USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 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 37 LYS NZ :NH3+ -173:sc= 0.65 (180deg=-0.114) USER MOD Set 1.2: A 56 SER OG : rot 72:sc= 0.209 USER MOD Set 2.1: A 48 MET CE :methyl -157:sc= -0.161 (180deg=-0.964) USER MOD Set 2.2: A 52 SER OG : rot -120:sc= -2.89! USER MOD Set 3.1: A 27 ASN : amide:sc= -8.25! C(o=-10!,f=-10!) USER MOD Set 3.2: A 45 LYS NZ :NH3+ 178:sc= -1.78! (180deg=-1.88!) USER MOD Set 4.1: A 3 GLN : amide:sc= -3.36! C(o=-2.4!,f=-3.9!) USER MOD Set 4.2: A 66 GLN : amide:sc= 0.911 K(o=-2.4,f=-3.9) USER MOD Single : A 4 GLN : amide:sc= -0.526! X(o=-0.53!,f=-0.77) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= -0.651 (180deg=-1.07!) USER MOD Single : A 12 THR OG1 : rot -142:sc= -3.91! USER MOD Single : A 15 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.24! C(o=-1.2!,f=-8.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 73:sc= -0.369 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -150:sc= 0.851 (180deg=-0.42) USER MOD Single : A 43 ASN : amide:sc= 0.445 K(o=0.45,f=-0.081) USER MOD Single : A 46 SER OG : rot -160:sc= -0.787 USER MOD Single : A 51 MET CE :methyl -157:sc= -4.44! (180deg=-5.56!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -4.32! USER MOD Single : A 59 THR OG1 : rot 66:sc= -2.79! USER MOD Single : A 62 THR OG1 : rot 180:sc= -3.45! USER MOD Single : A 71 GLN :FLIP amide:sc= -3.46! C(o=-4.5!,f=-3.5!) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -2.61! (180deg=-3.5!) USER MOD Single : A 80 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 82 GLN : amide:sc= -7.46! C(o=-7.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.415 5.452 -2.462 1.00 0.00 N ATOM 2 CA VAL A 2 -17.899 4.984 -1.171 1.00 0.00 C ATOM 3 C VAL A 2 -16.807 4.132 -0.521 1.00 0.00 C ATOM 4 O VAL A 2 -16.211 3.293 -1.191 1.00 0.00 O ATOM 5 CB VAL A 2 -19.226 4.245 -1.360 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.028 2.931 -2.115 1.00 0.00 C ATOM 7 CG2 VAL A 2 -19.875 3.982 -0.005 1.00 0.00 C ATOM 0 HA VAL A 2 -18.106 5.814 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.884 4.878 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -19.989 2.431 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.603 3.136 -3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -18.350 2.288 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.819 3.456 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -19.209 3.372 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.062 4.930 0.499 1.00 0.00 H new ATOM 19 N GLN A 3 -16.497 4.368 0.755 1.00 0.00 N ATOM 20 CA GLN A 3 -15.390 3.685 1.400 1.00 0.00 C ATOM 21 C GLN A 3 -15.819 2.673 2.450 1.00 0.00 C ATOM 22 O GLN A 3 -16.521 3.019 3.398 1.00 0.00 O ATOM 23 CB GLN A 3 -14.514 4.727 2.091 1.00 0.00 C ATOM 24 CG GLN A 3 -13.155 4.154 2.477 1.00 0.00 C ATOM 25 CD GLN A 3 -12.348 5.210 3.209 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.798 6.108 2.583 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.286 5.122 4.532 1.00 0.00 N ATOM 0 H GLN A 3 -16.998 5.024 1.354 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.863 3.140 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.374 5.582 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.021 5.095 2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.285 3.277 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.620 3.826 1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.759 4.358 5.015 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.766 5.818 5.066 1.00 0.00 H new ATOM 36 N GLN A 4 -15.345 1.438 2.315 1.00 0.00 N ATOM 37 CA GLN A 4 -15.495 0.425 3.344 1.00 0.00 C ATOM 38 C GLN A 4 -14.126 -0.218 3.529 1.00 0.00 C ATOM 39 O GLN A 4 -13.266 -0.081 2.661 1.00 0.00 O ATOM 40 CB GLN A 4 -16.564 -0.598 2.961 1.00 0.00 C ATOM 41 CG GLN A 4 -17.962 -0.042 3.223 1.00 0.00 C ATOM 42 CD GLN A 4 -18.198 0.178 4.710 1.00 0.00 C ATOM 43 OE1 GLN A 4 -18.700 -0.701 5.401 1.00 0.00 O ATOM 44 NE2 GLN A 4 -17.823 1.344 5.222 1.00 0.00 N ATOM 0 H GLN A 4 -14.846 1.115 1.486 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.833 0.865 4.282 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.463 -0.860 1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.419 -1.515 3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.087 0.900 2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.710 -0.732 2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.408 2.055 4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.950 1.528 6.217 1.00 0.00 H new ATOM 53 N LYS A 5 -13.887 -0.890 4.651 1.00 0.00 N ATOM 54 CA LYS A 5 -12.606 -1.515 4.894 1.00 0.00 C ATOM 55 C LYS A 5 -12.779 -2.684 5.846 1.00 0.00 C ATOM 56 O LYS A 5 -13.572 -2.609 6.783 1.00 0.00 O ATOM 57 CB LYS A 5 -11.630 -0.479 5.450 1.00 0.00 C ATOM 58 CG LYS A 5 -12.321 0.572 6.323 1.00 0.00 C ATOM 59 CD LYS A 5 -12.655 -0.019 7.687 1.00 0.00 C ATOM 60 CE LYS A 5 -13.521 0.946 8.489 1.00 0.00 C ATOM 61 NZ LYS A 5 -13.832 0.385 9.814 1.00 0.00 N ATOM 0 H LYS A 5 -14.567 -1.012 5.401 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.196 -1.900 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.863 -0.986 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.123 0.018 4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.673 1.440 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.232 0.919 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.178 -0.967 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.736 -0.232 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.003 1.898 8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.445 1.149 7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.422 1.056 10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.345 -0.512 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.948 0.214 10.335 1.00 0.00 H new ATOM 75 N VAL A 6 -12.040 -3.759 5.599 1.00 0.00 N ATOM 76 CA VAL A 6 -12.074 -4.925 6.459 1.00 0.00 C ATOM 77 C VAL A 6 -10.678 -5.121 7.037 1.00 0.00 C ATOM 78 O VAL A 6 -9.711 -5.275 6.296 1.00 0.00 O ATOM 79 CB VAL A 6 -12.577 -6.147 5.686 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.023 -5.911 5.256 1.00 0.00 C ATOM 81 CG2 VAL A 6 -11.738 -6.407 4.437 1.00 0.00 C ATOM 0 H VAL A 6 -11.407 -3.843 4.803 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.774 -4.785 7.283 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.501 -7.013 6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.385 -6.779 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.644 -5.756 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.073 -5.029 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.125 -7.282 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.787 -5.540 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.702 -6.585 4.725 1.00 0.00 H new ATOM 91 N GLU A 7 -10.535 -5.047 8.357 1.00 0.00 N ATOM 92 CA GLU A 7 -9.219 -5.191 8.951 1.00 0.00 C ATOM 93 C GLU A 7 -8.839 -6.658 9.060 1.00 0.00 C ATOM 94 O GLU A 7 -9.652 -7.512 9.410 1.00 0.00 O ATOM 95 CB GLU A 7 -9.089 -4.429 10.276 1.00 0.00 C ATOM 96 CG GLU A 7 -10.246 -4.669 11.249 1.00 0.00 C ATOM 97 CD GLU A 7 -11.399 -3.704 11.001 1.00 0.00 C ATOM 98 OE1 GLU A 7 -11.333 -2.582 11.546 1.00 0.00 O ATOM 99 OE2 GLU A 7 -12.316 -4.107 10.252 1.00 0.00 O ATOM 0 H GLU A 7 -11.296 -4.892 9.018 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.494 -4.723 8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.156 -4.718 10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.021 -3.362 10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.601 -5.694 11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.890 -4.556 12.273 1.00 0.00 H new ATOM 106 N VAL A 8 -7.588 -6.930 8.715 1.00 0.00 N ATOM 107 CA VAL A 8 -7.020 -8.259 8.656 1.00 0.00 C ATOM 108 C VAL A 8 -5.613 -8.202 9.241 1.00 0.00 C ATOM 109 O VAL A 8 -5.010 -7.130 9.278 1.00 0.00 O ATOM 110 CB VAL A 8 -6.945 -8.651 7.179 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.334 -8.701 6.558 1.00 0.00 C ATOM 112 CG2 VAL A 8 -6.162 -7.576 6.434 1.00 0.00 C ATOM 0 H VAL A 8 -6.921 -6.201 8.460 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.617 -8.981 9.214 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.473 -9.631 7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.253 -8.982 5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.942 -9.437 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.803 -7.720 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.098 -7.839 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.670 -6.617 6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.158 -7.503 6.851 1.00 0.00 H new ATOM 122 N ARG A 9 -5.055 -9.322 9.691 1.00 0.00 N ATOM 123 CA ARG A 9 -3.676 -9.252 10.123 1.00 0.00 C ATOM 124 C ARG A 9 -2.838 -9.439 8.882 1.00 0.00 C ATOM 125 O ARG A 9 -2.991 -10.415 8.149 1.00 0.00 O ATOM 126 CB ARG A 9 -3.330 -10.254 11.222 1.00 0.00 C ATOM 127 CG ARG A 9 -1.816 -10.379 11.396 1.00 0.00 C ATOM 128 CD ARG A 9 -1.282 -11.431 10.421 1.00 0.00 C ATOM 129 NE ARG A 9 0.178 -11.507 10.471 1.00 0.00 N ATOM 130 CZ ARG A 9 0.856 -12.181 11.409 1.00 0.00 C ATOM 131 NH1 ARG A 9 0.197 -12.817 12.382 1.00 0.00 N ATOM 132 NH2 ARG A 9 2.191 -12.205 11.369 1.00 0.00 N ATOM 0 H ARG A 9 -5.508 -10.233 9.762 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.477 -8.288 10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.782 -9.938 12.162 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.753 -11.228 10.976 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.336 -9.418 11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.578 -10.662 12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.708 -12.405 10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.601 -11.187 9.408 1.00 0.00 H new ATOM 0 HE ARG A 9 0.710 -11.019 9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.822 -12.789 12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.713 -13.330 13.096 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.688 -11.712 10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.713 -12.716 12.080 1.00 0.00 H new ATOM 146 N LEU A 10 -1.944 -8.494 8.646 1.00 0.00 N ATOM 147 CA LEU A 10 -1.124 -8.538 7.468 1.00 0.00 C ATOM 148 C LEU A 10 -0.076 -9.633 7.560 1.00 0.00 C ATOM 149 O LEU A 10 1.097 -9.349 7.775 1.00 0.00 O ATOM 150 CB LEU A 10 -0.452 -7.182 7.294 1.00 0.00 C ATOM 151 CG LEU A 10 -0.335 -6.847 5.817 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.309 -8.111 4.969 1.00 0.00 C ATOM 153 CD2 LEU A 10 -1.552 -6.010 5.437 1.00 0.00 C ATOM 0 H LEU A 10 -1.775 -7.695 9.257 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.753 -8.762 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.030 -6.412 7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.537 -7.195 7.752 1.00 0.00 H new ATOM 0 HG LEU A 10 0.593 -6.304 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.225 -7.841 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.545 -8.724 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.229 -8.674 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.500 -5.751 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.460 -6.582 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.567 -5.098 6.033 1.00 0.00 H new ATOM 165 N LYS A 11 -0.461 -10.878 7.316 1.00 0.00 N ATOM 166 CA LYS A 11 0.474 -11.985 7.362 1.00 0.00 C ATOM 167 C LYS A 11 1.426 -11.890 6.163 1.00 0.00 C ATOM 168 O LYS A 11 2.564 -12.339 6.229 1.00 0.00 O ATOM 169 CB LYS A 11 -0.337 -13.275 7.416 1.00 0.00 C ATOM 170 CG LYS A 11 0.534 -14.497 7.168 1.00 0.00 C ATOM 171 CD LYS A 11 0.476 -14.729 5.663 1.00 0.00 C ATOM 172 CE LYS A 11 -0.984 -14.605 5.217 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.810 -15.583 5.947 1.00 0.00 N ATOM 0 H LYS A 11 -1.418 -11.144 7.084 1.00 0.00 H new ATOM 0 HA LYS A 11 1.108 -11.962 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.818 -13.362 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.132 -13.237 6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.558 -14.325 7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.162 -15.363 7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.096 -14.000 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.867 -15.716 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.347 -13.595 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.063 -14.777 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.738 -15.666 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.337 -16.509 5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.939 -15.265 6.929 1.00 0.00 H new ATOM 187 N THR A 12 0.965 -11.259 5.084 1.00 0.00 N ATOM 188 CA THR A 12 1.766 -10.915 3.920 1.00 0.00 C ATOM 189 C THR A 12 2.851 -9.906 4.314 1.00 0.00 C ATOM 190 O THR A 12 3.952 -9.916 3.772 1.00 0.00 O ATOM 191 CB THR A 12 0.862 -10.188 2.919 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.279 -10.961 2.638 1.00 0.00 O ATOM 193 CG2 THR A 12 1.581 -9.883 1.609 1.00 0.00 C ATOM 0 H THR A 12 -0.008 -10.966 4.998 1.00 0.00 H new ATOM 0 HA THR A 12 2.205 -11.824 3.510 1.00 0.00 H new ATOM 0 HB THR A 12 0.575 -9.244 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.505 -10.877 1.688 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.900 -9.368 0.932 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.445 -9.249 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.913 -10.815 1.151 1.00 0.00 H new ATOM 201 N GLY A 13 2.471 -8.977 5.205 1.00 0.00 N ATOM 202 CA GLY A 13 3.176 -7.749 5.545 1.00 0.00 C ATOM 203 C GLY A 13 3.713 -7.041 4.308 1.00 0.00 C ATOM 204 O GLY A 13 4.797 -6.471 4.341 1.00 0.00 O ATOM 0 H GLY A 13 1.606 -9.078 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.503 -7.081 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.001 -7.979 6.219 1.00 0.00 H new ATOM 208 N LEU A 14 2.974 -7.192 3.204 1.00 0.00 N ATOM 209 CA LEU A 14 3.105 -6.492 1.936 1.00 0.00 C ATOM 210 C LEU A 14 4.538 -6.153 1.580 1.00 0.00 C ATOM 211 O LEU A 14 4.869 -5.001 1.316 1.00 0.00 O ATOM 212 CB LEU A 14 2.145 -5.321 1.847 1.00 0.00 C ATOM 213 CG LEU A 14 0.743 -5.908 1.646 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.040 -6.093 2.977 1.00 0.00 C ATOM 215 CD2 LEU A 14 -0.135 -5.022 0.773 1.00 0.00 C ATOM 0 H LEU A 14 2.207 -7.864 3.180 1.00 0.00 H new ATOM 0 HA LEU A 14 2.803 -7.188 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.185 -4.719 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.412 -4.665 1.018 1.00 0.00 H new ATOM 0 HG LEU A 14 0.886 -6.868 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.953 -6.511 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.619 -6.773 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.052 -5.129 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.117 -5.481 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.243 -4.043 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.326 -4.907 -0.208 1.00 0.00 H new ATOM 227 N GLN A 15 5.378 -7.169 1.573 1.00 0.00 N ATOM 228 CA GLN A 15 6.785 -7.010 1.303 1.00 0.00 C ATOM 229 C GLN A 15 6.966 -6.723 -0.176 1.00 0.00 C ATOM 230 O GLN A 15 7.672 -5.776 -0.519 1.00 0.00 O ATOM 231 CB GLN A 15 7.529 -8.249 1.789 1.00 0.00 C ATOM 232 CG GLN A 15 7.262 -8.381 3.289 1.00 0.00 C ATOM 233 CD GLN A 15 7.649 -9.753 3.814 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.826 -10.065 3.956 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.659 -10.586 4.113 1.00 0.00 N ATOM 0 H GLN A 15 5.097 -8.132 1.756 1.00 0.00 H new ATOM 0 HA GLN A 15 7.210 -6.164 1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.185 -9.137 1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.598 -8.156 1.596 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.822 -7.615 3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.205 -8.201 3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.690 -10.294 3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.867 -11.517 4.473 1.00 0.00 H new ATOM 244 N ALA A 16 6.314 -7.497 -1.051 1.00 0.00 N ATOM 245 CA ALA A 16 6.423 -7.225 -2.475 1.00 0.00 C ATOM 246 C ALA A 16 5.708 -8.243 -3.343 1.00 0.00 C ATOM 247 O ALA A 16 4.872 -7.874 -4.162 1.00 0.00 O ATOM 248 CB ALA A 16 7.895 -7.195 -2.891 1.00 0.00 C ATOM 0 H ALA A 16 5.724 -8.291 -0.802 1.00 0.00 H new ATOM 0 HA ALA A 16 5.944 -6.259 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.967 -6.991 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.414 -6.413 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.354 -8.160 -2.674 1.00 0.00 H new ATOM 254 N ARG A 17 6.051 -9.517 -3.175 1.00 0.00 N ATOM 255 CA ARG A 17 5.580 -10.602 -4.025 1.00 0.00 C ATOM 256 C ARG A 17 4.059 -10.592 -4.151 1.00 0.00 C ATOM 257 O ARG A 17 3.523 -10.384 -5.237 1.00 0.00 O ATOM 258 CB ARG A 17 6.141 -11.930 -3.503 1.00 0.00 C ATOM 259 CG ARG A 17 5.717 -13.114 -4.373 1.00 0.00 C ATOM 260 CD ARG A 17 4.344 -13.642 -3.955 1.00 0.00 C ATOM 261 NE ARG A 17 4.402 -14.269 -2.632 1.00 0.00 N ATOM 262 CZ ARG A 17 3.328 -14.706 -1.963 1.00 0.00 C ATOM 263 NH1 ARG A 17 2.096 -14.462 -2.420 1.00 0.00 N ATOM 264 NH2 ARG A 17 3.509 -15.406 -0.842 1.00 0.00 N ATOM 0 H ARG A 17 6.675 -9.828 -2.431 1.00 0.00 H new ATOM 0 HA ARG A 17 5.951 -10.464 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.229 -11.876 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.799 -12.091 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.689 -12.809 -5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.456 -13.911 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.624 -12.823 -3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.990 -14.366 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 17 5.317 -14.379 -2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.968 -13.938 -3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.284 -14.799 -1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.453 -15.600 -0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.703 -15.748 -0.318 1.00 0.00 H new ATOM 278 N PRO A 18 3.354 -10.836 -3.049 1.00 0.00 N ATOM 279 CA PRO A 18 1.914 -10.826 -2.999 1.00 0.00 C ATOM 280 C PRO A 18 1.397 -9.400 -2.989 1.00 0.00 C ATOM 281 O PRO A 18 0.503 -9.050 -3.753 1.00 0.00 O ATOM 282 CB PRO A 18 1.583 -11.500 -1.665 1.00 0.00 C ATOM 283 CG PRO A 18 2.749 -11.032 -0.792 1.00 0.00 C ATOM 284 CD PRO A 18 3.909 -11.186 -1.765 1.00 0.00 C ATOM 0 HA PRO A 18 1.464 -11.327 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.619 -11.178 -1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.545 -12.586 -1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.626 -10.003 -0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.872 -11.648 0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.739 -10.531 -1.500 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.295 -12.205 -1.764 1.00 0.00 H new ATOM 292 N ALA A 19 1.954 -8.569 -2.110 1.00 0.00 N ATOM 293 CA ALA A 19 1.453 -7.239 -1.861 1.00 0.00 C ATOM 294 C ALA A 19 1.494 -6.324 -3.070 1.00 0.00 C ATOM 295 O ALA A 19 0.660 -5.425 -3.160 1.00 0.00 O ATOM 296 CB ALA A 19 2.209 -6.662 -0.697 1.00 0.00 C ATOM 0 H ALA A 19 2.772 -8.812 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 19 0.392 -7.318 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.846 -5.655 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.058 -7.289 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.272 -6.623 -0.937 1.00 0.00 H new ATOM 302 N ALA A 20 2.421 -6.544 -4.003 1.00 0.00 N ATOM 303 CA ALA A 20 2.410 -5.788 -5.245 1.00 0.00 C ATOM 304 C ALA A 20 1.113 -6.126 -5.974 1.00 0.00 C ATOM 305 O ALA A 20 0.425 -5.244 -6.480 1.00 0.00 O ATOM 306 CB ALA A 20 3.627 -6.144 -6.093 1.00 0.00 C ATOM 0 H ALA A 20 3.174 -7.227 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 20 2.459 -4.717 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.605 -5.570 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.537 -5.908 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.610 -7.209 -6.325 1.00 0.00 H new ATOM 312 N LEU A 21 0.759 -7.413 -5.971 1.00 0.00 N ATOM 313 CA LEU A 21 -0.486 -7.893 -6.528 1.00 0.00 C ATOM 314 C LEU A 21 -1.644 -7.310 -5.718 1.00 0.00 C ATOM 315 O LEU A 21 -2.650 -6.931 -6.311 1.00 0.00 O ATOM 316 CB LEU A 21 -0.471 -9.422 -6.541 1.00 0.00 C ATOM 317 CG LEU A 21 -1.571 -9.988 -7.435 