USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 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 27 SER OG : rot 107:sc= 0.439 USER MOD Set 1.2: A 29 GLN : amide:sc= 0.436 K(o=0.88,f=1.8) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -177:sc= 0.856! (180deg=0.773!) USER MOD Set 2.2: A 55 THR OG1 : rot -7:sc= 0.264 USER MOD Single : A 4 ASN : amide:sc= -1.79 X(o=-1.8,f=-2.2!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 7 LYS NZ :NH3+ 131:sc= 0.758 (180deg=0.0466) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= -0.0452 (180deg=-0.422) USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= 0.752 (180deg=-0.765!) USER MOD Single : A 16 SER OG : rot 84:sc= 0.834 USER MOD Single : A 17 GLN : amide:sc= -0.0486 K(o=-0.049,f=-1.9) USER MOD Single : A 18 SER OG : rot 180:sc= 0.18 USER MOD Single : A 30 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 32 ASN : amide:sc= -3.19! X(o=-3.2!,f=-3.3) USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= -0.377 (180deg=-2.4!) USER MOD Single : A 37 ASN : amide:sc= -2.78! K(o=-2.8!,f=-0.48) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 40 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.55) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.024) USER MOD Single : A 48 LYS NZ :NH3+ 140:sc= 1.08 (180deg=0.824) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.402 K(o=0.4,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -0.901 -1.276 -5.412 1.00 0.00 N ATOM 57 CA ASN A 4 -1.458 -2.295 -4.539 1.00 0.00 C ATOM 58 C ASN A 4 -1.371 -3.668 -5.193 1.00 0.00 C ATOM 59 O ASN A 4 -2.362 -4.191 -5.708 1.00 0.00 O ATOM 60 CB ASN A 4 -2.929 -1.942 -4.247 1.00 0.00 C ATOM 61 CG ASN A 4 -3.047 -0.502 -3.731 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.196 -0.040 -2.977 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.052 0.233 -4.096 1.00 0.00 N ATOM 0 HA ASN A 4 -0.889 -2.327 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.523 -2.059 -5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.335 -2.633 -3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.133 1.191 -3.756 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.761 -0.148 -4.723 1.00 0.00 H new ATOM 70 N ASN A 5 -0.177 -4.241 -5.198 1.00 0.00 N ATOM 71 CA ASN A 5 0.059 -5.517 -5.882 1.00 0.00 C ATOM 72 C ASN A 5 -0.001 -6.698 -4.921 1.00 0.00 C ATOM 73 O ASN A 5 0.730 -7.676 -5.087 1.00 0.00 O ATOM 74 CB ASN A 5 1.419 -5.522 -6.584 1.00 0.00 C ATOM 75 CG ASN A 5 1.532 -4.389 -7.587 1.00 0.00 C ATOM 76 OD1 ASN A 5 0.560 -4.064 -8.289 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.665 -3.768 -7.706 1.00 0.00 N ATOM 0 H ASN A 5 0.646 -3.849 -4.739 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.736 -5.623 -6.620 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.213 -5.433 -5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.563 -6.475 -7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.762 -3.008 -8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.459 -4.040 -7.126 1.00 0.00 H new ATOM 84 N LEU A 6 -0.869 -6.624 -3.933 1.00 0.00 N ATOM 85 CA LEU A 6 -0.972 -7.708 -2.950 1.00 0.00 C ATOM 86 C LEU A 6 -1.355 -9.027 -3.588 1.00 0.00 C ATOM 87 O LEU A 6 -0.852 -10.077 -3.206 1.00 0.00 O ATOM 88 CB LEU A 6 -1.973 -7.362 -1.834 1.00 0.00 C ATOM 89 CG LEU A 6 -2.260 -8.625 -0.993 1.00 0.00 C ATOM 90 CD1 LEU A 6 -0.979 -9.212 -0.419 1.00 0.00 C ATOM 91 CD2 LEU A 6 -3.205 -8.297 0.145 1.00 0.00 C ATOM 0 H LEU A 6 -1.508 -5.843 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 6 0.021 -7.819 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.569 -6.573 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.899 -6.981 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.718 -9.360 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.216 -10.100 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.307 -9.484 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.495 -8.474 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.398 -9.197 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.754 -7.539 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.144 -7.919 -0.259 1.00 0.00 H new ATOM 103 N LYS A 7 -2.321 -8.981 -4.454 1.00 0.00 N ATOM 104 CA LYS A 7 -2.907 -10.177 -5.024 1.00 0.00 C ATOM 105 C LYS A 7 -1.875 -11.261 -5.282 1.00 0.00 C ATOM 106 O LYS A 7 -2.046 -12.391 -4.830 1.00 0.00 O ATOM 107 CB LYS A 7 -3.636 -9.845 -6.326 1.00 0.00 C ATOM 108 CG LYS A 7 -2.888 -8.754 -7.131 1.00 0.00 C ATOM 109 CD LYS A 7 -3.131 -7.371 -6.523 1.00 0.00 C ATOM 110 CE LYS A 7 -3.478 -6.384 -7.636 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.785 -6.766 -8.224 1.00 0.00 N ATOM 0 H LYS A 7 -2.734 -8.112 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.616 -10.561 -4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.730 -10.746 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.647 -9.505 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.820 -8.970 -7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.224 -8.765 -8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.942 -7.418 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.243 -7.035 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.525 -5.370 -7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.703 -6.392 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.399 -5.928 -8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.637 -7.150 -9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.237 -7.488 -7.627 1.00 0.00 H new ATOM 125 N LEU A 8 -0.802 -10.911 -5.985 1.00 0.00 N ATOM 126 CA LEU A 8 0.231 -11.881 -6.351 1.00 0.00 C ATOM 127 C LEU A 8 0.850 -12.475 -5.106 1.00 0.00 C ATOM 128 O LEU A 8 0.985 -13.689 -4.977 1.00 0.00 O ATOM 129 CB LEU A 8 1.341 -11.151 -7.129 1.00 0.00 C ATOM 130 CG LEU A 8 0.848 -10.664 -8.516 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.371 -11.469 -8.998 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.478 -9.177 -8.440 1.00 0.00 C ATOM 0 H LEU A 8 -0.623 -9.962 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.219 -12.670 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.691 -10.298 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.192 -11.819 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 8 1.658 -10.813 -9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.689 -11.100 -9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.103 -12.522 -9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.187 -11.356 -8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.132 -8.838 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.315 -9.036 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.354 -8.599 -8.144 1.00 0.00 H new ATOM 144 N ILE A 9 1.196 -11.602 -4.201 1.00 0.00 N ATOM 145 CA ILE A 9 1.777 -11.957 -2.931 1.00 0.00 C ATOM 146 C ILE A 9 0.760 -12.716 -2.103 1.00 0.00 C ATOM 147 O ILE A 9 1.070 -13.714 -1.456 1.00 0.00 O ATOM 148 CB ILE A 9 2.175 -10.657 -2.258 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.299 -10.045 -3.093 1.00 0.00 C ATOM 150 CG2 ILE A 9 2.691 -10.943 -0.846 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.386 -8.567 -2.834 1.00 0.00 C ATOM 0 H ILE A 9 1.080 -10.597 -4.327 1.00 0.00 H new ATOM 0 HA ILE A 9 2.647 -12.603 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 9 1.323 -9.981 -2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.247 -10.522 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.117 -10.227 -4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.976 -10.007 