3 LEU A 32 -2.036 -2.408 -29.329 1.00 44.13 H new ATOM 0 HG LEU A 32 -4.068 -1.188 -31.007 1.00 13.23 H new ATOM 0 HD11 LEU A 32 -2.746 -1.091 -33.082 1.00 50.22 H new ATOM 0 HD12 LEU A 32 -2.208 0.124 -31.898 1.00 50.22 H new ATOM 0 HD13 LEU A 32 -1.259 -1.362 -32.142 1.00 50.22 H new ATOM 0 HD21 LEU A 32 -3.697 -3.237 -32.325 1.00 4.24 H new ATOM 0 HD22 LEU A 32 -2.249 -3.593 -31.354 1.00 4.24 H new ATOM 0 HD23 LEU A 32 -3.855 -3.589 -30.587 1.00 4.24 H new ATOM 508 N ALA A 33 -1.828 0.081 -26.910 1.00 33.34 N ATOM 509 CA ALA A 33 -1.093 0.134 -25.652 1.00 13.50 C ATOM 510 C ALA A 33 -2.045 0.154 -24.461 1.00 2.55 C ATOM 511 O ALA A 33 -1.813 -0.521 -23.458 1.00 11.44 O ATOM 512 CB ALA A 33 -0.184 1.354 -25.624 1.00 24.20 C ATOM 0 H ALA A 33 -1.691 0.892 -27.513 1.00 33.34 H new ATOM 0 HA ALA A 33 -0.480 -0.764 -25.579 1.00 13.50 H new ATOM 0 HB1 ALA A 33 0.359 1.382 -24.679 1.00 24.20 H new ATOM 0 HB2 ALA A 33 0.526 1.298 -26.449 1.00 24.20 H new ATOM 0 HB3 ALA A 33 -0.785 2.258 -25.724 1.00 24.20 H new ATOM 518 N SER A 34 -3.116 0.933 -24.577 1.00 45.41 N ATOM 519 CA SER A 34 -4.100 1.045 -23.507 1.00 70.32 C ATOM 520 C SER A 34 -4.757 -0.304 -23.231 1.00 73.23 C ATOM 521 O SER A 34 -4.972 -0.679 -22.079 1.00 44.03 O ATOM 522 CB SER A 34 -5.166 2.079 -23.872 1.00 54.22 C ATOM 523 OG SER A 34 -4.582 3.344 -24.133 1.00 31.34 O ATOM 0 H SER A 34 -3.324 1.496 -25.402 1.00 45.41 H new ATOM 0 HA SER A 34 -3.583 1.370 -22.604 1.00 70.32 H new ATOM 0 HB2 SER A 34 -5.718 1.742 -24.749 1.00 54.22 H new ATOM 0 HB3 SER A 34 -5.885 2.168 -23.057 1.00 54.22 H new ATOM 0 HG SER A 34 -4.015 3.284 -24.930 1.00 31.34 H new ATOM 529 N GLY A 35 -5.075 -1.030 -24.299 1.00 32.20 N ATOM 530 CA GLY A 35 -5.705 -2.329 -24.152 1.00 20.30 C ATOM 531 C GLY A 35 -4.769 -3.364 -23.559 1.00 41.31 C ATOM 532 O GLY A 35 -5.202 -4.256 -22.831 1.00 1.14 O ATOM 0 H GLY A 35 -4.907 -0.742 -25.263 1.00 32.20 H new ATOM 0 HA2 GLY A 35 -6.585 -2.233 -23.516 1.00 20.30 H new ATOM 0 HA3 GLY A 35 -6.052 -2.673 -25.126 1.00 20.30 H new ATOM 536 N GLN A 36 -3.483 -3.245 -23.873 1.00 41.22 N ATOM 537 CA GLN A 36 -2.484 -4.179 -23.368 1.00 31.12 C ATOM 538 C GLN A 36 -2.023 -3.780 -21.970 1.00 13.11 C ATOM 539 O GLN A 36 -1.652 -4.631 -21.163 1.00 4.14 O ATOM 540 CB GLN A 36 -1.285 -4.238 -24.315 1.00 62.45 C ATOM 541 CG GLN A 36 -1.333 -5.408 -25.285 1.00 62.11 C ATOM 542 CD GLN A 36 -0.127 -5.456 -26.202 1.00 45.01 C ATOM 543 OE1 GLN A 36 -0.238 -5.222 -27.406 1.00 23.31 O ATOM 544 NE2 GLN A 36 1.036 -5.760 -25.636 1.00 52.23 N ATOM 0 H GLN A 36 -3.109 -2.511 -24.475 1.00 41.22 H new