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.267 -11.455 -7.719 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.920 -9.910 -6.734 1.00 0.00 C ATOM 0 H LEU A 21 1.342 -8.151 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.615 -7.567 -7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.500 -9.774 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.599 -9.796 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.607 -9.409 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.046 -11.871 -8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.304 -11.536 -8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.233 -12.008 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.693 -10.318 -7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.884 -10.486 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.151 -8.870 -6.504 1.00 0.00 H new ATOM 331 N PHE A 22 -1.491 -7.203 -4.389 1.00 0.00 N ATOM 332 CA PHE A 22 -2.466 -6.580 -3.498 1.00 0.00 C ATOM 333 C PHE A 22 -2.815 -5.202 -4.009 1.00 0.00 C ATOM 334 O PHE A 22 -3.956 -4.944 -4.385 1.00 0.00 O ATOM 335 CB PHE A 22 -1.859 -6.333 -2.124 1.00 0.00 C ATOM 336 CG PHE A 22 -1.824 -7.511 -1.204 1.00 0.00 C ATOM 337 CD1 PHE A 22 -1.328 -8.743 -1.645 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.212 -7.334 0.130 1.00 0.00 C ATOM 339 CE1 PHE A 22 -1.190 -9.803 -0.741 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.042 -8.382 1.043 1.00 0.00 C ATOM 341 CZ PHE A 22 -1.528 -9.613 0.606 1.00 0.00 C ATOM 0 H PHE A 22 -0.668 -7.556 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.326 -7.247 -3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.840 -5.971 -2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.420 -5.534 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.052 -8.876 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.639 -6.396 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.825 -10.762 -1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.306 -8.244 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.392 -10.419 1.312 1.00 0.00 H new ATOM 351 N VAL A 23 -1.806 -4.324 -3.982 1.00 0.00 N ATOM 352 CA VAL A 23 -1.894 -2.968 -4.478 1.00 0.00 C ATOM 353 C VAL A 23 -2.535 -3.008 -5.852 1.00 0.00 C ATOM 354 O VAL A 23 -3.461 -2.252 -6.118 1.00 0.00 O ATOM 355 CB VAL A 23 -0.482 -2.386 -4.534 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.400 -1.159 -5.435 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.068 -1.999 -3.119 1.00 0.00 C ATOM 0 H VAL A 23 -0.887 -4.554 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.502 -2.337 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 23 0.185 -3.141 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.622 -0.781 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.694 -1.432 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.070 -0.386 -5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.938 -1.581 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.763 -1.257 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.083 -2.883 -2.481 1.00 0.00 H new ATOM 367 N GLN A 24 -2.050 -3.899 -6.712 1.00 0.00 N ATOM 368 CA GLN A 24 -2.545 -4.098 -8.054 1.00 0.00 C ATOM 369 C GLN A 24 -4.052 -4.391 -8.091 1.00 0.00 C ATOM 370 O GLN A 24 -4.746 -3.848 -8.939 1.00 0.00 O ATOM 371 CB GLN A 24 -1.699 -5.215 -8.661 1.00 0.00 C ATOM 372 CG GLN A 24 -2.132 -5.537 -10.084 1.00 0.00 C ATOM 373 CD GLN A 24 -2.848 -6.877 -10.183 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.093 -7.358 -11.285 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.197 -7.499 -9.059 1.00 0.00 N ATOM 0 H GLN A 24 -1.275 -4.519 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.447 -3.187 -8.644 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.650 -4.920 -8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.781 -6.110 -8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.791 -4.748 -10.448 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.257 -5.547 -10.734 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.982 -7.078 -8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.680 -8.397 -9.102 1.00 0.00 H new ATOM 384 N GLU A 25 -4.568 -5.232 -7.192 1.00 0.00 N ATOM 385 CA GLU A 25 -5.967 -5.624 -7.147 1.00 0.00 C ATOM 386 C GLU A 25 -6.811 -4.510 -6.574 1.00 0.00 C ATOM 387 O GLU A 25 -7.795 -4.106 -7.186 1.00 0.00 O ATOM 388 CB GLU A 25 -6.147 -6.841 -6.242 1.00 0.00 C ATOM 389 CG GLU A 25 -5.334 -8.040 -6.707 1.00 0.00 C ATOM 390 CD GLU A 25 -5.954 -8.709 -7.923 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.177 -8.529 -8.117 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.185 -9.403 -8.624 1.00 0.00 O ATOM 0 H GLU A 25 -4.006 -5.666 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.277 -5.852 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.854 -6.580 -5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.202 -7.112 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.320 -7.720 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.257 -8.763 -5.895 1.00 0.00 H new ATOM 399 N ALA A 26 -6.422 -4.018 -5.396 1.00 0.00 N ATOM 400 CA ALA A 26 -7.063 -2.874 -4.766 1.00 0.00 C ATOM 401 C ALA A 26 -7.186 -1.764 -5.807 1.00 0.00 C ATOM 402 O ALA A 26 -8.224 -1.123 -5.923 1.00 0.00 O ATOM 403 CB ALA A 26 -6.205 -2.405 -3.598 1.00 0.00 C ATOM 0 H ALA A 26 -5.650 -4.407 -4.854 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.052 -3.140 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.678 -1.547 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.103 -3.213 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.219 -2.118 -3.963 1.00 0.00 H new ATOM 409 N ASN A 27 -6.105 -1.601 -6.569 1.00 0.00 N ATOM 410 CA ASN A 27 -5.951 -0.698 -7.694 1.00 0.00 C ATOM 411 C ASN A 27 -6.842 -1.041 -8.876 1.00 0.00 C ATOM 412 O ASN A 27 -7.231 -0.146 -9.619 1.00 0.00 O ATOM 413 CB ASN A 27 -4.534 -0.838 -8.216 1.00 0.00 C ATOM 414 CG ASN A 27 -3.706 0.392 -7.872 1.00 0.00 C ATOM 415 OD1 ASN A 27 -4.066 1.516 -8.205 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.615 0.176 -7.147 1.00 0.00 N ATOM 0 H ASN A 27 -5.255 -2.139 -6.398 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.207 0.296 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.070 -1.726 -7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.552 -0.979 -9.297 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.040 0.962 -6.845 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.352 -0.776 -6.892 1.00 0.00 H new ATOM 423 N ARG A 28 -7.094 -2.334 -9.096 1.00 0.00 N ATOM 424 CA ARG A 28 -7.956 -2.784 -10.186 1.00 0.00 C ATOM 425 C ARG A 28 -9.311 -2.172 -9.910 1.00 0.00 C ATOM 426 O ARG A 28 -9.962 -1.560 -10.754 1.00 0.00 O ATOM 427 CB ARG A 28 -8.127 -4.300 -10.145 1.00 0.00 C ATOM 428 CG ARG A 28 -6.834 -5.055 -10.426 1.00 0.00 C ATOM 429 CD ARG A 28 -7.158 -6.546 -10.458 1.00 0.00 C ATOM 430 NE ARG A 28 -6.042 -7.316 -11.008 1.00 0.00 N ATOM 431 CZ ARG A 28 -6.145 -8.591 -11.398 1.00 0.00 C ATOM 432 NH1 ARG A 28 -7.299 -9.249 -11.249 1.00 0.00 N ATOM 433 NH2 ARG A 28 -5.079 -9.198 -11.923 1.00 0.00 N ATOM 0 H ARG A 28 -6.710 -3.090 -8.529 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.534 -2.501 -11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.505 -4.591 -9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.879 -4.595 -10.877 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.406 -4.737 -11.377 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.093 -4.842 -9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.382 -6.894 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.051 -6.714 -11.059 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.136 -6.855 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.105 -8.779 -10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.374 -10.221 -11.548 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.200 -8.690 -12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.143 -10.170 -12.225 1.00 0.00 H new ATOM 447 N PHE A 29 -9.697 -2.381 -8.659 1.00 0.00 N ATOM 448 CA PHE A 29 -10.852 -1.805 -8.051 1.00 0.00 C ATOM 449 C PHE A 29 -10.796 -0.294 -8.210 1.00 0.00 C ATOM 450 O PHE A 29 -9.829 0.361 -7.824 1.00 0.00 O ATOM 451 CB PHE A 29 -10.795 -2.250 -6.602 1.00 0.00 C ATOM 452 CG PHE A 29 -11.120 -3.721 -6.484 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.100 -4.268 -7.329 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.264 -4.575 -5.771 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.198 -5.654 -7.503 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.391 -5.967 -5.907 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.331 -6.504 -6.804 1.00 0.00 C ATOM 0 H PHE A 29 -9.178 -2.988 -8.024 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.792 -2.121 -8.503 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.802 -2.058 -6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.500 -1.668 -6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.784 -3.614 -7.849 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.509 -4.162 -5.119 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.938 -6.066 -8.173 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.766 -6.626 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.385 -7.572 -6.954 1.00 0.00 H new ATOM 467 N THR A 30 -11.862 0.264 -8.772 1.00 0.00 N ATOM 468 CA THR A 30 -11.977 1.695 -9.013 1.00 0.00 C ATOM 469 C THR A 30 -12.360 2.394 -7.707 1.00 0.00 C ATOM 470 O THR A 30 -13.365 3.095 -7.617 1.00 0.00 O ATOM 471 CB THR A 30 -13.007 1.898 -10.123 1.00 0.00 C ATOM 472 OG1 THR A 30 -12.534 1.301 -11.312 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.246 3.377 -10.378 1.00 0.00 C ATOM 0 H THR A 30 -12.677 -0.270 -9.075 1.00 0.00 H new ATOM 0 HA THR A 30 -11.034 2.134 -9.339 1.00 0.00 H new ATOM 0 HB THR A 30 -13.945 1.438 -9.811 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.193 1.428 -12.026 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.983 3.495 -11.172 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.616 3.848 -9.467 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.311 3.850 -10.678 1.00 0.00 H new ATOM 481 N SER A 31 -11.535 2.194 -6.687 1.00 0.00 N ATOM 482 CA SER A 31 -11.770 2.624 -5.341 1.00 0.00 C ATOM 483 C SER A 31 -10.548 3.293 -4.744 1.00 0.00 C ATOM 484 O SER A 31 -9.416 2.864 -4.963 1.00 0.00 O ATOM 485 CB SER A 31 -12.084 1.371 -4.521 1.00 0.00 C ATOM 486 OG SER A 31 -13.046 0.555 -5.171 1.00 0.00 O ATOM 0 H SER A 31 -10.647 1.704 -6.795 1.00 0.00 H new ATOM 0 HA SER A 31 -12.586 3.347 -5.331 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.169 0.800 -4.361 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.455 1.661 -3.538 1.00 0.00 H new ATOM 0 HG SER A 31 -12.632 0.111 -5.940 1.00 0.00 H new ATOM 492 N ASP A 32 -10.796 4.323 -3.939 1.00 0.00 N ATOM 493 CA ASP A 32 -9.773 4.961 -3.136 1.00 0.00 C ATOM 494 C ASP A 32 -9.473 3.948 -2.041 1.00 0.00 C ATOM 495 O ASP A 32 -10.090 3.976 -0.981 1.00 0.00 O ATOM 496 CB ASP A 32 -10.327 6.258 -2.544 1.00 0.00 C ATOM 497 CG ASP A 32 -10.653 7.291 -3.613 1.00 0.00 C ATOM 498 OD1 ASP A 32 -9.737 8.076 -3.935 1.00 0.00 O ATOM 499 OD2 ASP A 32 -11.811 7.273 -4.089 1.00 0.00 O ATOM 0 H ASP A 32 -11.722 4.737 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.880 5.226 -3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.227 6.037 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.600 6.676 -1.848 1.00 0.00 H new ATOM 504 N VAL A 33 -8.643 2.960 -2.349 1.00 0.00 N ATOM 505 CA VAL A 33 -8.389 1.885 -1.416 1.00 0.00 C ATOM 506 C VAL A 33 -7.387 2.308 -0.361 1.00 0.00 C ATOM 507 O VAL A 33 -6.496 3.125 -0.600 1.00 0.00 O ATOM 508 CB VAL A 33 -7.956 0.621 -2.152 1.00 0.00 C ATOM 509 CG1 VAL A 33 -8.952 0.343 -3.273 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.551 0.805 -2.713 1.00 0.00 C ATOM 0 H VAL A 33 -8.140 2.886 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.318 1.651 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.939 -0.226 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.655 -0.559 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.947 0.202 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.967 1.186 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.247 -0.101 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.543 1.646 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.856 1.002 -1.897 1.00 0.00 H new ATOM 520 N PHE A 34 -7.523 1.714 0.813 1.00 0.00 N ATOM 521 CA PHE A 34 -6.661 2.016 1.928 1.00 0.00 C ATOM 522 C PHE A 34 -6.280 0.748 2.664 1.00 0.00 C ATOM 523 O PHE A 34 -6.746 -0.343 2.353 1.00 0.00 O ATOM 524 CB PHE A 34 -7.317 3.019 2.884 1.00 0.00 C ATOM 525 CG PHE A 34 -7.610 4.378 2.293 1.00 0.00 C ATOM 526 CD1 PHE A 34 -8.842 4.631 1.669 1.00 0.00 C ATOM 527 CD2 PHE A 34 -6.667 5.410 2.416 1.00 0.00 C ATOM 528 CE1 PHE A 34 -9.135 5.918 1.187 1.00 0.00 C ATOM 529 CE2 PHE A 34 -6.964 6.702 1.947 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.205 6.959 1.343 1.00 0.00 C ATOM 0 H PHE A 34 -8.235 1.011 1.013 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.754 2.475 1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.251 2.591 3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.667 3.150 3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.565 3.836 1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.709 5.211 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.078 6.107 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.239 7.495 2.051 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.444 7.955 0.999 1.00 0.00 H new ATOM 540 N LEU A 35 -5.412 0.903 3.644 1.00 0.00 N ATOM 541 CA LEU A 35 -5.011 -0.142 4.544 1.00 0.00 C ATOM 542 C LEU A 35 -4.683 0.611 5.807 1.00 0.00 C ATOM 543 O LEU A 35 -3.899 1.556 5.776 1.00 0.00 O ATOM 544 CB LEU A 35 -3.836 -0.936 3.992 1.00 0.00 C ATOM 545 CG LEU A 35 -3.597 -2.150 4.885 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.869 -2.994 4.926 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.459 -2.985 4.308 1.00 0.00 C ATOM 0 H LEU A 35 -4.955 1.794 3.836 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.776 -0.901 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.043 -1.254 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.943 -0.312 3.957 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.336 -1.823 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.708 -3.864 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.688 -2.398 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.120 -3.323 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.286 -3.853 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.724 -3.318 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.552 -2.382 4.263 1.00 0.00 H new ATOM 559 N GLU A 36 -5.387 0.277 6.874 1.00 0.00 N ATOM 560 CA GLU A 36 -5.302 1.042 8.090 1.00 0.00 C ATOM 561 C GLU A 36 -4.846 0.136 9.219 1.00 0.00 C ATOM 562 O GLU A 36 -5.665 -0.591 9.775 1.00 0.00 O ATOM 563 CB GLU A 36 -6.675 1.646 8.383 1.00 0.00 C ATOM 564 CG GLU A 36 -7.617 1.651 7.176 1.00 0.00 C ATOM 565 CD GLU A 36 -9.026 2.006 7.617 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.308 3.220 7.686 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.791 1.058 7.889 1.00 0.00 O ATOM 0 H GLU A 36 -6.022 -0.520 6.916 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.578 1.850 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.142 1.088 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.544 2.669 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.267 2.370 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.613 0.672 6.697 1.00 0.00 H new ATOM 574 N LYS A 37 -3.561 0.186 9.569 1.00 0.00 N ATOM 575 CA LYS A 37 -2.966 -0.644 10.604 1.00 0.00 C ATOM 576 C LYS A 37 -3.673 -0.415 11.924 1.00 0.00 C ATOM 577 O LYS A 37 -3.353 0.539 12.629 1.00 0.00 O ATOM 578 CB LYS A 37 -1.490 -0.297 10.733 1.00 0.00 C ATOM 579 CG LYS A 37 -0.664 -0.919 9.620 1.00 0.00 C ATOM 580 CD LYS A 37 0.795 -0.558 9.873 1.00 0.00 C ATOM 581 CE LYS A 37 1.167 -1.122 11.241 1.00 0.00 C ATOM 582 NZ LYS A 37 2.488 -0.642 11.678 1.00 0.00 N ATOM 0 H LYS A 37 -2.894 0.820 9.128 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.070 -1.695 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.368 0.786 10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.118 -0.643 11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.794 -2.001 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.988 -0.546 8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.435 -0.977 9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.933 0.523 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.413 -0.833 11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.169 -2.211 11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.764 -1.133 12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.190 -0.835 10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.444 0.382 11.855 1.00 0.00 H new ATOM 596 N ASP A 38 -4.665 -1.251 12.231 1.00 0.00 N ATOM 597 CA ASP A 38 -5.512 -1.078 13.395 1.00 0.00 C ATOM 598 C ASP A 38 -6.071 0.345 13.407 1.00 0.00 C ATOM 599 O ASP A 38 -6.236 0.942 14.467 1.00 0.00 O ATOM 600 CB ASP A 38 -4.704 -1.385 14.651 1.00 0.00 C ATOM 601 CG ASP A 38 -4.404 -2.877 14.755 1.00 0.00 C ATOM 602 OD1 ASP A 38 -3.375 -3.305 14.187 1.00 0.00 O ATOM 603 OD2 ASP A 38 -5.225 -3.574 15.391 1.00 0.00 O ATOM 0 H ASP A 38 -4.899 -2.071 11.671 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.357 -1.766 13.362 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.770 -0.823 14.634 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.256 -1.059 15.532 1.00 0.00 H new ATOM 608 N GLY A 39 -6.334 0.906 12.221 1.00 0.00 N ATOM 609 CA GLY A 39 -6.790 2.280 12.139 1.00 0.00 C ATOM 610 C GLY A 39 -5.807 3.177 11.380 1.00 0.00 C ATOM 611 O GLY A 39 -6.216 4.182 10.802 1.00 0.00 O ATOM 0 H GLY A 39 -6.238 0.431 11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.761 2.309 11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.934 2.673 13.145 1.00 0.00 H new ATOM 615 N LYS A 40 -4.518 2.820 11.341 1.00 0.00 N ATOM 616 CA LYS A 40 -3.497 3.609 10.673 1.00 0.00 C ATOM 617 C LYS A 40 -3.651 3.463 9.164 1.00 0.00 C ATOM 618 O LYS A 40 -2.917 2.693 8.547 1.00 0.00 O ATOM 619 CB LYS A 40 -2.126 3.083 11.090 1.00 0.00 C ATOM 620 CG LYS A 40 -1.972 2.990 12.607 1.00 0.00 C ATOM 621 CD LYS A 40 -0.526 2.613 12.914 1.00 0.00 C ATOM 622 CE LYS A 40 0.393 3.655 12.280 1.00 0.00 C ATOM 623 NZ LYS A 40 1.810 3.313 12.486 1.00 0.00 N ATOM 0 H LYS A 40 -4.160 1.970 11.777 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.598 4.659 10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.970 2.098 10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.352 3.737 10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.225 3.942 13.074 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.655 2.244 13.014 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.366 2.573 13.991 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.302 1.621 12.521 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.185 3.725 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.187 4.635 12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.410 4.039 12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.012 3.270 13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.010 2.388 12.054 1.00 0.00 H new ATOM 637 N LYS A 41 -4.631 4.133 8.566 1.00 0.00 N ATOM 638 CA LYS A 41 -4.879 3.914 7.156 1.00 0.00 C ATOM 639 C LYS A 41 -3.997 4.749 6.227 1.00 0.00 C ATOM 640 O LYS A 41 -3.561 5.850 6.558 1.00 0.00 O ATOM 641 CB LYS A 41 -6.367 4.058 6.840 1.00 0.00 C ATOM 642 CG LYS A 41 -6.725 5.120 5.811 1.00 0.00 C ATOM 643 CD LYS A 41 -6.488 6.497 6.431 1.00 0.00 C ATOM 644 CE LYS A 41 -6.400 7.580 5.360 1.00 0.00 C ATOM 645 NZ LYS A 41 -5.134 7.468 4.617 1.00 0.00 N ATOM 0 H LYS A 41 -5.245 4.809 9.021 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.585 2.885 6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.739 3.096 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.896 4.283 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.117 4.999 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.766 5.016 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.298 6.731 