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.907 -11.426 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.559 -11.601 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.190 -8.139 -3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.442 -8.094 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.590 -8.394 -1.777 1.00 0.00 H new ATOM 163 N ARG A 10 -0.448 -12.220 -2.108 1.00 0.00 N ATOM 164 CA ARG A 10 -1.508 -12.850 -1.372 1.00 0.00 C ATOM 165 C ARG A 10 -1.791 -14.240 -1.939 1.00 0.00 C ATOM 166 O ARG A 10 -1.829 -15.232 -1.197 1.00 0.00 O ATOM 167 CB ARG A 10 -2.759 -11.960 -1.403 1.00 0.00 C ATOM 168 CG ARG A 10 -3.976 -12.769 -1.002 1.00 0.00 C ATOM 169 CD ARG A 10 -4.759 -13.126 -2.262 1.00 0.00 C ATOM 170 NE ARG A 10 -5.585 -14.303 -2.023 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.373 -14.812 -2.972 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.478 -14.205 -4.123 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.042 -15.907 -2.747 1.00 0.00 N ATOM 0 H ARG A 10 -0.722 -11.379 -2.616 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.207 -12.975 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.633 -11.116 -0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.898 -11.548 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.672 -13.674 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.602 -12.197 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.387 -12.286 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.071 -13.317 -3.085 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.560 -14.749 -1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.959 -13.344 -4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.079 -14.592 -4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.964 -16.376 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.644 -16.295 -3.473 1.00 0.00 H new ATOM 187 N GLU A 11 -1.914 -14.331 -3.261 1.00 0.00 N ATOM 188 CA GLU A 11 -2.123 -15.630 -3.892 1.00 0.00 C ATOM 189 C GLU A 11 -0.867 -16.482 -3.800 1.00 0.00 C ATOM 190 O GLU A 11 -0.919 -17.713 -3.933 1.00 0.00 O ATOM 191 CB GLU A 11 -2.598 -15.518 -5.349 1.00 0.00 C ATOM 192 CG GLU A 11 -1.472 -15.008 -6.259 1.00 0.00 C ATOM 193 CD GLU A 11 -1.857 -15.177 -7.719 1.00 0.00 C ATOM 194 OE1 GLU A 11 -3.017 -15.023 -8.034 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.992 -15.492 -8.500 1.00 0.00 O ATOM 0 H GLU A 11 -1.874 -13.540 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.925 -16.119 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.940 -16.492 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.451 -14.841 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.272 -13.958 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.552 -15.555 -6.053 1.00 0.00 H new ATOM 202 N LYS A 12 0.269 -15.822 -3.615 1.00 0.00 N ATOM 203 CA LYS A 12 1.564 -16.495 -3.552 1.00 0.00 C ATOM 204 C LYS A 12 1.533 -17.519 -2.447 1.00 0.00 C ATOM 205 O LYS A 12 1.824 -18.694 -2.663 1.00 0.00 O ATOM 206 CB LYS A 12 2.601 -15.447 -3.175 1.00 0.00 C ATOM 207 CG LYS A 12 4.010 -16.002 -3.144 1.00 0.00 C ATOM 208 CD LYS A 12 4.896 -14.862 -2.657 1.00 0.00 C ATOM 209 CE LYS A 12 6.359 -15.272 -2.665 1.00 0.00 C ATOM 210 NZ LYS A 12 6.557 -16.500 -1.851 1.00 0.00 N ATOM 0 H LYS A 12 0.321 -14.809 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 12 1.793 -16.972 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.555 -14.624 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.356 -15.035 -2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.077 -16.861 -2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.318 -16.341 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.755 -13.989 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.601 -14.572 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.688 -15.450 -3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.972 -14.463 -2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.572 -16.635 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.052 -16.403 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.186 -17.323 -2.368 1.00 0.00 H new ATOM 224 N LYS A 13 1.131 -17.071 -1.272 1.00 0.00 N ATOM 225 CA LYS A 13 1.026 -17.967 -0.129 1.00 0.00 C ATOM 226 C LYS A 13 -0.324 -18.641 -0.146 1.00 0.00 C ATOM 227 O LYS A 13 -0.689 -19.325 0.808 1.00 0.00 O ATOM 228 CB LYS A 13 1.144 -17.210 1.193 1.00 0.00 C ATOM 229 CG LYS A 13 2.275 -16.195 1.129 1.00 0.00 C ATOM 230 CD LYS A 13 2.628 -15.702 2.539 1.00 0.00 C ATOM 231 CE LYS A 13 3.853 -14.776 2.459 1.00 0.00 C ATOM 232 NZ LYS A 13 4.253 -14.353 3.820 1.00 0.00 N ATOM 0 H LYS A 13 0.874 -16.103 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 13 1.838 -18.690 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.205 -16.703 1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.325 -17.913 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.152 -16.646 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.981 -15.352 0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.782 -15.169 2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.840 -16.549 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.680 -15.293 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.620 -13.902 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.049 -13.687 3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.450 -13.888 4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.541 -15.186 4.372 1.00 0.00 H new ATOM 246 N LYS A 14 -1.148 -18.250 -1.107 1.00 0.00 N ATOM 247 CA LYS A 14 -2.544 -18.623 -1.097 1.00 0.00 C ATOM 248 C LYS A 14 -3.179 -18.094 0.168 1.00 0.00 C ATOM 249 O LYS A 14 -3.954 -18.778 0.841 1.00 0.00 O ATOM 250 CB LYS A 14 -2.721 -20.142 -1.216 1.00 0.00 C ATOM 251 CG LYS A 14 -2.124 -20.607 -2.538 1.00 0.00 C ATOM 252 CD LYS A 14 -2.917 -20.010 -3.705 1.00 0.00 C ATOM 253 CE LYS A 14 -2.288 -20.474 -5.006 1.00 0.00 C ATOM 254 NZ LYS A 14 -0.978 -19.793 -5.179 1.00 0.00 N ATOM 0 H LYS A 14 -0.868 -17.674 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.039 -18.183 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.230 -20.645 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.778 -20.403 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.079 -20.302 -2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.143 -21.695 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.959 -20.326 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.911 -18.921 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.152 -21.555 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.945 -20.245 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.755 -19.721 -6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.025 -18.840 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.236 -20.341 -4.700 1.00 0.00 H new ATOM 268 N ILE A 15 -2.868 -16.846 0.455 1.00 0.00 N ATOM 269 CA ILE A 15 -3.423 -16.157 1.595 1.00 0.00 C ATOM 270 C ILE A 15 -4.812 -15.673 1.243 1.00 0.00 C ATOM 271 O ILE A 15 -5.034 -15.135 0.155 1.00 0.00 O ATOM 272 CB ILE A 15 -2.524 -14.956 1.996 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.283 -15.388 2.812 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.306 -13.932 2.799 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.383 -16.850 3.278 1.00 0.00 C ATOM 0 H ILE A 15 -2.222 -16.283 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.473 -16.840 2.443 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.182 -14.513 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.387 -15.261 