ATOM 0 HA GLN A 36 -2.943 -5.166 -23.312 1.00 31.12 H new ATOM 0 HB2 GLN A 36 -1.234 -3.308 -24.882 1.00 62.45 H new ATOM 0 HB3 GLN A 36 -0.370 -4.302 -23.726 1.00 62.45 H new ATOM 0 HG2 GLN A 36 -1.394 -6.339 -24.722 1.00 62.11 H new ATOM 0 HG3 GLN A 36 -2.239 -5.339 -25.886 1.00 62.11 H new ATOM 0 HE21 GLN A 36 1.082 -5.947 -24.634 1.00 52.23 H new ATOM 0 HE22 GLN A 36 1.882 -5.807 -26.203 1.00 52.23 H new ATOM 553 N GLU A 37 -2.050 -2.480 -21.692 1.00 33.22 N ATOM 554 CA GLU A 37 -1.634 -1.969 -20.391 1.00 62.21 C ATOM 555 C GLU A 37 -2.785 -2.026 -19.390 1.00 45.24 C ATOM 556 O GLU A 37 -2.618 -1.694 -18.217 1.00 43.02 O ATOM 557 CB GLU A 37 -1.127 -0.531 -20.522 1.00 32.33 C ATOM 558 CG GLU A 37 0.319 -0.435 -20.978 1.00 53.53 C ATOM 559 CD GLU A 37 0.606 -1.295 -22.194 1.00 14.33 C ATOM 560 OE1 GLU A 37 0.671 -2.533 -22.041 1.00 51.45 O ATOM 561 OE2 GLU A 37 0.765 -0.731 -23.296 1.00 52.32 O ATOM 0 H GLU A 37 -2.355 -1.762 -22.350 1.00 33.22 H new ATOM 0 HA GLU A 37 -0.825 -2.600 -20.023 1.00 62.21 H new ATOM 0 HB2 GLU A 37 -1.759 0.005 -21.230 1.00 32.33 H new ATOM 0 HB3 GLU A 37 -1.230 -0.029 -19.560 1.00 32.33 H new ATOM 0 HG2 GLU A 37 0.555 0.604 -21.209 1.00 53.53 H new ATOM 0 HG3 GLU A 37 0.974 -0.737 -20.161 1.00 53.53 H new ATOM 568 N ALA A 38 -3.952 -2.448 -19.864 1.00 14.01 N ATOM 569 CA ALA A 38 -5.130 -2.550 -19.012 1.00 15.44 C ATOM 570 C ALA A 38 -4.772 -3.126 -17.646 1.00 71.11 C ATOM 571 O ALA A 38 -5.389 -2.787 -16.637 1.00 61.21 O ATOM 572 CB ALA A 38 -6.196 -3.403 -19.684 1.00 11.33 C ATOM 0 H ALA A 38 -4.107 -2.725 -20.833 1.00 14.01 H new ATOM 0 HA ALA A 38 -5.526 -1.546 -18.861 1.00 15.44 H new ATOM 0 HB1 ALA A 38 -7.070 -3.470 -19.036 1.00 11.33 H new ATOM 0 HB2 ALA A 38 -6.482 -2.948 -20.632 1.00 11.33 H new ATOM 0 HB3 ALA A 38 -5.801 -4.403 -19.866 1.00 11.33 H new ATOM 578 N GLY A 39 -3.771 -4.001 -17.622 1.00 43.41 N ATOM 579 CA GLY A 39 -3.348 -4.611 -16.375 1.00 15.20 C ATOM 580 C GLY A 39 -4.518 -5.102 -15.545 1.00 2.23 C ATOM 581 O GLY A 39 -5.206 -4.310 -14.901 1.00 35.12 O ATOM 0 H GLY A 39 -3.245 -4.298 -18.444 1.00 43.41 H new ATOM 0 HA2 GLY A 39 -2.683 -5.447 -16.590 1.00 15.20 H new ATOM 0 HA3 GLY A 39 -2.774 -3.887 -15.796 1.00 15.20 H new ATOM 585 N ASP A 40 -4.744 -6.411 -15.560 1.00 42.32 N ATOM 586 CA ASP A 40 -5.839 -7.007 -14.803 1.00 43.44 C ATOM 587 C ASP A 40 -5.745 -6.634 -13.327 1.00 40.41 C ATOM 588 O ASP A 40 -6.715 -6.194 -12.710 1.00 34.22 O ATOM 589 CB ASP A 40 -5.826 -8.528 -14.960 1.00 33.05 C ATOM 590 CG ASP A 40 -6.814 -9.011 -16.003 1.00 53.11 C ATOM 591 OD1 ASP A 40 -6.465 -8.996 -17.202 1.00 32.22 O ATOM 592 OD2 ASP A 40 -7.937 -9.403 -15.621 1.00 52.22 O ATOM 0 H ASP A 40 -4.184 -7.080 -16.088 1.00 42.32 H new ATOM 0 HA ASP A 40 -6.777 -6.617 -15.198 1.00 43.44 H new ATOM 0 HB2 ASP A 40 -4.823 -8.853 -15.236 1.00 33.05 H new ATOM 0 HB3 ASP A 40 -6.059 -8.991 -14.001 1.00 33.05 H new ATOM 597 N PRO A 41 -4.550 -6.813 -12.746 1.00 24.12 N ATOM 598 CA PRO A 41 -4.301 -6.502 -11.335 1.00 63.11 C ATOM 599 C PRO A 41 -4.319 -5.002 -11.060 1.00 63.41 C ATOM 600 O PRO A 41 -4.400 -4.193 -11.983 1.00 70.11 O ATOM 601 CB PRO A 41 -2.903 -7.075 -11.087 1.00 1.50 C ATOM 602 CG PRO A 41 -2.251 -7.076 -12.426 1.00 42.24 C ATOM 603 CD PRO A 41 -3.349 -7.333 -13.421 1.00 43.12 C ATOM 0 HA PRO A 41 -5.069 -6.919 -10.684 1.00 63.11 H new ATOM 0 HB2 PRO A 41 -2.346 -6.465 -10.376 1.00 1.50 H new ATOM 0 HB3 PRO A 41 -2.956 -8.081 -10.672 1.00 1.50 H new ATOM 0 HG2 PRO A 41 -1.762 -6.122 -12.623 1.00 42.24 H new ATOM 0 HG3 PRO A 41 -1.482 -7.847 -12.485 1.00 42.24 H new ATOM 0 HD2 PRO A 41 -3.164 -6.820 -14.365 1.00 43.12 H new ATOM 0 HD3 PRO A 41 -3.444 -8.395 -13.649 1.00 43.12 H new ATOM 611 N GLY A 42 -4.242 -4.638 -9.784 1.00 23.24 N ATOM 612 CA GLY A 42 -4.250 -3.236 -9.410 1.00 54.24 C ATOM 613 C GLY A 42 -2.872 -2.609 -9.478 1.00 23.42 C ATOM 614 O GLY A 42 -2.738 -1.413 -9.738 1.00 13.15 O ATOM 0 H GLY A 42 -4.174 -5.289 -9.002 1.00 23.24 H new ATOM 0 HA2 GLY A 42 -4.926 -2.691 -10.069 1.00 54.24 H new ATOM 0 HA3 GLY A 42 -4.642 -3.136 -8.398 1.00 54.24 H new ATOM 618 N CYS A 43 -1.844 -3.418 -9.242 1.00 54.32 N ATOM 619 CA CYS A 43 -0.468 -2.935 -9.275 1.00 14.11 C ATOM 620 C CYS A 43 -0.124 -2.367 -10.648 1.00 20.10 C ATOM 621 O CYS A 43 0.868 -1.654 -10.806 1.00 11.11 O ATOM 622 CB CYS A 43 0.499 -4.065 -8.920 1.00 1.35 C ATOM 623 SG CYS A 43 2.142 -3.500 -8.419 1.00 0.43 S ATOM 0 H CYS A 43 -1.938 -4.410 -9.026 1.00 54.32 H new ATOM 0 HA CYS A 43 -0.371 -2.138 -8.538 1.00 14.11 H new ATOM 0 HB2 CYS A 43 0.068 -4.657 -8.113 1.00 1.35 H new ATOM 0 HB3 CYS A 43 0.601 -4.726 -9.781 1.00 1.35 H new ATOM 0 HG CYS A 43 2.887 -4.527 -8.137 1.00 0.43 H new ATOM 629 N LEU A 44 -0.948 -2.689 -11.639 1.00 61.00 N ATOM 630 CA LEU A 44 -0.730 -2.212 -13.000 1.00 71.45 C ATOM 631 C LEU A 44 -1.432 -0.878 -13.229 1.00 52.21 C ATOM 632 O LEU A 44 -1.179 -0.192 -14.220 1.00 31.11 O ATOM 633 CB LEU A 44 -1.233 -3.246 -14.010 1.00 41.31 C ATOM 634 CG LEU A 44 -0.223 -4.311 -14.440 1.00 14.23 C ATOM 635 CD1 LEU A 44 0.817 -3.714 -15.375 1.00 31.01 C ATOM 636 CD2 LEU A 44 0.445 -4.933 -13.223 1.00 24.42 C ATOM 0 H LEU A 44 -1.773 -3.278 -11.526 