7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.566 6.482 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.241 7.489 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.471 8.564 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.840 8.410 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.400 7.075 5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.266 6.840 3.798 1.00 0.00 H new ATOM 659 N VAL A 42 -3.822 4.217 5.021 1.00 0.00 N ATOM 660 CA VAL A 42 -3.096 4.794 3.895 1.00 0.00 C ATOM 661 C VAL A 42 -3.673 4.212 2.623 1.00 0.00 C ATOM 662 O VAL A 42 -4.383 3.215 2.696 1.00 0.00 O ATOM 663 CB VAL A 42 -1.614 4.438 3.961 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.921 5.239 5.057 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.495 2.936 4.210 1.00 0.00 C ATOM 0 H VAL A 42 -4.213 3.304 4.789 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.195 5.879 3.922 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.122 4.690 3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.135 4.972 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.020 6.304 4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.382 5.014 6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.442 2.658 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.983 2.683 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.975 2.393 3.396 1.00 0.00 H new ATOM 675 N ASN A 43 -3.410 4.826 1.470 1.00 0.00 N ATOM 676 CA ASN A 43 -3.910 4.299 0.218 1.00 0.00 C ATOM 677 C ASN A 43 -3.240 2.973 -0.065 1.00 0.00 C ATOM 678 O ASN A 43 -2.071 2.916 -0.434 1.00 0.00 O ATOM 679 CB ASN A 43 -3.720 5.294 -0.920 1.00 0.00 C ATOM 680 CG ASN A 43 -4.826 6.334 -0.884 1.00 0.00 C ATOM 681 OD1 ASN A 43 -4.565 7.525 -0.754 1.00 0.00 O ATOM 682 ND2 ASN A 43 -6.073 5.884 -0.953 1.00 0.00 N ATOM 0 H ASN A 43 -2.858 5.680 1.385 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.984 4.134 0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.748 5.780 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.730 4.772 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.855 6.537 -0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.250 4.885 -1.061 1.00 0.00 H new ATOM 689 N ALA A 44 -4.031 1.921 0.114 1.00 0.00 N ATOM 690 CA ALA A 44 -3.679 0.516 -0.027 1.00 0.00 C ATOM 691 C ALA A 44 -2.955 0.233 -1.335 1.00 0.00 C ATOM 692 O ALA A 44 -1.983 -0.514 -1.379 1.00 0.00 O ATOM 693 CB ALA A 44 -4.971 -0.298 -0.023 1.00 0.00 C ATOM 0 H ALA A 44 -5.008 2.039 0.382 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.016 0.249 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.734 -1.357 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.500 -0.136 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.602 0.017 -0.854 1.00 0.00 H new ATOM 699 N LYS A 45 -3.458 0.843 -2.405 1.00 0.00 N ATOM 700 CA LYS A 45 -2.934 0.679 -3.749 1.00 0.00 C ATOM 701 C LYS A 45 -1.731 1.590 -4.028 1.00 0.00 C ATOM 702 O LYS A 45 -1.186 1.584 -5.131 1.00 0.00 O ATOM 703 CB LYS A 45 -4.070 0.980 -4.716 1.00 0.00 C ATOM 704 CG LYS A 45 -4.610 2.393 -4.499 1.00 0.00 C ATOM 705 CD LYS A 45 -5.438 2.739 -5.730 1.00 0.00 C ATOM 706 CE LYS A 45 -6.629 1.784 -5.863 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.355 1.993 -7.128 1.00 0.00 N ATOM 0 H LYS A 45 -4.256 1.476 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.569 -0.341 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.717 0.875 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.872 0.255 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.220 2.440 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.794 3.104 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.795 3.766 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.815 2.679 -6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.277 0.754 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.309 1.931 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.134 1.307 -7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.741 2.958 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.704 1.861 -7.928 1.00 0.00 H new ATOM 721 N SER A 46 -1.373 2.415 -3.048 1.00 0.00 N ATOM 722 CA SER A 46 -0.291 3.369 -3.074 1.00 0.00 C ATOM 723 C SER A 46 0.949 2.893 -2.323 1.00 0.00 C ATOM 724 O SER A 46 0.890 1.996 -1.482 1.00 0.00 O ATOM 725 CB SER A 46 -0.801 4.632 -2.394 1.00 0.00 C ATOM 726 OG SER A 46 -1.845 5.208 -3.155 1.00 0.00 O ATOM 0 H SER A 46 -1.871 2.428 -2.158 1.00 0.00 H new ATOM 0 HA SER A 46 0.004 3.525 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.159 4.395 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.014 5.347 -2.281 1.00 0.00 H new ATOM 0 HG SER A 46 -1.951 6.150 -2.905 1.00 0.00 H new ATOM 732 N ILE A 47 2.062 3.584 -2.584 1.00 0.00 N ATOM 733 CA ILE A 47 3.365 3.355 -1.973 1.00 0.00 C ATOM 734 C ILE A 47 3.270 3.186 -0.457 1.00 0.00 C ATOM 735 O ILE A 47 3.696 2.169 0.072 1.00 0.00 O ATOM 736 CB ILE A 47 4.304 4.506 -2.368 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.757 4.215 -1.981 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.849 5.834 -1.754 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.995 4.354 -0.478 1.00 0.00 C ATOM 0 H ILE A 47 2.075 4.351 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 47 3.773 2.416 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 47 4.255 4.592 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.020 3.205 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.417 4.898 -2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.535 6.627 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.845 6.072 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.844 5.750 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.039 4.138 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.760 5.371 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.356 3.652 0.058 1.00 0.00 H new ATOM 751 N MET A 48 2.709 4.168 0.248 1.00 0.00 N ATOM 752 CA MET A 48 2.607 4.128 1.695 1.00 0.00 C ATOM 753 C MET A 48 1.559 3.115 2.159 1.00 0.00 C ATOM 754 O MET A 48 1.633 2.607 3.281 1.00 0.00 O ATOM 755 CB MET A 48 2.309 5.540 2.186 1.00 0.00 C ATOM 756 CG MET A 48 2.132 5.511 3.701 1.00 0.00 C ATOM 757 SD MET A 48 2.022 7.133 4.484 1.00 0.00 S ATOM 758 CE MET A 48 3.670 7.732 4.068 1.00 0.00 C ATOM 0 H MET A 48 2.315 5.009 -0.173 1.00 0.00 H new ATOM 0 HA MET A 48 3.549 3.789 2.127 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.123 6.213 1.915 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.407 5.922 1.709 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.229 4.948 3.936 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.969 4.968 4.140 1.00 0.00 H new ATOM 0 HE1 MET A 48 3.962 8.511 4.772 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.381 6.908 4.123 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.665 8.140 3.057 1.00 0.00 H new ATOM 768 N GLY A 49 0.582 2.816 1.301 1.00 0.00 N ATOM 769 CA GLY A 49 -0.415 1.815 1.605 1.00 0.00 C ATOM 770 C GLY A 49 0.305 0.486 1.702 1.00 0.00 C ATOM 771 O GLY A 49 0.151 -0.215 2.696 1.00 0.00 O ATOM 0 H GLY A 49 0.469 3.260 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.922 2.048 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.179 1.784 0.828 1.00 0.00 H new ATOM 775 N LEU A 50 1.124 0.172 0.696 1.00 0.00 N ATOM 776 CA LEU A 50 1.934 -1.016 0.687 1.00 0.00 C ATOM 777 C LEU A 50 3.063 -0.936 1.693 1.00 0.00 C ATOM 778 O LEU A 50 3.007 -1.539 2.753 1.00 0.00 O ATOM 779 CB LEU A 50 2.574 -1.130 -0.683 1.00 0.00 C ATOM 780 CG LEU A 50 2.341 -2.522 -1.257 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.368 -3.459 -0.650 1.00 0.00 C ATOM 782 CD2 LEU A 50 0.974 -3.054 -0.854 1.00 0.00 C ATOM 0 H LEU A 50 1.234 0.751 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 50 1.296 -1.865 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.156 -0.378 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.644 -0.933 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 50 2.413 -2.466 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.222 -4.464 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.370 -3.112 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.250 -3.475 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.832 -4.049 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.911 -3.108 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.199 -2.386 -1.230 1.00 0.00 H new ATOM 794 N MET A 51 4.095 -0.180 1.332 1.00 0.00 N ATOM 795 CA MET A 51 5.361 -0.105 2.021 1.00 0.00 C ATOM 796 C MET A 51 5.212 0.282 3.483 1.00 0.00 C ATOM 797 O MET A 51 5.963 -0.186 4.333 1.00 0.00 O ATOM 798 CB MET A 51 6.244 0.912 1.301 1.00 0.00 C ATOM 799 CG MET A 51 7.658 0.887 1.878 1.00 0.00 C ATOM 800 SD MET A 51 8.709 2.243 1.311 1.00 0.00 S ATOM 801 CE MET A 51 7.776 3.619 2.007 1.00 0.00 C ATOM 0 H MET A 51 4.061 0.423 0.510 1.00 0.00 H new ATOM 0 HA MET A 51 5.814 -1.096 2.006 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.275 0.687 0.235 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.819 1.910 1.404 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.596 0.920 2.966 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.130 -0.059 1.614 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.004 4.530 1.453 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.709 3.408 1.936 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.050 3.752 3.053 1.00 0.00 H new ATOM 811 N SER A 52 4.302 1.205 3.766 1.00 0.00 N ATOM 812 CA SER A 52 4.134 1.655 5.131 1.00 0.00 C ATOM 813 C SER A 52 3.234 0.730 5.946 1.00 0.00 C ATOM 814 O SER A 52 3.679 0.008 6.839 1.00 0.00 O ATOM 815 CB SER A 52 3.631 3.098 5.138 1.00 0.00 C ATOM 816 OG SER A 52 4.489 3.908 4.357 1.00 0.00 O ATOM 0 H SER A 52 3.685 1.645 3.083 1.00 0.00 H new ATOM 0 HA SER A 52 5.107 1.622 5.622 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.616 3.141 4.743 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.591 3.474 6.160 1.00 0.00 H new ATOM 0 HG SER A 52 4.869 4.617 4.917 1.00 0.00 H new ATOM 822 N LEU A 53 1.938 0.776 5.651 1.00 0.00 N ATOM 823 CA LEU A 53 0.960 0.073 6.462 1.00 0.00 C ATOM 824 C LEU A 53 0.960 -1.419 6.181 