2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.175 -14.737 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.652 -13.102 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.138 -13.560 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.690 -14.398 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.491 -17.112 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.264 -16.972 3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.464 -17.504 2.410 1.00 0.00 H new ATOM 287 N SER A 16 -5.752 -15.877 2.124 1.00 0.00 N ATOM 288 CA SER A 16 -7.085 -15.401 1.860 1.00 0.00 C ATOM 289 C SER A 16 -7.121 -13.901 2.128 1.00 0.00 C ATOM 290 O SER A 16 -6.493 -13.419 3.075 1.00 0.00 O ATOM 291 CB SER A 16 -8.077 -16.139 2.755 1.00 0.00 C ATOM 292 OG SER A 16 -7.655 -17.504 2.885 1.00 0.00 O ATOM 0 H SER A 16 -5.627 -16.359 3.014 1.00 0.00 H new ATOM 0 HA SER A 16 -7.362 -15.588 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.127 -15.664 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.078 -16.093 2.327 1.00 0.00 H new ATOM 0 HG SER A 16 -6.982 -17.572 3.594 1.00 0.00 H new ATOM 298 N GLN A 17 -7.817 -13.151 1.306 1.00 0.00 N ATOM 299 CA GLN A 17 -7.864 -11.718 1.500 1.00 0.00 C ATOM 300 C GLN A 17 -8.578 -11.396 2.796 1.00 0.00 C ATOM 301 O GLN A 17 -8.154 -10.535 3.558 1.00 0.00 O ATOM 302 CB GLN A 17 -8.575 -11.054 0.333 1.00 0.00 C ATOM 303 CG GLN A 17 -7.863 -11.443 -0.957 1.00 0.00 C ATOM 304 CD GLN A 17 -7.709 -10.230 -1.838 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.666 -9.787 -2.464 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.564 -9.657 -1.907 1.00 0.00 N ATOM 0 H GLN A 17 -8.350 -13.500 0.509 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.845 -11.335 1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.618 -11.367 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.571 -9.971 0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.884 -11.866 -0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.430 -12.214 -1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.773 -10.032 -1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.444 -8.826 -2.486 1.00 0.00 H new ATOM 315 N SER A 18 -9.656 -12.101 3.037 1.00 0.00 N ATOM 316 CA SER A 18 -10.465 -11.921 4.224 1.00 0.00 C ATOM 317 C SER A 18 -9.698 -12.245 5.505 1.00 0.00 C ATOM 318 O SER A 18 -9.740 -11.478 6.467 1.00 0.00 O ATOM 319 CB SER A 18 -11.712 -12.780 4.112 1.00 0.00 C ATOM 320 OG SER A 18 -11.520 -13.729 3.062 1.00 0.00 O ATOM 0 H SER A 18 -10.003 -12.826 2.409 1.00 0.00 H new ATOM 0 HA SER A 18 -10.744 -10.869 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.904 -13.293 5.055 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.583 -12.158 3.905 1.00 0.00 H new ATOM 0 HG SER A 18 -12.318 -14.292 2.980 1.00 0.00 H new ATOM 326 N GLU A 19 -8.956 -13.353 5.502 1.00 0.00 N ATOM 327 CA GLU A 19 -8.171 -13.702 6.679 1.00 0.00 C ATOM 328 C GLU A 19 -7.080 -12.675 6.871 1.00 0.00 C ATOM 329 O GLU A 19 -6.907 -12.132 7.958 1.00 0.00 O ATOM 330 CB GLU A 19 -7.598 -15.137 6.590 1.00 0.00 C ATOM 331 CG GLU A 19 -6.412 -15.205 5.620 1.00 0.00 C ATOM 332 CD GLU A 19 -5.945 -16.640 5.465 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.861 -17.325 6.458 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.683 -17.044 4.354 1.00 0.00 O ATOM 0 H GLU A 19 -8.884 -14.005 4.721 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.825 -13.693 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.280 -15.466 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.379 -15.823 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.703 -14.802 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.594 -14.586 5.990 1.00 0.00 H new ATOM 341 N LEU A 20 -6.477 -12.273 5.766 1.00 0.00 N ATOM 342 CA LEU A 20 -5.502 -11.201 5.786 1.00 0.00 C ATOM 343 C LEU A 20 -6.171 -9.943 6.302 1.00 0.00 C ATOM 344 O LEU A 20 -5.690 -9.313 7.239 1.00 0.00 O ATOM 345 CB LEU A 20 -4.982 -10.964 4.352 1.00 0.00 C ATOM 346 CG LEU A 20 -4.149 -9.670 4.277 1.00 0.00 C ATOM 347 CD1 LEU A 20 -2.704 -9.997 3.898 1.00 0.00 C ATOM 348 CD2 LEU A 20 -4.765 -8.743 3.223 1.00 0.00 C ATOM 0 H LEU A 20 -6.647 -12.674 4.844 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.666 -11.463 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.374 -11.812 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.823 -10.901 3.662 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.152 -9.178 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.124 -9.076 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.271 -10.658 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.686 -10.491 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.183 -7.824 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.760 -9.241 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.791 -8.505 3.503 1.00 0.00 H new ATOM 360 N ALA A 21 -7.350 -9.665 5.788 1.00 0.00 N ATOM 361 CA ALA A 21 -8.127 -8.534 6.251 1.00 0.00 C ATOM 362 C ALA A 21 -8.396 -8.664 7.743 1.00 0.00 C ATOM 363 O ALA A 21 -8.285 -7.679 8.491 1.00 0.00 O ATOM 364 CB ALA A 21 -9.443 -8.428 5.471 1.00 0.00 C ATOM 0 H ALA A 21 -7.793 -10.208 5.047 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.557 -7.622 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.013 -7.572 5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.228 -8.298 4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.025 -9.338 5.614 1.00 0.00 H new ATOM 370 N ALA A 22 -8.632 -9.896 8.194 1.00 0.00 N ATOM 371 CA ALA A 22 -8.795 -10.151 9.611 1.00 0.00 C ATOM 372 C ALA A 22 -7.501 -9.835 10.322 1.00 0.00 C ATOM 373 O ALA A 22 -7.494 -9.183 11.367 1.00 0.00 O ATOM 374 CB ALA A 22 -9.178 -11.615 9.858 1.00 0.00 C ATOM 0 H ALA A 22 -8.713 -10.721 7.599 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.595 -9.518 9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.295 -11.785 10.928 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.117 -11.836 9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.394 -12.266 9.471 1.00 0.00 H new ATOM 380 N LEU A 23 -6.396 -10.240 9.716 1.00 0.00 N ATOM 381 CA LEU A 23 -5.083 -9.961 10.276 1.00 0.00 C ATOM 382 C LEU A 23 -4.869 -8.462 10.304 1.00 0.00 C ATOM 383 O LEU A 23 -4.297 -7.915 11.249 1.00 0.00 O ATOM 384 CB LEU A 23 -3.971 -10.619 9.446 1.00 0.00 C ATOM 385 CG LEU A 23 -4.132 -12.144 9.455 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.920 -12.816 8.809 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.335 -12.658 10.878 1.00 0.00 C ATOM 0 H LEU A 23 -6.382 -10.761 8.839 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.041 -10.372 11.285 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.005 -10.249 8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.996 -10.347 9.851 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.017 -12.397 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.052 -13.898 8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.823 -12.477 7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.019 -12.553 9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.447 -13.742 10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.471 -12.392 11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.232 -12.207 11.303 1.00 0.00 H new ATOM 399 N LEU A 24 -5.326 -7.808 9.251 1.00 0.00 N ATOM 400 CA LEU A 24 -5.196 -6.366 9.125 1.00 0.00 C ATOM 401 C LEU A 24 -6.136 -5.668 10.068 1.00 0.00 C ATOM 402 O LEU A 24 -5.967 -4.478 10.343 1.00 0.00 O ATOM 403 CB LEU A 24 -5.506 -5.913 7.707 1.00 0.00 C