1.00 61.00 H new ATOM 0 HA LEU A 44 0.341 -2.066 -13.140 1.00 71.45 H new ATOM 0 HB2 LEU A 44 -2.101 -3.748 -13.584 1.00 41.31 H new ATOM 0 HB3 LEU A 44 -1.575 -2.718 -14.900 1.00 41.31 H new ATOM 0 HG LEU A 44 -0.756 -5.095 -14.978 1.00 14.23 H new ATOM 0 HD11 LEU A 44 1.527 -4.487 -15.670 1.00 31.01 H new ATOM 0 HD12 LEU A 44 0.323 -3.317 -16.262 1.00 31.01 H new ATOM 0 HD13 LEU A 44 1.347 -2.910 -14.864 1.00 31.01 H new ATOM 0 HD21 LEU A 44 1.161 -5.689 -13.547 1.00 24.42 H new ATOM 0 HD22 LEU A 44 0.965 -4.159 -12.658 1.00 24.42 H new ATOM 0 HD23 LEU A 44 -0.311 -5.397 -12.590 1.00 24.42 H new ATOM 648 N LYS A 45 -2.314 -0.513 -12.305 1.00 35.42 N ATOM 649 CA LYS A 45 -3.052 0.741 -12.402 1.00 65.12 C ATOM 650 C LYS A 45 -2.099 1.920 -12.575 1.00 30.33 C ATOM 651 O LYS A 45 -2.328 2.821 -13.382 1.00 12.05 O ATOM 652 CB LYS A 45 -3.915 0.947 -11.155 1.00 43.24 C ATOM 653 CG LYS A 45 -5.325 1.418 -11.463 1.00 55.15 C ATOM 654 CD LYS A 45 -6.362 0.397 -11.025 1.00 52.25 C ATOM 655 CE LYS A 45 -7.473 0.254 -12.055 1.00 11.25 C ATOM 656 NZ LYS A 45 -7.841 -1.171 -12.279 1.00 34.13 N ATOM 0 H LYS A 45 -2.536 -1.069 -11.479 1.00 35.42 H new ATOM 0 HA LYS A 45 -3.698 0.687 -13.278 1.00 65.12 H new ATOM 0 HB2 LYS A 45 -3.967 0.010 -10.600 1.00 43.24 H new ATOM 0 HB3 LYS A 45 -3.431 1.676 -10.505 1.00 43.24 H new ATOM 0 HG2 LYS A 45 -5.511 2.366 -10.959 1.00 55.15 H new ATOM 0 HG3 LYS A 45 -5.423 1.601 -12.533 1.00 55.15 H new ATOM 0 HD2 LYS A 45 -5.881 -0.569 -10.871 1.00 52.25 H new ATOM 0 HD3 LYS A 45 -6.788 0.697 -10.068 1.00 52.25 H new ATOM 0 HE2 LYS A 45 -8.351 0.808 -11.722 1.00 11.25 H new ATOM 0 HE3 LYS A 45 -7.154 0.699 -12.997 1.00 11.25 H new ATOM 0 HZ1 LYS A 45 -8.601 -1.226 -12.987 1.00 34.13 H new ATOM 0 HZ2 LYS A 45 -7.010 -1.694 -12.621 1.00 34.13 H new ATOM 0 HZ3 LYS A 45 -8.170 -1.589 -11.385 1.00 34.13 H new ATOM 670 N PRO A 46 -1.003 1.915 -11.801 1.00 35.41 N ATOM 671 CA PRO A 46 0.007 2.976 -11.852 1.00 34.22 C ATOM 672 C PRO A 46 0.805 2.955 -13.151 1.00 33.40 C ATOM 673 O PRO A 46 1.304 3.986 -13.602 1.00 54.50 O ATOM 674 CB PRO A 46 0.915 2.658 -10.661 1.00 53.51 C ATOM 675 CG PRO A 46 0.754 1.194 -10.442 1.00 21.31 C ATOM 676 CD PRO A 46 -0.666 0.872 -10.817 1.00 12.20 C ATOM 0 HA PRO A 46 -0.442 3.969 -11.811 1.00 34.22 H new ATOM 0 HB2 PRO A 46 1.953 2.914 -10.875 1.00 53.51 H new ATOM 0 HB3 PRO A 46 0.622 3.225 -9.777 1.00 53.51 H new ATOM 0 HG2 PRO A 46 1.457 0.628 -11.054 1.00 21.31 H new ATOM 0 HG3 PRO A 46 0.952 0.931 -9.403 1.00 21.31 H new ATOM 0 HD2 PRO A 46 -0.752 -0.127 -11.245 1.00 12.20 H new ATOM 0 HD3 PRO