1.00 0.00 C ATOM 825 O LEU A 53 1.185 -2.226 7.083 1.00 0.00 O ATOM 826 CB LEU A 53 -0.411 0.689 6.248 1.00 0.00 C ATOM 827 CG LEU A 53 -0.463 2.034 6.978 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.047 1.878 8.437 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.462 3.069 6.343 1.00 0.00 C ATOM 0 H LEU A 53 1.547 1.290 4.862 1.00 0.00 H new ATOM 0 HA LEU A 53 1.232 0.183 7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.601 0.829 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.188 0.024 6.625 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.495 2.376 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.092 2.847 8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.722 1.183 8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.971 1.492 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.392 4.007 6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.489 2.706 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.166 3.234 5.307 1.00 0.00 H new ATOM 841 N ALA A 54 0.715 -1.771 4.921 1.00 0.00 N ATOM 842 CA ALA A 54 0.658 -3.133 4.430 1.00 0.00 C ATOM 843 C ALA A 54 1.904 -3.924 4.816 1.00 0.00 C ATOM 844 O ALA A 54 1.808 -5.079 5.214 1.00 0.00 O ATOM 845 CB ALA A 54 0.482 -3.075 2.911 1.00 0.00 C ATOM 0 H ALA A 54 0.545 -1.081 4.189 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.184 -3.655 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.436 -4.088 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.441 -2.548 2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.326 -2.548 2.467 1.00 0.00 H new ATOM 851 N VAL A 55 3.070 -3.288 4.737 1.00 0.00 N ATOM 852 CA VAL A 55 4.347 -3.900 5.059 1.00 0.00 C ATOM 853 C VAL A 55 4.460 -4.248 6.542 1.00 0.00 C ATOM 854 O VAL A 55 5.358 -4.980 6.956 1.00 0.00 O ATOM 855 CB VAL A 55 5.493 -3.004 4.576 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.857 -3.534 5.012 1.00 0.00 C ATOM 857 CG2 VAL A 55 5.513 -2.959 3.055 1.00 0.00 C ATOM 0 H VAL A 55 3.150 -2.315 4.441 1.00 0.00 H new ATOM 0 HA VAL A 55 4.417 -4.850 4.529 1.00 0.00 H new ATOM 0 HB VAL A 55 5.320 -2.020 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.639 -2.868 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.898 -3.581 6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.009 -4.531 4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.330 -2.320 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.656 -3.966 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.567 -2.559 2.690 1.00 0.00 H new ATOM 867 N SER A 56 3.537 -3.768 7.366 1.00 0.00 N ATOM 868 CA SER A 56 3.570 -4.072 8.772 1.00 0.00 C ATOM 869 C SER A 56 2.965 -5.448 9.049 1.00 0.00 C ATOM 870 O SER A 56 1.919 -5.556 9.692 1.00 0.00 O ATOM 871 CB SER A 56 2.855 -2.942 9.501 1.00 0.00 C ATOM 872 OG SER A 56 3.524 -1.712 9.255 1.00 0.00 O ATOM 0 H SER A 56 2.763 -3.170 7.077 1.00 0.00 H new ATOM 0 HA SER A 56 4.595 -4.133 9.138 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.820 -2.877 9.165 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.830 -3.146 10.572 1.00 0.00 H new ATOM 0 HG SER A 56 3.369 -1.435 8.328 1.00 0.00 H new ATOM 878 N THR A 57 3.635 -6.497 8.562 1.00 0.00 N ATOM 879 CA THR A 57 3.286 -7.888 8.776 1.00 0.00 C ATOM 880 C THR A 57 2.833 -8.159 10.209 1.00 0.00 C ATOM 881 O THR A 57 3.596 -7.980 11.155 1.00 0.00 O ATOM 882 CB THR A 57 4.504 -8.756 8.467 1.00 0.00 C ATOM 883 OG1 THR A 57 5.271 -8.177 7.430 1.00 0.00 O ATOM 884 CG2 THR A 57 4.008 -10.130 8.033 1.00 0.00 C ATOM 0 H THR A 57 4.469 -6.386 7.985 1.00 0.00 H new ATOM 0 HA THR A 57 2.453 -8.128 8.115 1.00 0.00 H new ATOM 0 HB THR A 57 5.134 -8.839 9.353 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.049 -8.743 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.861 -10.770 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.423 -10.576 8.837 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.385 -10.028 7.145 1.00 0.00 H new ATOM 892 N GLY A 58 1.588 -8.597 10.361 1.00 0.00 N ATOM 893 CA GLY A 58 1.027 -8.914 11.663 1.00 0.00 C ATOM 894 C GLY A 58 0.108 -7.819 12.193 1.00 0.00 C ATOM 895 O GLY A 58 -0.590 -8.037 13.178 1.00 0.00 O ATOM 0 H GLY A 58 0.943 -8.741 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.470 -9.848 11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.838 -9.077 12.373 1.00 0.00 H new ATOM 899 N THR A 59 0.067 -6.651 11.552 1.00 0.00 N ATOM 900 CA THR A 59 -0.815 -5.601 12.028 1.00 0.00 C ATOM 901 C THR A 59 -2.234 -5.924 11.574 1.00 0.00 C ATOM 902 O THR A 59 -2.420 -6.395 10.450 1.00 0.00 O ATOM 903 CB THR A 59 -0.369 -4.240 11.488 1.00 0.00 C ATOM 904 OG1 THR A 59 1.007 -4.027 11.716 1.00 0.00 O ATOM 905 CG2 THR A 59 -1.141 -3.123 12.183 1.00 0.00 C ATOM 0 H THR A 59 0.619 -6.417 10.727 1.00 0.00 H new ATOM 0 HA THR A 59 -0.780 -5.550 13.116 1.00 0.00 H new ATOM 0 HB THR A 59 -0.565 -4.233 10.416 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.529 -4.664 11.185 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.817 -2.159 11.792 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.208 -3.249 11.999 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.951 -3.162 13.256 1.00 0.00 H new ATOM 913 N GLU A 60 -3.238 -5.681 12.419 1.00 0.00 N ATOM 914 CA GLU A 60 -4.614 -5.904 12.012 1.00 0.00 C ATOM 915 C GLU A 60 -5.041 -4.663 11.243 1.00 0.00 C ATOM 916 O GLU A 60 -5.707 -3.772 11.765 1.00 0.00 O ATOM 917 CB GLU A 60 -5.508 -6.158 13.222 1.00 0.00 C ATOM 918 CG GLU A 60 -4.860 -7.144 14.195 1.00 0.00 C ATOM 919 CD GLU A 60 -4.773 -8.540 13.600 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.649 -8.865 12.770 1.00 0.00 O ATOM 921 OE2 GLU A 60 -3.830 -9.262 13.990 1.00 0.00 O ATOM 0 H GLU A 60 -3.121 -5.336 13.372 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.703 -6.791 11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.707 -5.216 13.734 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.470 -6.550 12.890 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.861 -6.796 14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.437 -7.177 15.119 1.00 0.00 H new ATOM 928 N VAL A 61 -4.589 -4.573 10.001 1.00 0.00 N ATOM 929 CA VAL A 61 -4.827 -3.410 9.185 1.00 0.00 C ATOM 930 C VAL A 61 -6.076 -3.598 8.334 1.00 0.00 C ATOM 931 O VAL A 61 -6.271 -4.624 7.682 1.00 0.00 O ATOM 932 CB VAL A 61 -3.566 -3.074 8.390 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.342 -3.168 9.291 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.277 -4.100 7.315 1.00 0.00 C ATOM 0 H VAL A 61 -4.050 -5.305 9.539 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.035 -2.542 9.811 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.741 -2.082 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.448 -2.927 8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.443 -2.464 10.117 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.258 -4.181 9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.372 -3.818 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.137 -5.078 7.774 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.114 -4.143 6.619 1.00 0.00 H new ATOM 944 N THR A 62 -6.950 -2.603 8.376 1.00 0.00 N ATOM 945 CA THR A 62 -8.209 -2.620 7.668 1.00 0.00 C ATOM 946 C THR A 62 -7.985 -2.248 6.217 1.00 0.00 C ATOM 947 O THR A 62 -7.587 -1.120 5.928 1.00 0.00 O ATOM 948 CB THR A 62 -9.160 -1.622 8.327 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.880 -1.524 9.708 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.610 -2.057 8.142 1.00 0.00 C ATOM 0 H THR A 62 -6.796 -1.750 8.914 1.00 0.00 H new ATOM 0 HA THR A 62 -8.644 -3.618 7.708 1.00 0.00 H new ATOM 0 HB THR A 62 -9.015 -0.652 7.852 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.493 -0.881 10.121 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.271 -1.333 8.619 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.840 -2.113 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.757 -3.037 8.597 1.00 0.00 H new ATOM 958 N LEU A 63 -8.206 -3.181 5.299 1.00 0.00 N ATOM 959 CA LEU A 63 -8.075 -2.837 3.906 1.00 0.00 C ATOM 960 C LEU A 63 -9.381 -2.220 3.437 1.00 0.00 C ATOM 961 O LEU A 63 -10.440 -2.847 3.446 1.00 0.00 O ATOM 962 CB LEU A 63 -7.605 -4.018 3.071 1.00 0.00 C ATOM 963 CG LEU A 63 -7.023 -3.453 1.778 1.00 0.00 C ATOM 964 CD1 LEU A 63 -5.929 -4.385 1.267 1.00 0.00 C ATOM 965 CD2 LEU A 63 -8.125 -3.288 0.735 1.00 0.00 C ATOM 0 H LEU A 63 -8.468 -4.148 5.492 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.290 -2.092 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.855 -4.596 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.434 -4.692 2.857 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.589 -2.472 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.511 -3.984 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.141 -4.467 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.351 -5.371 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.699 -2.884 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.579 -4.257 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.885 -2.604 1.114 1.00 0.00 H new ATOM 977 N ILE A 64 -9.279 -0.942 3.107 1.00 0.00 N ATOM 978 CA ILE A 64 -10.336 -0.100 2.610 1.00 0.00 C ATOM 979 C ILE A 64 -10.363 -0.139 1.095 1.00 0.00 C ATOM 980 O ILE A 64 -9.353 -0.365 0.432 1.00 0.00 O ATOM 981 CB ILE A 64 -10.035 1.356 2.993 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.976 1.587 4.495 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.102 2.282 2.421 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.921 3.089 4.755 1.00 0.00 C ATOM 0 H ILE A 64 -8.394 -0.440 3.188 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.280 -0.449 3.029 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.051 1.573 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.850 1.151 4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.099 1.097 4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.877 3.312 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.115 2.195 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.077 2.003 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.878 3.271 5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.034 