ATOM 404 CG LEU A 24 -4.531 -6.547 6.731 1.00 0.00 C ATOM 405 CD1 LEU A 24 -4.896 -6.140 5.312 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.116 -6.097 7.044 1.00 0.00 C ATOM 0 H LEU A 24 -5.795 -8.257 8.464 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.166 -6.108 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.527 -6.189 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.443 -4.827 7.642 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.587 -7.632 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.196 -6.595 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.907 -6.478 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.847 -5.055 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.424 -6.557 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.052 -5.012 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.854 -6.398 8.058 1.00 0.00 H new ATOM 418 N GLU A 25 -7.190 -6.370 10.466 1.00 0.00 N ATOM 419 CA GLU A 25 -8.227 -5.815 11.326 1.00 0.00 C ATOM 420 C GLU A 25 -9.165 -4.939 10.492 1.00 0.00 C ATOM 421 O GLU A 25 -9.795 -4.010 11.010 1.00 0.00 O ATOM 422 CB GLU A 25 -7.583 -4.992 12.466 1.00 0.00 C ATOM 423 CG GLU A 25 -6.593 -5.878 13.248 1.00 0.00 C ATOM 424 CD GLU A 25 -5.724 -5.037 14.171 1.00 0.00 C ATOM 425 OE1 GLU A 25 -5.082 -4.110 13.686 1.00 0.00 O ATOM 426 OE2 GLU A 25 -5.683 -5.339 15.342 1.00 0.00 O ATOM 0 H GLU A 25 -7.350 -7.342 10.201 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.804 -6.625 11.772 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.065 -4.126 12.055 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.355 -4.613 13.136 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.143 -6.616 13.832 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.962 -6.429 12.550 1.00 0.00 H new ATOM 433 N VAL A 26 -9.252 -5.245 9.199 1.00 0.00 N ATOM 434 CA VAL A 26 -10.106 -4.505 8.272 1.00 0.00 C ATOM 435 C VAL A 26 -10.928 -5.456 7.408 1.00 0.00 C ATOM 436 O VAL A 26 -10.623 -6.648 7.318 1.00 0.00 O ATOM 437 CB VAL A 26 -9.268 -3.569 7.385 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.597 -2.500 8.252 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.186 -4.367 6.640 1.00 0.00 C ATOM 0 H VAL A 26 -8.735 -6.010 8.766 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.792 -3.899 8.864 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.927 -3.095 6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.004 -1.839 7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.361 -1.919 8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.948 -2.980 8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.601 -3.692 6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.531 -4.853 7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.659 -5.123 6.012 1.00 0.00 H new ATOM 449 N SER A 27 -11.970 -4.937 6.781 1.00 0.00 N ATOM 450 CA SER A 27 -12.813 -5.746 5.914 1.00 0.00 C ATOM 451 C SER A 27 -12.135 -5.986 4.555 1.00 0.00 C ATOM 452 O SER A 27 -11.441 -5.106 4.016 1.00 0.00 O ATOM 453 CB SER A 27 -14.195 -5.096 5.742 1.00 0.00 C ATOM 454 OG SER A 27 -15.117 -6.026 5.153 1.00 0.00 O ATOM 0 H SER A 27 -12.253 -3.960 6.855 1.00 0.00 H new ATOM 0 HA SER A 27 -12.956 -6.718 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.571 -4.765 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.111 -4.210 5.113 1.00 0.00 H new ATOM 0 HG SER A 27 -15.753 -6.332 5.833 1.00 0.00 H new ATOM 460 N ARG A 28 -12.367 -7.165 3.995 1.00 0.00 N ATOM 461 CA ARG A 28 -11.813 -7.556 2.694 1.00 0.00 C ATOM 462 C ARG A 28 -12.286 -6.629 1.595 1.00 0.00 C ATOM 463 O ARG A 28 -11.517 -6.288 0.684 1.00 0.00 O ATOM 464 CB ARG A 28 -12.223 -8.990 2.366 1.00 0.00 C ATOM 465 CG ARG A 28 -11.612 -9.433 1.030 1.00 0.00 C ATOM 466 CD ARG A 28 -12.080 -10.854 0.723 1.00 0.00 C ATOM 467 NE ARG A 28 -13.528 -10.870 0.516 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.105 -11.352 -0.593 1.00 0.00 C ATOM 469 NH1 ARG A 28 -13.374 -11.920 -1.522 1.00 0.00 N ATOM 470 NH2 ARG A 28 -15.396 -11.267 -0.738 1.00 0.00 N ATOM 0 H ARG A 28 -12.946 -7.884 4.427 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.727 -7.488 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.895 -9.659 3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.310 -9.061 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.916 -8.755 0.233 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.524 -9.397 1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.573 -11.229 -0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.814 -11.519 1.545 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.128 -10.496 1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.364 -11.996 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.815 -12.286 -2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.964 -10.835 -0.009 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.840 -11.633 -1.581 1.00 0.00 H new ATOM 484 N GLN A 29 -13.565 -6.278 1.646 1.00 0.00 N ATOM 485 CA GLN A 29 -14.176 -5.423 0.635 1.00 0.00 C ATOM 486 C GLN A 29 -13.235 -4.286 0.299 1.00 0.00 C ATOM 487 O GLN A 29 -13.082 -3.900 -0.862 1.00 0.00 O ATOM 488 CB GLN A 29 -15.493 -4.850 1.179 1.00 0.00 C ATOM 489 CG GLN A 29 -15.237 -4.164 2.532 1.00 0.00 C ATOM 490 CD GLN A 29 -16.554 -3.791 3.195 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.292 -2.944 2.680 1.00 0.00 O ATOM 492 NE2 GLN A 29 -16.890 -4.358 4.310 1.00 0.00 N ATOM 0 H GLN A 29 -14.204 -6.575 2.383 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.375 -6.008 -0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.910 -4.135 0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.227 -5.647 1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.671 -4.830 3.183 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.631 -3.270 2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.278 -5.057 4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.767 -4.106 4.766 1.00 0.00 H new ATOM 501 N THR A 30 -12.588 -3.779 1.319 1.00 0.00 N ATOM 502 CA THR A 30 -11.642 -2.710 1.172 1.00 0.00 C ATOM 503 C THR A 30 -10.307 -3.203 0.602 1.00 0.00 C ATOM 504 O THR A 30 -9.823 -2.673 -0.392 1.00 0.00 O ATOM 505 CB THR A 30 -11.447 -2.024 2.536 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.082 -2.814 3.554 1.00 0.00 O ATOM 507 CG2 THR A 30 -12.102 -0.646 2.509 1.00 0.00 C ATOM 0 H THR A 30 -12.706 -4.101 2.279 1.00 0.00 H new ATOM 0 HA THR A 30 -12.035 -1.989 0.455 1.00 0.00 H new ATOM 0 HB THR A 30 -10.382 -1.925 2.744 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.498 -3.562 3.799 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.965 -0.159 3.474 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.642 -0.040 1.728 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.167 -0.753 2.305 1.00 0.00 H new ATOM 515 N ILE A 31 -9.719 -4.221 1.226 1.00 0.00 N ATOM 516 CA ILE A 31 -8.394 -4.678 0.815 1.00 0.00 C ATOM 517 C ILE A 31 -8.395 -5.199 -0.615 1.00 0.00 C ATOM 518 O ILE A 31 -7.539 -4.822 -1.419 1.00 0.00 O ATOM 519 CB ILE A 31 -7.877 -5.767 1.772 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.650 -5.166 3.164 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.552 -6.339 1.250 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.628 -4.028 3.093 1.00 0.00 C ATOM 0 H ILE A 31 -10.130 -4.737 2.004 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.726 -3.818 0.858 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.618 -6.564 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.593 -4.793 