A 46 -1.328 0.907 -9.952 1.00 12.20 H new ATOM 684 N LEU A 47 0.921 1.774 -13.749 1.00 4.12 N ATOM 685 CA LEU A 47 1.659 1.619 -14.998 1.00 30.42 C ATOM 686 C LEU A 47 0.749 1.848 -16.200 1.00 74.30 C ATOM 687 O LEU A 47 1.212 2.201 -17.285 1.00 22.31 O ATOM 688 CB LEU A 47 2.283 0.224 -15.074 1.00 73.15 C ATOM 689 CG LEU A 47 3.786 0.145 -14.806 1.00 50.31 C ATOM 690 CD1 LEU A 47 4.090 -0.940 -13.785 1.00 12.12 C ATOM 691 CD2 LEU A 47 4.546 -0.109 -16.100 1.00 21.25 C ATOM 0 H LEU A 47 0.514 0.911 -13.390 1.00 4.12 H new ATOM 0 HA LEU A 47 2.452 2.367 -15.019 1.00 30.42 H new ATOM 0 HB2 LEU A 47 1.772 -0.420 -14.358 1.00 73.15 H new ATOM 0 HB3 LEU A 47 2.089 -0.185 -16.065 1.00 73.15 H new ATOM 0 HG LEU A 47 4.113 1.101 -14.398 1.00 50.31 H new ATOM 0 HD11 LEU A 47 5.165 -0.981 -13.607 1.00 12.12 H new ATOM 0 HD12 LEU A 47 3.576 -0.715 -12.851 1.00 12.12 H new ATOM 0 HD13 LEU A 47 3.748 -1.903 -14.164 1.00 12.12 H new ATOM 0 HD21 LEU A 47 5.614 -0.162 -15.890 1.00 21.25 H new ATOM 0 HD22 LEU A 47 4.215 -1.051 -16.538 1.00 21.25 H new ATOM 0 HD23 LEU A 47 4.354 0.704 -16.800 1.00 21.25 H new ATOM 703 N HIS A 48 -0.550 1.647 -15.999 1.00 70.23 N ATOM 704 CA HIS A 48 -1.527 1.834 -17.066 1.00 44.34 C ATOM 705 C HIS A 48 -1.958 3.295 -17.157 1.00 70.15 C ATOM 706 O HIS A 48 -2.139 3.831 -18.250 1.00 65.23 O ATOM 707 CB HIS A 48 -2.747 0.944 -16.832 1.00 20.40 C ATOM 708 CG HIS A 48 -3.768 1.028 -17.924 1.00 75.41 C ATOM 709 ND1 HIS A 48 -3.628 1.238 -19.254 1.00 12.24 N flip ATOM 710 CD2 HIS A 48 -5.122 0.890 -17.701 1.00 3.23 C flip ATOM 711 CE1 HIS A 48 -4.886 1.223 -19.804 1.00 23.23 C flip ATOM 712 NE2 HIS A 48 -5.770 1.011 -18.846 1.00 2.11 N flip ATOM 0 H HIS A 48 -0.950 1.355 -15.107 1.00 70.23 H new ATOM 0 HA HIS A 48 -1.057 1.552 -18.008 1.00 44.34 H new ATOM 0 HB2 HIS A 48 -2.418 -0.090 -16.732 1.00 20.40 H new ATOM 0 HB3 HIS A 48 -3.214 1.223 -15.887 1.00 20.40 H new ATOM 0 HD2 HIS A 48 -5.581 0.711 -16.740 1.00 3.23 H new ATOM 0 HE1 HIS A 48 -5.115 1.362 -20.850 1.00 23.23 H new ATOM 0 HE2 HIS A 48 -6.781 0.951 -18.969 1.00 2.11 H new ATOM 720 N GLU A 49 -2.122 3.932 -16.002 1.00 61.21 N ATOM 721 CA GLU A 49 -2.534 5.330 -15.953 1.00 61.30 C ATOM 722 C GLU A 49 -1.614 6.198 -16.807 1.00 14.22 C ATOM 723 O GLU A 49 -2.069 7.104 -17.506 1.00 72.32 O ATOM 724 CB GLU A 49 -2.534 5.834 -14.508 1.00 45.14 C ATOM 725 CG GLU A 49 -1.278 5.467 -13.736 1.00 3.01 C ATOM 726 CD GLU A 49 -0.360 6.654 -13.516 1.00 12.11 C ATOM 727 OE1 GLU A 49 -0.092 7.386 -14.491 1.00 65.14 O ATOM 728 OE2 GLU A 49 0.089 6.851 -12.367 1.00 40.13 O ATOM 0 H GLU A 49 -1.976 3.503 -15.088 1.00 61.21 H new ATOM 0 HA GLU A 49 -3.545 5.399 -16.354 1.00 61.30 H new ATOM 0 HB2 GLU A 49 -2.645 6.918 -14.510 1.00 45.14 H new ATOM 0 HB3 GLU A 49 -3.401 5.426 -13.990 1.00 45.14 H new ATOM 0 HG2 GLU A 49 -1.559 5.046 -12.771 1.00 3.01 H new ATOM 0 HG3 GLU A 49 -0.738 4.690 -14.277 1.00 3.01 H new ATOM 735 N LYS A 50 -0.317 5.916 -16.744 1.00 35.01 N ATOM 736 CA LYS A 50 0.668 6.669 -17.511 1.00 11.15 C ATOM 737 C LYS A 50 0.306 6.688 -18.992 1.00 61.22 C ATOM 738 O LYS A 50 0.367 7.731 -19.643 1.00 2.33 O ATOM 739 CB LYS A 50 2.061 6.065 -17.323 1.00 22.45 C ATOM 740 CG LYS A 50 2.944 6.177 -18.553 1.00 61.13 C ATOM 741 CD LYS A 50 3.211 7.628 -18.918 1.00 34.31 C ATOM 742 CE LYS A 50 3.657 7.766 -20.365 1.00 60.34 C ATOM 743 NZ LYS A 50 2.633 8.456 -21.198 1.00 63.42 N ATOM 0 H LYS A 50 0.076 5.171 -16.169 1.00 35.01 H new ATOM 0 HA LYS A 50 0.671 7.695 -17.143 1.00 11.15 H new ATOM 0 HB2 LYS A 50 2.553 6.561 -16.487 1.00 22.45 H new ATOM 0 HB3 LYS A 50 1.959 5.014 -17.054 1.00 22.45 H new ATOM 0 HG2 LYS A 50 3.890 5.667 -18.371 1.00 61.13 H new ATOM 0 HG3 LYS A 50 2.466 5.672 -19.392 1.00 61.13 H new ATOM 0 HD2 LYS A 50 2.308 8.217 -18.757 1.00 34.31 H new ATOM 0 HD3 LYS A 50 3.978 8.035 -18.259 1.00 34.31 H new ATOM 0 HE2 LYS A 50 4.593 8.323 -20.405 1.00 60.34 H new ATOM 0 HE3 LYS A 50 3.856 6.778 -20.779 1.00 60.34 H new ATOM 0 HZ1 LYS A 50 2.633 8.050 -22.156 1.00 63.42 H new ATOM 0 HZ2 LYS A 50 1.694 8.330 -20.769 1.00 63.42 H new ATOM 0 HZ3 LYS A 50 2.856 9.470 -21.252 1.00 63.42 H new ATOM 757 N ASP A 51 -0.072 5.528 -19.519 1.00 2.22 N ATOM 758 CA ASP A 51 -0.446 5.412 -20.923 1.00 52.24 C ATOM 759 C ASP A 51 -1.855 5.949 -21.156 1.00 40.04 C ATOM 760 O ASP A 51 -2.236 6.250 -22.288 1.00 32.44 O ATOM 761 CB ASP A 51 -0.361 3.954 -21.377 1.00 51.02 C ATOM 762 CG ASP A 51 0.748 3.194 -20.678 1.00 23.25 C ATOM 763 OD1 ASP A 51 1.928 3.413 -21.024 1.00 62.31 O ATOM 764 OD2 ASP A 51 0.437 2.380 -19.783 1.00 12.52 O ATOM 0 H ASP A 51 -0.127 4.655 -18.994 1.00 2.22 H new ATOM 0 HA ASP A 51 0.253 6.008 -21.510 1.00 52.24 H new ATOM 0 HB2 ASP A 51 -1.313 3.460 -21.184 1.00 51.02 H new ATOM 0 HB3 ASP A 51 -0.197 3.921 -22.454 1.00 51.02 H new ATOM 769 N SER A 52 -2.624 6.066 -20.079 1.00 31.23 N ATOM 770 CA SER A 52 -3.993 6.562 -20.166 1.00 64.42 C ATOM 771 C SER A 52 -4.010 8.056 -20.474 1.00 34.20 C ATOM 772 O SER A 52 -4.878 8.540 -21.201 1.00 25.25 O ATOM 773 CB SER A 52 -4.741 6.289 -18.860 1.00 3.53 C ATOM 774 OG SER A 52 -5.225 4.958 -18.817 1.00 41.40 O ATOM 0 H SER A 52 -2.323 5.824 -19.135 1.00 31.23 H new