3.508 4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.812 3.563 4.342 1.00 0.00 H new ATOM 996 N ALA A 65 -11.526 0.180 0.559 1.00 0.00 N ATOM 997 CA ALA A 65 -11.723 0.463 -0.825 1.00 0.00 C ATOM 998 C ALA A 65 -12.863 1.445 -0.819 1.00 0.00 C ATOM 999 O ALA A 65 -13.962 1.153 -0.354 1.00 0.00 O ATOM 1000 CB ALA A 65 -12.017 -0.797 -1.615 1.00 0.00 C ATOM 0 H ALA A 65 -12.383 0.248 1.108 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.840 0.872 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.161 -0.543 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.180 -1.489 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.921 -1.267 -1.228 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.541 2.658 -1.226 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.500 3.720 -1.264 1.00 0.00 C ATOM 1008 C GLN A 66 -13.763 4.025 -2.723 1.00 0.00 C ATOM 1009 O GLN A 66 -13.433 5.096 -3.227 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.880 4.883 -0.493 1.00 0.00 C ATOM 1011 CG GLN A 66 -13.834 6.056 -0.405 1.00 0.00 C ATOM 1012 CD GLN A 66 -13.113 7.382 -0.584 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -13.373 8.099 -1.548 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.194 7.720 0.311 1.00 0.00 N ATOM 0 H GLN A 66 -11.607 2.924 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.460 3.485 -0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.611 4.554 0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.959 5.197 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.606 5.955 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.338 6.043 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.000 7.104 1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.681 8.596 0.210 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.314 3.050 -3.430 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.518 3.167 -4.853 1.00 0.00 C ATOM 1025 C GLY A 67 -15.722 2.389 -5.332 1.00 0.00 C ATOM 1026 O GLY A 67 -16.517 1.876 -4.546 1.00 0.00 O ATOM 0 H GLY A 67 -14.628 2.165 -3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.642 4.218 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.629 2.812 -5.374 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.791 2.281 -6.655 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.755 1.497 -7.395 1.00 0.00 C ATOM 1032 C GLU A 68 -16.781 0.080 -6.835 1.00 0.00 C ATOM 1033 O GLU A 68 -17.839 -0.524 -6.691 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.306 1.456 -8.856 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.031 2.858 -9.407 1.00 0.00 C ATOM 1036 CD GLU A 68 -17.177 3.820 -9.139 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -18.289 3.539 -9.635 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -16.914 4.815 -8.430 1.00 0.00 O ATOM 0 H GLU A 68 -15.136 2.768 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.750 1.934 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.405 0.849 -8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -17.075 0.973 -9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.119 3.250 -8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.856 2.796 -10.481 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.599 -0.449 -6.510 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.496 -1.757 -5.921 1.00 0.00 C ATOM 1047 C ASP A 69 -15.053 -1.541 -4.491 1.00 0.00 C ATOM 1048 O ASP A 69 -14.021 -2.076 -4.124 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.482 -2.615 -6.674 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.614 -2.504 -8.186 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -15.475 -3.221 -8.737 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.825 -1.720 -8.760 1.00 0.00 O ATOM 0 H ASP A 69 -14.705 0.022 -6.651 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.449 -2.285 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.475 -2.319 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.607 -3.657 -6.380 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.726 -0.684 -3.718 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.450 -0.465 -2.321 1.00 0.00 C ATOM 1059 C GLU A 70 -15.401 -1.818 -1.626 1.00 0.00 C ATOM 1060 O GLU A 70 -14.321 -2.361 -1.404 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.604 0.393 -1.811 1.00 0.00 C ATOM 1062 CG GLU A 70 -16.667 0.474 -0.290 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.084 0.779 0.153 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.976 0.024 -0.292 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.252 1.744 0.925 1.00 0.00 O ATOM 0 H GLU A 70 -16.496 -0.115 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.498 0.033 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.507 1.399 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.543 -0.013 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.335 -0.468 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.990 1.249 0.070 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.581 -2.370 -1.325 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.726 -3.649 -0.656 1.00 0.00 C ATOM 1074 C GLN A 71 -15.821 -4.705 -1.274 1.00 0.00 C ATOM 1075 O GLN A 71 -15.074 -5.356 -0.547 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.193 -4.081 -0.719 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.414 -5.498 -0.179 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.074 -5.624 1.299 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -16.801 -5.825 1.621 1.00 0.00 O flip ATOM 1080 NE2 GLN A 71 -18.951 -5.541 2.150 1.00 0.00 N flip ATOM 0 H GLN A 71 -17.472 -1.926 -1.547 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.423 -3.541 0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.799 -3.379 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.538 -4.032 -1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.455 -5.783 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -17.804 -6.199 -0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -19.920 -5.386 1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -18.713 -5.627 3.138 1.00 0.00 H new ATOM 1089 N GLU A 72 -15.886 -4.850 -2.599 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.156 -5.847 -3.350 1.00 0.00 C ATOM 1091 C GLU A 72 -13.668 -5.750 -3.049 1.00 0.00 C ATOM 1092 O GLU A 72 -13.041 -6.710 -2.599 1.00 0.00 O ATOM 1093 CB GLU A 72 -15.455 -5.561 -4.823 1.00 0.00 C ATOM 1094 CG GLU A 72 -14.529 -6.304 -5.779 1.00 0.00 C ATOM 1095 CD GLU A 72 -14.665 -7.818 -5.681 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -15.763 -8.270 -5.294 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -13.663 -8.491 -6.003 1.00 0.00 O ATOM 0 H GLU A 72 -16.468 -4.254 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.456 -6.861 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.487 -5.838 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.369 -4.489 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.743 -5.991 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.497 -6.023 -5.569 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.124 -4.564 -3.303 1.00 0.00 N ATOM 1105 CA ALA A 73 -11.723 -4.281 -3.149 1.00 0.00 C ATOM 1106 C ALA A 73 -11.273 -4.509 -1.720 1.00 0.00 C ATOM 1107 O ALA A 73 -10.392 -5.325 -1.457 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.571 -2.823 -3.535 1.00 0.00 C ATOM 0 H ALA A 73 -13.666 -3.764 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.108 -4.935 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.525 -2.529 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.898 -2.683 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.180 -2.206 -2.874 1.00 0.00 H new ATOM 1114 N LEU A 74 -11.898 -3.781 -0.799 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.551 -3.815 0.606 1.00 0.00 C ATOM 1116 C LEU A 74 -11.506 -5.244 1.143 1.00 0.00 C ATOM 1117 O LEU A 74 -10.507 -5.649 1.740 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.534 -2.910 1.346 1.00 0.00 C ATOM 1119 CG LEU A 74 -13.969 -3.405 1.225 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.341 -4.371 2.337 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.920 -2.224 1.260 1.00 0.00 C ATOM 0 H LEU A 74 -12.667 -3.147 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.541 -3.437 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.256 -2.858 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.465 -1.898 0.948 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.049 -3.937 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.373 -4.695 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.681 -5.238 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.236 -3.874 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.946 -2.581 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.800 -1.688 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.698 -1.553 0.430 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.558 -6.027 0.883 1.00 0.00 N ATOM 1134 CA GLU A 75 -12.649 -7.364 1.429 1.00 0.00 C ATOM 1135 C GLU A 75 -11.606 -8.300 0.836 1.00 0.00 C ATOM 1136 O GLU A 75 -10.893 -8.958 1.591 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.069 -7.913 1.277 1.00 0.00 C ATOM 1138 CG GLU A 75 -14.479 -7.968 -0.192 1.00 0.00 C ATOM 1139 CD GLU A 75 -15.875 -8.540 -0.369 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -16.095 -9.665 0.131 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.699 -7.836 -0.991 1.00 0.00 O ATOM 0 H GLU A 75 -13.348 -5.751 0.300 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.428 -7.303 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.126 -8.911 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.767 -7.284 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.441 -6.965 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.764 -8.577 -0.746 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.485 -8.370 -0.493 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.547 -9.331 -1.043 1.00 0.00 C ATOM 1150 C LYS A 76 -9.109 -8.917 -0.782 1.00 0.00 C ATOM 1151 O LYS A 76 -8.261 -9.764 -0.522 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.798 -9.587 -2.521 