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.297 -5.938 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.194 -7.109 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.707 -6.774 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.813 -5.541 1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.478 -3.611 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.681 -4.412 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.997 -3.249 2.426 1.00 0.00 H new ATOM 534 N ASN A 32 -9.391 -5.998 -0.953 1.00 0.00 N ATOM 535 CA ASN A 32 -9.492 -6.484 -2.315 1.00 0.00 C ATOM 536 C ASN A 32 -9.756 -5.323 -3.249 1.00 0.00 C ATOM 537 O ASN A 32 -9.187 -5.241 -4.326 1.00 0.00 O ATOM 538 CB ASN A 32 -10.574 -7.560 -2.453 1.00 0.00 C ATOM 539 CG ASN A 32 -11.933 -6.923 -2.648 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.387 -6.746 -3.775 1.00 0.00 O ATOM 541 ND2 ASN A 32 -12.614 -6.560 -1.621 1.00 0.00 N ATOM 0 H ASN A 32 -10.124 -6.317 -0.320 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.545 -6.951 -2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.345 -8.208 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.585 -8.189 -1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.529 -6.126 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.240 -6.706 -0.683 1.00 0.00 H new ATOM 548 N GLY A 33 -10.576 -4.388 -2.804 1.00 0.00 N ATOM 549 CA GLY A 33 -10.853 -3.208 -3.598 1.00 0.00 C ATOM 550 C GLY A 33 -9.577 -2.416 -3.829 1.00 0.00 C ATOM 551 O GLY A 33 -9.334 -1.909 -4.938 1.00 0.00 O ATOM 0 H GLY A 33 -11.057 -4.423 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.287 -3.499 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.589 -2.585 -3.091 1.00 0.00 H new ATOM 555 N ILE A 34 -8.762 -2.297 -2.783 1.00 0.00 N ATOM 556 CA ILE A 34 -7.538 -1.524 -2.864 1.00 0.00 C ATOM 557 C ILE A 34 -6.578 -2.118 -3.892 1.00 0.00 C ATOM 558 O ILE A 34 -6.082 -1.396 -4.763 1.00 0.00 O ATOM 559 CB ILE A 34 -6.869 -1.420 -1.479 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.732 -0.561 -0.550 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.494 -0.768 -1.601 1.00 0.00 C ATOM 562 CD1 ILE A 34 -7.196 -0.652 0.876 1.00 0.00 C ATOM 0 H ILE A 34 -8.932 -2.727 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.795 -0.518 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.763 -2.426 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.725 0.476 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.767 -0.900 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.034 -0.701 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.863 -1.369 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.602 0.233 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.811 -0.040 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.226 -1.689 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.168 -0.292 0.902 1.00 0.00 H new ATOM 574 N GLU A 35 -6.402 -3.436 -3.876 1.00 0.00 N ATOM 575 CA GLU A 35 -5.596 -4.060 -4.904 1.00 0.00 C ATOM 576 C GLU A 35 -6.306 -3.970 -6.244 1.00 0.00 C ATOM 577 O GLU A 35 -5.667 -3.816 -7.285 1.00 0.00 O ATOM 578 CB GLU A 35 -5.234 -5.512 -4.563 1.00 0.00 C ATOM 579 CG GLU A 35 -6.484 -6.380 -4.449 1.00 0.00 C ATOM 580 CD GLU A 35 -6.266 -7.699 -5.159 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.180 -7.684 -6.378 1.00 0.00 O ATOM 582 OE2 GLU A 35 -6.189 -8.704 -4.491 1.00 0.00 O ATOM 0 H GLU A 35 -6.796 -4.071 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.654 -3.515 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.576 -5.916 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.681 -5.541 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.719 -6.557 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.338 -5.861 -4.884 1.00 0.00 H new ATOM 589 N LYS A 36 -7.640 -4.085 -6.220 1.00 0.00 N ATOM 590 CA LYS A 36 -8.413 -4.015 -7.445 1.00 0.00 C ATOM 591 C LYS A 36 -8.310 -2.653 -8.105 1.00 0.00 C ATOM 592 O LYS A 36 -8.084 -2.571 -9.307 1.00 0.00 O ATOM 593 CB LYS A 36 -9.891 -4.384 -7.207 1.00 0.00 C ATOM 594 CG LYS A 36 -10.166 -5.813 -7.715 1.00 0.00 C ATOM 595 CD LYS A 36 -10.475 -6.761 -6.548 1.00 0.00 C ATOM 596 CE LYS A 36 -9.268 -7.672 -6.315 1.00 0.00 C ATOM 597 NZ LYS A 36 -8.848 -8.294 -7.598 1.00 0.00 N ATOM 0 H LYS A 36 -8.191 -4.225 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.982 -4.750 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.125 -4.316 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.539 -3.675 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.005 -5.801 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.300 -6.180 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.695 -6.189 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.360 -7.357 -6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.444 -7.097 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.520 -8.447 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.552 -9.276 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.645 -8.284 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.053 -7.758 -8.000 1.00 0.00 H new ATOM 611 N ASN A 37 -8.494 -1.580 -7.329 1.00 0.00 N ATOM 612 CA ASN A 37 -8.466 -0.223 -7.912 1.00 0.00 C ATOM 613 C ASN A 37 -8.760 0.863 -6.881 1.00 0.00 C ATOM 614 O ASN A 37 -9.281 1.923 -7.244 1.00 0.00 O ATOM 615 CB ASN A 37 -9.515 -0.112 -9.040 1.00 0.00 C ATOM 616 CG ASN A 37 -10.936 -0.055 -8.452 1.00 0.00 C ATOM 617 OD1 ASN A 37 -11.848 0.470 -9.090 1.00 0.00 O ATOM 618 ND2 ASN A 37 -11.182 -0.569 -7.276 1.00 0.00 N ATOM 0 H ASN A 37 -8.660 -1.614 -6.323 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.458 -0.070 -8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.325 0.782 -9.634 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.427 -0.966 -9.712 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.126 -0.534 -6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.430 -1.005 -6.743 1.00 0.00 H new ATOM 625 N LYS A 38 -8.553 0.579 -5.613 1.00 0.00 N ATOM 626 CA LYS A 38 -8.949 1.526 -4.581 1.00 0.00 C ATOM 627 C LYS A 38 -7.785 2.262 -3.956 1.00 0.00 C ATOM 628 O LYS A 38 -6.628 2.100 -4.356 1.00 0.00 O ATOM 629 CB LYS A 38 -9.831 0.847 -3.532 1.00 0.00 C ATOM 630 CG LYS A 38 -11.105 1.669 -3.322 1.00 0.00 C ATOM 631 CD LYS A 38 -12.067 0.885 -2.438 1.00 0.00 C ATOM 632 CE LYS A 38 -13.348 1.687 -2.218 1.00 0.00 C ATOM 633 NZ LYS A 38 -14.342 0.844 -1.518 1.00 0.00 N ATOM 0 H LYS A 38 -8.122 -0.280 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.539 2.297 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.086 -0.162 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.288 0.753 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.863 2.625 -2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.572 1.890 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.303 -0.072 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.596 0.666 -1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.135 2.580 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.749 2.023 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.215 1.389 -1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.553 0.005 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.958 0.545 -0.599 1.00 0.00 H new ATOM 647 N TYR A 39 -8.125 3.141 -3.036 1.00 0.00 N ATOM 648 CA TYR A 39 -7.158 4.000 -2.389 1.00 0.00 C ATOM 649 C TYR A 39 -6.042 3.190 -1.754 1.00 0.00 C ATOM 650 O TYR A 39 -6.282 2.137 -1.176 1.00 0.00 O ATOM 651 CB TYR A 39 -7.843 4.886 -1.337 1.00 0.00 C ATOM 652 CG