ATOM 0 HA SER A 52 -4.494 6.036 -20.979 1.00 64.42 H new ATOM 0 HB2 SER A 52 -4.077 6.465 -18.014 1.00 3.53 H new ATOM 0 HB3 SER A 52 -5.574 6.985 -18.762 1.00 3.53 H new ATOM 0 HG SER A 52 -5.698 4.809 -17.972 1.00 41.40 H new ATOM 780 N GLU A 53 -3.046 8.780 -19.915 1.00 50.31 N ATOM 781 CA GLU A 53 -2.951 10.220 -20.129 1.00 33.41 C ATOM 782 C GLU A 53 -2.836 10.542 -21.616 1.00 1.31 C ATOM 783 O GLU A 53 -3.411 11.518 -22.097 1.00 14.54 O ATOM 784 CB GLU A 53 -1.748 10.791 -19.377 1.00 5.21 C ATOM 785 CG GLU A 53 -2.050 12.083 -18.637 1.00 43.51 C ATOM 786 CD GLU A 53 -1.291 12.198 -17.329 1.00 34.21 C ATOM 787 OE1 GLU A 53 -1.098 11.159 -16.663 1.00 60.23 O ATOM 788 OE2 GLU A 53 -0.892 13.325 -16.971 1.00 2.24 O ATOM 0 H GLU A 53 -2.320 8.394 -19.311 1.00 50.31 H new ATOM 0 HA GLU A 53 -3.861 10.680 -19.745 1.00 33.41 H new ATOM 0 HB2 GLU A 53 -1.390 10.049 -18.663 1.00 5.21 H new ATOM 0 HB3 GLU A 53 -0.938 10.968 -20.085 1.00 5.21 H new ATOM 0 HG2 GLU A 53 -1.797 12.930 -19.275 1.00 43.51 H new ATOM 0 HG3 GLU A 53 -3.120 12.142 -18.438 1.00 43.51 H new ATOM 795 N SER A 54 -2.088 9.715 -22.339 1.00 25.04 N ATOM 796 CA SER A 54 -1.892 9.914 -23.770 1.00 33.20 C ATOM 797 C SER A 54 -3.033 9.287 -24.566 1.00 50.21 C ATOM 798 O SER A 54 -3.420 9.791 -25.620 1.00 1.15 O ATOM 799 CB SER A 54 -0.557 9.313 -24.212 1.00 45.32 C ATOM 800 OG SER A 54 0.098 8.674 -23.130 1.00 45.23 O ATOM 0 H SER A 54 -1.608 8.900 -21.957 1.00 25.04 H new ATOM 0 HA SER A 54 -1.882 10.986 -23.965 1.00 33.20 H new ATOM 0 HB2 SER A 54 -0.726 8.595 -25.014 1.00 45.32 H new ATOM 0 HB3 SER A 54 0.083 10.098 -24.616 1.00 45.32 H new ATOM 0 HG SER A 54 0.948 8.297 -23.439 1.00 45.23 H new ATOM 806 N GLY A 55 -3.568 8.183 -24.053 1.00 43.02 N ATOM 807 CA GLY A 55 -4.659 7.504 -24.728 1.00 44.52 C ATOM 808 C GLY A 55 -5.867 8.399 -24.922 1.00 3.32 C ATOM 809 O GLY A 55 -6.732 8.116 -25.749 1.00 64.25 O ATOM 0 H GLY A 55 -3.265 7.747 -23.182 1.00 43.02 H new ATOM 0 HA2 GLY A 55 -4.315 7.147 -25.699 1.00 44.52 H new ATOM 0 HA3 GLY A 55 -4.950 6.627 -24.150 1.00 44.52 H new ATOM 813 N GLY A 56 -5.928 9.484 -24.155 1.00 25.55 N ATOM 814 CA GLY A 56 -7.044 10.405 -24.260 1.00 4.13 C ATOM 815 C GLY A 56 -7.190 10.981 -25.654 1.00 55.01 C ATOM 816 O GLY A 56 -8.304 11.165 -26.143 1.00 52.21 O ATOM 0 H GLY A 56 -5.224 9.741 -23.463 1.00 25.55 H new ATOM 0 HA2 GLY A 56 -7.964 9.889 -23.985 1.00 4.13 H new ATOM 0 HA3 GLY A 56 -6.909 11.218 -23.547 1.00 4.13 H new ATOM 820 N GLY A 57 -6.062 11.268 -26.296 1.00 51.13 N ATOM 821 CA GLY A 57 -6.092 11.826 -27.636 1.00 31.52 C ATOM 822 C GLY