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.848 -8.319 -3.361 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.959 -8.744 -4.822 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.595 -9.053 -5.450 1.00 0.00 C ATOM 1156 NZ LYS A 76 -8.915 -10.176 -4.783 1.00 0.00 N ATOM 0 H LYS A 76 -11.997 -7.804 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.714 -10.275 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.013 -10.237 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.740 -10.124 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.700 -7.702 -3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.952 -7.718 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.596 -9.626 -4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.446 -7.952 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.728 -9.287 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.964 -8.166 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.225 -10.601 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.423 -9.829 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.617 -10.892 -4.507 1.00 0.00 H new ATOM 1170 N LEU A 77 -8.828 -7.620 -0.846 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.492 -7.129 -0.586 1.00 0.00 C ATOM 1172 C LEU A 77 -7.097 -7.380 0.865 1.00 0.00 C ATOM 1173 O LEU A 77 -6.018 -7.916 1.106 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.387 -5.663 -0.984 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.216 -5.540 -2.498 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -6.177 -6.534 -2.961 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -8.437 -5.992 -3.271 1.00 0.00 C ATOM 0 H LEU A 77 -9.510 -6.897 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.778 -7.679 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.282 -5.127 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.541 -5.200 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.983 -4.490 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.050 -6.452 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.228 -6.325 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.502 -7.544 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.253 -5.880 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.643 -7.038 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.295 -5.383 -2.985 1.00 0.00 H new ATOM 1189 N ALA A 78 -7.946 -7.023 1.838 1.00 0.00 N ATOM 1190 CA ALA A 78 -7.624 -7.328 3.227 1.00 0.00 C ATOM 1191 C ALA A 78 -7.494 -8.836 3.396 1.00 0.00 C ATOM 1192 O ALA A 78 -6.564 -9.313 4.044 1.00 0.00 O ATOM 1193 CB ALA A 78 -8.698 -6.804 4.174 1.00 0.00 C ATOM 0 H ALA A 78 -8.832 -6.539 1.692 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.682 -6.838 3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.428 -7.048 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.781 -5.722 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.655 -7.267 3.931 1.00 0.00 H new ATOM 1199 N ALA A 79 -8.420 -9.583 2.787 1.00 0.00 N ATOM 1200 CA ALA A 79 -8.421 -11.036 2.814 1.00 0.00 C ATOM 1201 C ALA A 79 -7.035 -11.539 2.450 1.00 0.00 C ATOM 1202 O ALA A 79 -6.382 -12.242 3.221 1.00 0.00 O ATOM 1203 CB ALA A 79 -9.416 -11.545 1.776 1.00 0.00 C ATOM 0 H ALA A 79 -9.195 -9.185 2.258 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.697 -11.390 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.427 -12.635 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.412 -11.170 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.122 -11.194 0.787 1.00 0.00 H new ATOM 1209 N TYR A 80 -6.586 -11.095 1.278 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.317 -11.414 0.672 1.00 0.00 C ATOM 1211 C TYR A 80 -4.147 -11.322 1.646 1.00 0.00 C ATOM 1212 O TYR A 80 -3.271 -12.186 1.638 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.156 -10.425 -0.474 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.226 -10.867 -1.578 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -3.531 -12.086 -1.483 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -4.038 -10.037 -2.694 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.616 -12.455 -2.483 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -3.117 -10.403 -3.690 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.402 -11.606 -3.581 1.00 0.00 C ATOM 1220 OH TYR A 80 -1.500 -11.947 -4.543 1.00 0.00 O ATOM 0 H TYR A 80 -7.141 -10.465 0.699 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.309 -12.449 0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.138 -10.229 -0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.791 -9.481 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.701 -12.739 -0.640 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.600 -9.119 -2.787 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.079 -13.389 -2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.959 -9.757 -4.541 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.449 -12.923 -4.612 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.155 -10.308 2.512 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.051 -10.045 3.414 1.00 0.00 C ATOM 1232 C VAL A 81 -2.889 -11.162 4.429 1.00 0.00 C ATOM 1233 O VAL A 81 -1.775 -11.494 4.832 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.261 -8.704 4.134 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.086 -7.731 3.294 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -4.000 -8.923 5.451 1.00 0.00 C ATOM 0 H VAL A 81 -4.930 -9.651 2.602 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.138 -9.994 2.820 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.271 -8.281 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.211 -6.795 3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.572 -7.536 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.064 -8.166 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.143 -7.965 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.971 -9.377 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.415 -9.583 6.091 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.007 -11.721 4.871 1.00 0.00 N ATOM 1247 CA GLN A 82 -3.974 -12.657 5.954 1.00 0.00 C ATOM 1248 C GLN A 82 -4.449 -14.048 5.548 1.00 0.00 C ATOM 1249 O GLN A 82 -4.580 -14.927 6.395 1.00 0.00 O ATOM 1250 CB GLN A 82 -4.919 -12.089 6.988 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.354 -12.108 6.512 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.243 -11.613 7.635 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -6.801 -11.346 8.750 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.510 -11.453 7.309 1.00 0.00 N ATOM 0 H GLN A 82 -4.935 -11.536 4.491 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.953 -12.782 6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.835 -12.663 7.911 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.628 -11.065 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.469 -11.475 5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.642 -13.118 6.219 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.829 -11.689 6.369 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.172 -11.093 7.996 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.709 -14.266 4.262 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.358 -15.485 3.829 1.00 0.00 C ATOM 1265 C GLU A 83 -4.419 -16.624 3.437 1.00 0.00 C ATOM 1266 O GLU A 83 -4.765 -17.785 3.635 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.336 -15.100 2.725 1.00 0.00 C ATOM 1268 CG GLU A 83 -5.605 -14.696 1.443 1.00 0.00 C ATOM 1269 CD GLU A 83 -6.575 -14.255 0.355 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -7.782 -14.143 0.665 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -6.081 -14.016 -0.767 1.00 0.00 O ATOM 0 H GLU A 83 -4.479 -13.615 3.511 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.884 -15.920 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.000 -15.939 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.962 -14.274 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.910 -13.885 1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.012 -15.536 1.082 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.251 -16.327 2.864 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.352 -17.391 2.447 1.00 0.00 C ATOM 1280 C GLU A 84 -1.135 -17.426 3.370 1.00 0.00 C ATOM 1281 O GLU A 84 -1.222 -17.857 4.515 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.027 -17.199 0.959 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.621 -15.754 0.652 1.00 0.00 C ATOM 1284 CD GLU A 84 -1.450 -15.523 -0.840 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -2.488 -15.451 -1.528 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -0.278 -15.411 -1.262 1.00 0.00 O ATOM 0 H GLU A 84 -2.916 -15.381 2.684 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.812 -18.375 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.220 -17.873 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.896 -17.469 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.378 -15.073 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.688 -15.521 1.166 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.009 -16.957 2.852 1.00 0.00 N ATOM 1294 CA VAL A 85 1.268 -16.712 3.498 1.00 0.00 C ATOM 1295 C VAL A 85 1.952 -15.835 2.465 1.00 0.00 C ATOM 1296 O VAL A 85 1.870 -16.157 1.239 1.00 0.00 O ATOM 1297 CB VAL A 85 2.096 -18.034 3.749 1.00 0.00 C ATOM 1298 CG1 VAL A 85 1.642 -18.915 4.946 1.00 0.00 C ATOM 1299 CG2 VAL A 85 2.139 -18.990 2.532 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.594 -14.798 2.820 1.00 0.00 O ATOM 0 H VAL A 85 0.034 -16.713 1.862 1.00 0.00 H new ATOM 0 HA VAL A 85 1.170 -16.273 4.491 1.00 0.00 H new ATOM 0 HB VAL A 85 3.073 -17.603 3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.285 -19.792 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.711 -18.339 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.611 -19.233 4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.726 -19.873 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.125 -19.291 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.597 -18.480 1.685 1.00 0.00 H new TER 1310 VAL A 85