TYR A 39 -8.535 4.030 -0.294 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.871 3.630 -0.478 1.00 0.00 C ATOM 654 CD2 TYR A 39 -7.846 3.637 0.857 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.502 2.846 0.494 1.00 0.00 C ATOM 656 CE2 TYR A 39 -8.486 2.854 1.823 1.00 0.00 C ATOM 657 CZ TYR A 39 -9.808 2.458 1.641 1.00 0.00 C ATOM 658 OH TYR A 39 -10.426 1.689 2.593 1.00 0.00 O ATOM 0 H TYR A 39 -9.083 3.279 -2.716 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.717 4.641 -3.152 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.105 5.529 -0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.569 5.540 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.408 3.927 -1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.819 3.938 1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -11.529 2.540 0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.953 2.556 2.713 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.800 1.509 3.325 1.00 0.00 H new ATOM 668 N ASN A 40 -4.827 3.687 -1.868 1.00 0.00 N ATOM 669 CA ASN A 40 -3.680 3.007 -1.293 1.00 0.00 C ATOM 670 C ASN A 40 -3.777 2.981 0.218 1.00 0.00 C ATOM 671 O ASN A 40 -4.313 3.909 0.831 1.00 0.00 O ATOM 672 CB ASN A 40 -2.365 3.664 -1.719 1.00 0.00 C ATOM 673 CG ASN A 40 -2.471 5.180 -1.643 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.543 5.750 -0.554 1.00 0.00 O ATOM 675 ND2 ASN A 40 -2.470 5.877 -2.736 1.00 0.00 N ATOM 0 H ASN A 40 -4.607 4.557 -2.352 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.686 1.984 -1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.555 3.319 -1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.115 3.363 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.529 6.894 -2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.410 5.408 -3.640 1.00 0.00 H new ATOM 682 N PRO A 41 -3.284 1.944 0.834 1.00 0.00 N ATOM 683 CA PRO A 41 -3.329 1.799 2.314 1.00 0.00 C ATOM 684 C PRO A 41 -2.384 2.766 3.020 1.00 0.00 C ATOM 685 O PRO A 41 -1.276 3.034 2.540 1.00 0.00 O ATOM 686 CB PRO A 41 -2.895 0.348 2.540 1.00 0.00 C ATOM 687 CG PRO A 41 -2.016 0.037 1.378 1.00 0.00 C ATOM 688 CD PRO A 41 -2.619 0.789 0.190 1.00 0.00 C ATOM 0 HA PRO A 41 -4.315 2.027 2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.361 0.236 3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.754 -0.322 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.991 0.358 1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.984 -1.036 1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.853 1.107 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.327 0.171 -0.362 1.00 0.00 H new ATOM 696 N SER A 42 -2.771 3.177 4.217 1.00 0.00 N ATOM 697 CA SER A 42 -1.908 3.996 5.045 1.00 0.00 C ATOM 698 C SER A 42 -0.714 3.155 5.499 1.00 0.00 C ATOM 699 O SER A 42 -0.702 1.928 5.295 1.00 0.00 O ATOM 700 CB SER A 42 -2.693 4.535 6.243 1.00 0.00 C ATOM 701 OG SER A 42 -3.965 5.037 5.794 1.00 0.00 O ATOM 0 H SER A 42 -3.675 2.956 4.634 1.00 0.00 H new ATOM 0 HA SER A 42 -1.541 4.850 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.841 3.746 6.980 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.129 5.328 6.734 1.00 0.00 H new ATOM 0 HG SER A 42 -4.470 5.381 6.560 1.00 0.00 H new ATOM 707 N LEU A 43 0.311 3.793 6.057 1.00 0.00 N ATOM 708 CA LEU A 43 1.528 3.057 6.393 1.00 0.00 C ATOM 709 C LEU A 43 1.256 1.954 7.375 1.00 0.00 C ATOM 710 O LEU A 43 1.709 0.832 7.180 1.00 0.00 O ATOM 711 CB LEU A 43 2.603 3.979 6.987 1.00 0.00 C ATOM 712 CG LEU A 43 3.178 4.899 5.913 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.130 5.895 6.576 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.958 4.058 4.897 1.00 0.00 C ATOM 0 H LEU A 43 0.327 4.788 6.281 1.00 0.00 H new ATOM 0 HA LEU A 43 1.890 2.631 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.173 4.575 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.401 3.380 7.425 1.00 0.00 H new ATOM 0 HG LEU A 43 2.373 5.432 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.548 6.558 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.585 6.484 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.937 5.354 7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.372 4.709 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.769 3.535 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.289 3.331 4.437 1.00 0.00 H new ATOM 726 N GLN A 44 0.475 2.233 8.390 1.00 0.00 N ATOM 727 CA GLN A 44 0.192 1.219 9.367 1.00 0.00 C ATOM 728 C GLN A 44 -0.492 0.051 8.687 1.00 0.00 C ATOM 729 O GLN A 44 -0.145 -1.107 8.910 1.00 0.00 O ATOM 730 CB GLN A 44 -0.723 1.774 10.456 1.00 0.00 C ATOM 731 CG GLN A 44 -1.003 0.695 11.503 1.00 0.00 C ATOM 732 CD GLN A 44 -2.200 1.101 12.338 1.00 0.00 C ATOM 733 OE1 GLN A 44 -2.091 1.293 13.543 1.00 0.00 O ATOM 734 NE2 GLN A 44 -3.345 1.245 11.755 1.00 0.00 N ATOM 0 H GLN A 44 0.033 3.137 8.557 1.00 0.00 H new ATOM 0 HA GLN A 44 1.127 0.892 9.822 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.257 2.639 10.928 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.659 2.117 10.016 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.194 -0.260 11.014 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.130 0.557 12.142 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.430 1.084 10.751 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.163 1.520 12.299 1.00 0.00 H new ATOM 743 N LEU A 45 -1.455 0.368 7.846 1.00 0.00 N ATOM 744 CA LEU A 45 -2.193 -0.653 7.136 1.00 0.00 C ATOM 745 C LEU A 45 -1.252 -1.440 6.235 1.00 0.00 C ATOM 746 O LEU A 45 -1.225 -2.671 6.271 1.00 0.00 O ATOM 747 CB LEU A 45 -3.325 -0.003 6.316 1.00 0.00 C ATOM 748 CG LEU A 45 -4.444 -1.022 6.007 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.927 -2.128 5.087 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.974 -1.638 7.312 1.00 0.00 C ATOM 0 H LEU A 45 -1.744 1.324 7.638 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.639 -1.344 7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.740 0.841 6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.922 0.393 5.384 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.255 -0.497 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.730 -2.835 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.581 -1.690 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.101 -2.648 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.762 -2.355 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.161 -2.146 7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.375 -0.850 7.950 1.00 0.00 H new ATOM 762 N ALA A 46 -0.400 -0.721 5.513 1.00 0.00 N ATOM 763 CA ALA A 46 0.591 -1.367 4.659 1.00 0.00 C ATOM 764 C ALA A 46 1.540 -2.202 5.497 1.00 0.00 C ATOM 765 O ALA A 46 1.854 -3.349 5.155 1.00 0.00 O ATOM 766 CB ALA A 46 1.385 -0.317 3.872 1.00 0.00 C ATOM 0 H ALA A 46 -0.374 0.299 5.501 1.00 0.00 H new ATOM 0 HA ALA A 46 0.069 -2.016 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.120 -0.815 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.704 0.263 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.896 0.349 4.567 1.00 0.00 H new ATOM 772 N LEU A 47 1.963 -1.639 6.615 1.00 0.00 N ATOM 773 CA LEU A 47 2.860 -2.328 7.522 1.00 0.00 C ATOM 774 C LEU A 47 2.200 -3.579 8.075 1.00 0.00 C ATOM 775 O LEU A 47 2.802 -4.661 8.091 1.00 0.00 O ATOM 776 CB LEU A 47 3.305 -1.390 8.650 1.00 0.00 C ATOM 777 CG LEU A 47 4.222 -0.297 8.072 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.479 0.777 9.124 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.557 -0.910 