A 57 -6.869 10.959 -28.607 1.00 13.20 C ATOM 823 O GLY A 57 -7.609 11.468 -29.450 1.00 64.41 O ATOM 0 H GLY A 57 -5.128 11.124 -25.913 1.00 51.13 H new ATOM 0 HA2 GLY A 57 -6.539 12.820 -27.603 1.00 31.52 H new ATOM 0 HA3 GLY A 57 -5.071 11.948 -27.999 1.00 31.52 H new ATOM 827 N LYS A 58 -6.702 9.646 -28.491 1.00 3.31 N ATOM 828 CA LYS A 58 -7.392 8.706 -29.365 1.00 75.03 C ATOM 829 C LYS A 58 -8.817 8.457 -28.879 1.00 63.33 C ATOM 830 O LYS A 58 -9.700 8.115 -29.666 1.00 11.12 O ATOM 831 CB LYS A 58 -6.626 7.383 -29.432 1.00 73.15 C ATOM 832 CG LYS A 58 -7.033 6.503 -30.602 1.00 0.20 C ATOM 833 CD LYS A 58 -8.173 5.571 -30.228 1.00 60.33 C ATOM 834 CE LYS A 58 -9.095 5.316 -31.411 1.00 14.33 C ATOM 835 NZ LYS A 58 -10.499 5.071 -30.977 1.00 25.43 N ATOM 0 H LYS A 58 -6.094 9.209 -27.799 1.00 3.31 H new ATOM 0 HA LYS A 58 -7.438 9.143 -30.363 1.00 75.03 H new ATOM 0 HB2 LYS A 58 -5.559 7.594 -29.501 1.00 73.15 H new ATOM 0 HB3 LYS A 58 -6.783 6.834 -28.503 1.00 73.15 H new ATOM 0 HG2 LYS A 58 -7.334 7.129 -31.442 1.00 0.20 H new ATOM 0 HG3 LYS A 58 -6.176 5.917 -30.933 1.00 0.20 H new ATOM 0 HD2 LYS A 58 -7.768 4.624 -29.870 1.00 60.33 H new ATOM 0 HD3 LYS A 58 -8.744 6.004 -29.407 1.00 60.33 H new ATOM 0 HE2 LYS A 58 -9.067 6.173 -32.084 1.00 14.33 H new ATOM 0 HE3 LYS A 58 -8.734 4.456 -31.974 1.00 14.33 H new ATOM 0 HZ1 LYS A 58 -11.096 4.902 -31.812 1.00 25.43 H new ATOM 0 HZ2 LYS A 58 -10.530 4.238 -30.355 1.00 25.43 H new ATOM 0 HZ3 LYS A 58 -10.853 5.902 -30.461 1.00 25.43 H new ATOM 849 N ASP A 59 -9.033 8.631 -27.580 1.00 65.22 N ATOM 850 CA ASP A 59 -10.350 8.427 -26.990 1.00 55.20 C ATOM 851 C ASP A 59 -11.279 9.592 -27.320 1.00 33.43 C ATOM 852 O ASP A 59 -12.484 9.409 -27.492 1.00 64.30 O ATOM 853 CB ASP A 59 -10.234 8.265 -25.474 1.00 32.13 C ATOM 854 CG ASP A 59 -11.465 8.763 -24.742 1.00 1.30 C ATOM 855 OD1 ASP A 59 -12.553 8.189 -24.953 1.00 73.10 O ATOM 856 OD2 ASP A 59 -11.340 9.728 -23.959 1.00 1.40 O ATOM 0 H ASP A 59 -8.312 8.913 -26.915 1.00 65.22 H new ATOM 0 HA ASP A 59 -10.774 7.516 -27.413 1.00 55.20 H new ATOM 0 HB2 ASP A 59 -10.074 7.214 -25.235 1.00 32.13 H new ATOM 0 HB3 ASP A 59 -9.359 8.810 -25.119 1.00 32.13 H new ATOM 861 N GLY A 60 -10.710 10.790 -27.405 1.00 13.42 N ATOM 862 CA GLY A 60 -11.502 11.967 -27.712 1.00 50.12 C ATOM 863 C GLY A 60 -11.734 12.137 -29.200 1.00 41.44 C ATOM 864 O GLY A 60 -12.764 12.667 -29.618 1.00 64.02 O ATOM 0 H GLY A 60 -9.715 10.967 -27.267 1.00 13.42 H new ATOM 0 HA2 GLY A 60 -12.463 11.897 -27.203 1.00 50.12 H new ATOM 0 HA3 GLY A 60 -10.999 12.852 -27.322 1.00 50.12 H new