7.644 1.00 0.00 C ATOM 0 H LEU A 47 1.697 -0.701 6.916 1.00 0.00 H new ATOM 0 HA LEU A 47 3.748 -2.635 6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.435 -0.937 9.126 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.832 -1.953 9.420 1.00 0.00 H new ATOM 0 HG LEU A 47 3.732 0.150 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.129 1.547 8.707 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.532 1.225 9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.960 0.328 9.993 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.201 -0.131 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.041 -1.366 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.381 -1.671 6.883 1.00 0.00 H new ATOM 791 N LYS A 48 0.921 -3.467 8.421 1.00 0.00 N ATOM 792 CA LYS A 48 0.184 -4.635 8.880 1.00 0.00 C ATOM 793 C LYS A 48 0.148 -5.682 7.793 1.00 0.00 C ATOM 794 O LYS A 48 0.359 -6.865 8.062 1.00 0.00 O ATOM 795 CB LYS A 48 -1.256 -4.261 9.274 1.00 0.00 C ATOM 796 CG LYS A 48 -1.252 -3.461 10.587 1.00 0.00 C ATOM 797 CD LYS A 48 -2.684 -3.037 10.944 1.00 0.00 C ATOM 798 CE LYS A 48 -2.692 -2.341 12.316 1.00 0.00 C ATOM 799 NZ LYS A 48 -2.684 -3.363 13.398 1.00 0.00 N ATOM 0 H LYS A 48 0.385 -2.600 8.393 1.00 0.00 H new ATOM 0 HA LYS A 48 0.694 -5.031 9.758 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.717 -3.672 8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.856 -5.164 9.391 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.831 -4.066 11.390 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.617 -2.581 10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.075 -2.363 10.181 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.337 -3.909 10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.822 -1.691 12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.574 -1.707 12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.058 -3.050 14.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.649 -3.486 13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.340 -4.268 13.018 1.00 0.00 H new ATOM 813 N ILE A 49 -0.075 -5.246 6.563 1.00 0.00 N ATOM 814 CA ILE A 49 -0.096 -6.170 5.452 1.00 0.00 C ATOM 815 C ILE A 49 1.282 -6.798 5.308 1.00 0.00 C ATOM 816 O ILE A 49 1.412 -8.018 5.223 1.00 0.00 O ATOM 817 CB ILE A 49 -0.506 -5.440 4.153 1.00 0.00 C ATOM 818 CG1 ILE A 49 -1.948 -4.949 4.283 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.446 -6.414 2.971 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.300 -4.064 3.093 1.00 0.00 C ATOM 0 H ILE A 49 -0.241 -4.271 6.316 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.830 -6.954 5.639 1.00 0.00 H new ATOM 0 HB ILE A 49 0.173 -4.603 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.629 -5.799 4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.070 -4.391 5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.736 -5.895 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.570 -6.796 2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.129 -7.245 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.329 -3.716 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.628 -3.206 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.196 -4.636 2.171 1.00 0.00 H new ATOM 832 N ALA A 50 2.311 -5.970 5.385 1.00 0.00 N ATOM 833 CA ALA A 50 3.674 -6.470 5.308 1.00 0.00 C ATOM 834 C ALA A 50 3.943 -7.449 6.430 1.00 0.00 C ATOM 835 O ALA A 50 4.477 -8.544 6.196 1.00 0.00 O ATOM 836 CB ALA A 50 4.677 -5.313 5.385 1.00 0.00 C ATOM 0 H ALA A 50 2.231 -4.960 5.499 1.00 0.00 H new ATOM 0 HA ALA A 50 3.793 -6.981 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.692 -5.707 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.505 -4.627 4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.548 -4.782 6.328 1.00 0.00 H new ATOM 842 N TYR A 51 3.633 -7.036 7.659 1.00 0.00 N ATOM 843 CA TYR A 51 3.918 -7.861 8.821 1.00 0.00 C ATOM 844 C TYR A 51 3.037 -9.103 8.882 1.00 0.00 C ATOM 845 O TYR A 51 3.545 -10.217 8.939 1.00 0.00 O ATOM 846 CB TYR A 51 3.786 -7.059 10.123 1.00 0.00 C ATOM 847 CG TYR A 51 4.894 -6.024 10.210 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.235 -6.425 10.196 1.00 0.00 C ATOM 849 CD2 TYR A 51 4.576 -4.664 10.317 1.00 0.00 C ATOM 850 CE1 TYR A 51 7.255 -5.471 10.283 1.00 0.00 C ATOM 851 CE2 TYR A 51 5.597 -3.709 10.404 1.00 0.00 C ATOM 852 CZ TYR A 51 6.934 -4.111 10.388 1.00 0.00 C ATOM 853 OH TYR A 51 7.937 -3.170 10.475 1.00 0.00 O ATOM 0 H TYR A 51 3.189 -6.142 7.869 1.00 0.00 H new ATOM 0 HA TYR A 51 4.951 -8.192 8.714 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.814 -6.567 10.160 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.836 -7.730 10.980 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.483 -7.473 10.118 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.542 -4.351 10.332 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.289 -5.783 10.269 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.350 -2.661 10.484 1.00 0.00 H new ATOM 0 HH TYR A 51 7.542 -2.276 10.541 1.00 0.00 H new ATOM 863 N TYR A 52 1.720 -8.910 8.856 1.00 0.00 N ATOM 864 CA TYR A 52 0.792 -10.042 8.952 1.00 0.00 C ATOM 865 C TYR A 52 0.905 -10.980 7.771 1.00 0.00 C ATOM 866 O TYR A 52 0.965 -12.201 7.941 1.00 0.00 O ATOM 867 CB TYR A 52 -0.653 -9.577 9.147 1.00 0.00 C ATOM 868 CG TYR A 52 -0.867 -9.207 10.601 1.00 0.00 C ATOM 869 CD1 TYR A 52 -1.119 -10.214 11.544 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.812 -7.870 11.009 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.316 -9.883 12.885 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.010 -7.541 12.356 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.261 -8.549 13.291 1.00 0.00 C ATOM 874 OH TYR A 52 -1.454 -8.226 14.616 1.00 0.00 O ATOM 0 H TYR A 52 1.273 -7.997 8.771 1.00 0.00 H new ATOM 0 HA TYR A 52 1.084 -10.604 9.839 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.861 -8.720 8.507 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.344 -10.368 8.855 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.161 -11.247 11.232 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.617 -7.092 10.286 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.511 -10.660 13.609 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.969 -6.509 12.672 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.382 -7.255 14.730 1.00 0.00 H new ATOM 884 N LEU A 53 0.984 -10.414 6.580 1.00 0.00 N ATOM 885 CA LEU A 53 1.181 -11.228 5.392 1.00 0.00 C ATOM 886 C LEU A 53 2.539 -11.895 5.486 1.00 0.00 C ATOM 887 O LEU A 53 2.728 -13.021 5.012 1.00 0.00 O ATOM 888 CB LEU A 53 1.066 -10.385 4.101 1.00 0.00 C ATOM 889 CG LEU A 53 0.770 -11.269 2.862 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.069 -11.753 2.230 1.00 0.00 C ATOM 891 CD2 LEU A 53 -0.099 -12.469 3.232 1.00 0.00 C ATOM 0 H LEU A 53 0.916 -9.411 6.409 1.00 0.00 H new ATOM 0 HA LEU A 53 0.399 -11.986 5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.273 -9.646 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.993 -9.835 3.942 1.00 0.00 H new ATOM 0 HG LEU A 53 0.225 -10.657 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.843 -12.372 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.664 -10.895 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.631 -12.339 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.289 -13.069 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.417 -13.076 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.046 -12.119 3.643 1.00 0.00 H new ATOM 903 N ASN A 54 3.501 -11.155 6.027 1.00 0.00 N ATOM 904 CA ASN A 54 4.889 -11.593 6.114 1.00 0.00 C ATOM 905 C ASN A 54 5.547 -11.486 4.760 1.00 0.00 C ATOM 906 O ASN A 54 5.694 -12.479 4.042 1.00 0.00 O ATOM 907 CB ASN A 54 5.026 -13.014 6.697 1.00 0.00 C ATOM 908 CG ASN A 54 5.587 -12.953 8.110 1.00 0.00 C ATOM 909 OD1 ASN A 54 6.466 -13.744 8.465 1.00 0.00 O ATOM 910 ND2 ASN A 54 5.134 -12.077 8.942 1.00 0.00 N ATOM 0 H ASN A 54 3.338 -10.228 6.420 1.00 0.00 H new ATOM 0 HA ASN A 54 5.403 -10.931 6.811 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.054 -13.506 6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.681 -13.613 6.064 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.502 -12.038 9.892 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.408 -11.423 8.649 1.00 0.00 H new ATOM 917 N THR A 55 5.793 -10.257 4.362 1.00 0.00 N ATOM 918 CA THR A 55 6.331 -9.942 3.054 1.00 0.00 C ATOM 919 C THR A 55 6.839 -8.498 3.064 1.00 0.00 C ATOM 920 O THR A 55 6.312 -7.663 3.810 1.00 0.00 O ATOM 921 CB THR A 55 5.226 -10.144 1.994 1.00 0.00 C ATOM 922 OG1 THR A 55 4.936 -11.537 1.877 1.00 0.00 O ATOM 923 CG2 THR A 55 5.652 -9.589 0.629 1.00 0.00 C ATOM 0 H THR A 55 5.623 -9.437 4.944 1.00 0.00 H new ATOM 0 HA THR A 55 7.165 -10.599 2.808 1.00 0.00 H new ATOM 0 HB THR A 55 4.337 -9.601 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.582 -12.051 2.405 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.852 -9.747 -0.094 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.855 -8.522 0.717 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.552 -10.103 0.292 1.00 0.00 H new ATOM 931 N PRO A 56 7.861 -8.187 2.291 1.00 0.00 N ATOM 932 CA PRO A 56 8.406 -6.799 2.225 1.00 0.00 C ATOM 933 C PRO A 56 7.334 -5.819 1.768 1.00 0.00 C ATOM 934 O PRO A 56 6.461 -6.167 0.966 1.00 0.00 O ATOM 935 CB PRO A 56 9.528 -6.894 1.182 1.00 0.00 C ATOM 936 CG PRO A 56 9.906 -8.338 1.159 1.00 0.00 C ATOM 937 CD PRO A 56 8.613 -9.109 1.408 1.00 0.00 C ATOM 0 HA PRO A 56 8.756 -6.439 3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.187 -6.559 0.203 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.377 -6.267 1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.346 -8.612 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.648 -8.560 1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.076 -9.313 0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.798 -10.070 1.887 1.00 0.00 H new ATOM 945 N LEU A 57 7.396 -4.609 2.289 1.00 0.00 N ATOM 946 CA LEU A 57 6.402 -3.595 1.983 1.00 0.00 C ATOM 947 C LEU A 57 6.401 -3.328 0.485 1.00 0.00 C ATOM 948 O LEU A 57 5.345 -3.228 -0.137 1.00 0.00 O ATOM 949 CB LEU A 57 6.751 -2.296 2.739 1.00 0.00 C ATOM 950 CG LEU A 57 5.496 -1.430 2.993 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.663 -1.285 1.720 1.00 0.00 C ATOM 952 CD2 LEU A 57 4.644 -2.062 4.098 1.00 0.00 C ATOM 0 H LEU A 57 8.128 -4.302 2.930 1.00 0.00 H new ATOM 0 HA LEU A 57 5.415 -3.941 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.221 -2.544 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.478 -1.724 2.163 1.00 0.00 H new ATOM 0 HG LEU A 57 5.823 -0.438 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.786 -0.671 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.264 -0.810 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.344 -2.270 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.761 -1.448 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.336 -3.062 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.228 -2.127 5.016 1.00 0.00 H new ATOM 964 N GLU A 58 7.592 -3.252 -0.090 1.00 0.00 N ATOM 965 CA GLU A 58 7.748 -2.932 -1.501 1.00 0.00 C ATOM 966 C GLU A 58 7.015 -3.914 -2.388 1.00 0.00 C ATOM 967 O GLU A 58 6.418 -3.521 -3.396 1.00 0.00 O ATOM 968 CB GLU A 58 9.230 -2.915 -1.874 1.00 0.00 C ATOM 969 CG GLU A 58 9.905 -1.717 -1.202 1.00 0.00 C ATOM 970 CD GLU A 58 11.391 -1.701 -1.502 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.861 -2.581 -2.187 1.00 0.00 O ATOM 972 OE2 GLU A 58 12.045 -0.800 -1.045 1.00 0.00 O ATOM 0 H GLU A 58 8.471 -3.409 0.403 1.00 0.00 H new ATOM 0 HA GLU A 58 7.313 -1.945 -1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.708 -3.842 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.344 -2.852 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.448 -0.792 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.747 -1.762 -0.124 1.00 0.00 H new ATOM 979 N ASP A 59 7.088 -5.190 -2.054 1.00 0.00 N ATOM 980 CA ASP A 59 6.430 -6.194 -2.880 1.00 0.00 C ATOM 981 C ASP A 59 4.928 -5.965 -2.907 1.00 0.00 C ATOM 982 O ASP A 59 4.321 -5.917 -3.986 1.00 0.00 O ATOM 983 CB ASP A 59 6.749 -7.625 -2.384 1.00 0.00 C ATOM 984 CG ASP A 59 8.064 -8.130 -2.958 1.00 0.00 C ATOM 985 OD1 ASP A 59 8.631 -7.460 -3.793 1.00 0.00 O ATOM 986 OD2 ASP A 59 8.494 -9.179 -2.552 1.00 0.00 O ATOM 0 H ASP A 59 7.582 -5.552 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 59 6.816 -6.095 -3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.799 -7.632 -1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.942 -8.300 -2.670 1.00 0.00 H new ATOM 991 N ILE A 60 4.339 -5.766 -1.732 1.00 0.00 N ATOM 992 CA ILE A 60 2.914 -5.497 -1.643 1.00 0.00 C ATOM 993 C ILE A 60 2.566 -4.097 -2.134 1.00 0.00 C ATOM 994 O ILE A 60 1.658 -3.931 -2.961 1.00 0.00 O ATOM 995 CB ILE A 60 2.389 -5.753 -0.215 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.247 -5.001 0.810 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.425 -7.250 0.100 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.633 -5.146 2.207 1.00 0.00 C ATOM 0 H ILE A 60 4.825 -5.786 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 60 2.407 -6.195 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 60 1.361 -5.394 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.263 -5.395 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.313 -3.947 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.052 -7.418 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.798 -7.787 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.450 -7.613 0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.246 -4.610 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.625 -4.730 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.590 -6.201 2.478 1.00 0.00 H new ATOM 1010 N PHE A 61 3.342 -3.106 -1.707 1.00 0.00 N ATOM 1011 CA PHE A 61 3.148 -1.732 -2.164 1.00 0.00 C ATOM 1012 C PHE A 61 4.508 -1.084 -2.399 1.00 0.00 C ATOM 1013 O PHE A 61 5.378 -1.172 -1.541 1.00 0.00 O ATOM 1014 CB PHE A 61 2.397 -0.923 -1.091 1.00 0.00 C ATOM 1015 CG PHE A 61 1.108 -1.621 -0.710 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -0.043 -1.441 -1.477 1.00 0.00 C ATOM 1017 CD2 PHE A 61 1.075 -2.452 0.414 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.231 -2.094 -1.117 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.109 -3.104 0.772 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.263 -2.924 0.004 1.00 0.00 C ATOM 0 H PHE A 61 4.110 -3.227 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 61 2.569 -1.743 -3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.027 -0.803 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.179 0.077 -1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.020 -0.800 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.967 -2.591 1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.123 -1.954 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.132 -3.746 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.179 -3.427 0.278 1.00 0.00 H new