USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 852 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 72 LYS NZ :NH3+ -172:sc= -7.02! (180deg=-8.53!) USER MOD Set 1.2: A 79 GLN : amide:sc= -3.84! C(o=-17!,f=-33!) USER MOD Set 1.3: A 93 GLN : amide:sc= -6.27! C(o=-17!,f=-29!) USER MOD Set 1.4: A 96 GLN :FLIP amide:sc= 0.486 F(o=-25!,f=-17) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.574 K(o=-0.57,f=-2.1) USER MOD Single : A 21 THR OG1 : rot -56:sc= 0.332! USER MOD Single : A 25 SER OG : rot -131:sc= -0.632 USER MOD Single : A 26 GLN : amide:sc= -0.487 K(o=-0.49,f=-1.2) USER MOD Single : A 27 HIS : no HD1:sc=-0.00515 X(o=-0.0052,f=-0.15) USER MOD Single : A 30 GLN : amide:sc= -0.712 K(o=-0.71,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -6.01! C(o=-6.6!,f=-6!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0486 F(o=-2!,f=-0.049) USER MOD Single : A 55 GLN : amide:sc= -14.6! C(o=-15!,f=-15!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.375 USER MOD Single : A 82 SER OG : rot 68:sc= -5.23! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 89 GLN :FLIP amide:sc= -2.45! C(o=-3.6!,f=-2.4!) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.335 F(o=-2.1!,f=-0.34) USER MOD Single : A 100 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.41) USER MOD Single : A 101 GLN : amide:sc= -0.0992 K(o=-0.099,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.885 -4.299 38.728 1.00 0.00 N ATOM 2 CA GLY A 1 -19.238 -2.956 38.751 1.00 0.00 C ATOM 3 C GLY A 1 -17.765 -3.096 38.385 1.00 0.00 C ATOM 4 O GLY A 1 -17.427 -3.472 37.263 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.890 -4.204 38.978 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.802 -4.708 37.775 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.415 -4.923 39.415 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.737 -2.288 38.048 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.337 -2.509 39.740 1.00 0.00 H new ATOM 10 N SER A 2 -16.893 -2.793 39.342 1.00 0.00 N ATOM 11 CA SER A 2 -15.456 -2.887 39.112 1.00 0.00 C ATOM 12 C SER A 2 -15.100 -2.382 37.718 1.00 0.00 C ATOM 13 O SER A 2 -13.992 -2.608 37.229 1.00 0.00 O ATOM 14 CB SER A 2 -14.998 -4.340 39.260 1.00 0.00 C ATOM 15 OG SER A 2 -15.878 -5.022 40.145 1.00 0.00 O ATOM 0 H SER A 2 -17.154 -2.482 40.278 1.00 0.00 H new ATOM 0 HA SER A 2 -14.949 -2.267 39.851 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.989 -4.832 38.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.978 -4.375 39.644 1.00 0.00 H new ATOM 0 HG SER A 2 -15.589 -5.953 40.241 1.00 0.00 H new ATOM 21 N SER A 3 -16.043 -1.696 37.084 1.00 0.00 N ATOM 22 CA SER A 3 -15.818 -1.163 35.746 1.00 0.00 C ATOM 23 C SER A 3 -14.873 -2.064 34.960 1.00 0.00 C ATOM 24 O SER A 3 -14.140 -1.598 34.089 1.00 0.00 O ATOM 25 CB SER A 3 -15.221 0.241 35.839 1.00 0.00 C ATOM 26 OG SER A 3 -13.864 0.145 36.257 1.00 0.00 O ATOM 0 H SER A 3 -16.965 -1.496 37.472 1.00 0.00 H new ATOM 0 HA SER A 3 -16.776 -1.120 35.228 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.282 0.740 34.872 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.790 0.845 36.546 1.00 0.00 H new ATOM 0 HG SER A 3 -13.476 1.043 36.317 1.00 0.00 H new ATOM 32 N LEU A 4 -14.890 -3.355 35.276 1.00 0.00 N ATOM 33 CA LEU A 4 -14.021 -4.304 34.589 1.00 0.00 C ATOM 34 C LEU A 4 -14.724 -4.897 33.371 1.00 0.00 C ATOM 35 O LEU A 4 -15.724 -5.604 33.499 1.00 0.00 O ATOM 36 CB LEU A 4 -13.624 -5.425 35.554 1.00 0.00 C ATOM 37 CG LEU A 4 -12.651 -6.379 34.862 1.00 0.00 C ATOM 38 CD1 LEU A 4 -11.288 -5.700 34.703 1.00 0.00 C ATOM 39 CD2 LEU A 4 -12.496 -7.643 35.712 1.00 0.00 C ATOM 0 H LEU A 4 -15.488 -3.764 35.994 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.129 -3.778 34.250 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.162 -5.003 36.447 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.511 -5.968 35.880 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.037 -6.643 33.877 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.597 -6.383 34.209 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.399 -4.798 34.101 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.897 -5.435 35.685 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.803 -8.327 35.223 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.109 -7.375 36.695 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.466 -8.127 35.824 1.00 0.00 H new ATOM 51 N SER A 5 -14.189 -4.604 32.189 1.00 0.00 N ATOM 52 CA SER A 5 -14.765 -5.110 30.948 1.00 0.00 C ATOM 53 C SER A 5 -13.809 -4.862 29.782 1.00 0.00 C ATOM 54 O SER A 5 -14.100 -4.064 28.892 1.00 0.00 O ATOM 55 CB SER A 5 -16.103 -4.422 30.676 1.00 0.00 C ATOM 56 OG SER A 5 -16.880 -5.235 29.807 1.00 0.00 O ATOM 0 H SER A 5 -13.361 -4.021 32.065 1.00 0.00 H new ATOM 0 HA SER A 5 -14.928 -6.183 31.049 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.637 -4.256 31.612 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.937 -3.443 30.226 1.00 0.00 H new ATOM 0 HG SER A 5 -17.739 -4.798 29.631 1.00 0.00 H new ATOM 62 N PRO A 6 -12.679 -5.519 29.778 1.00 0.00 N ATOM 63 CA PRO A 6 -11.666 -5.348 28.701 1.00 0.00 C ATOM 64 C PRO A 6 -12.265 -5.574 27.315 1.00 0.00 C ATOM 65 O PRO A 6 -13.056 -6.496 27.114 1.00 0.00 O ATOM 66 CB PRO A 6 -10.581 -6.390 29.001 1.00 0.00 C ATOM 67 CG PRO A 6 -10.992 -7.133 30.237 1.00 0.00 C ATOM 68 CD PRO A 6 -12.262 -6.488 30.797 1.00 0.00 C ATOM 0 HA PRO A 6 -11.272 -4.332 28.689 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.468 -7.077 28.162 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.616 -5.906 29.149 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.172 -8.183 30.005 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.194 -7.103 30.979 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.038 -7.233 30.974 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.068 -5.998 31.751 1.00 0.00 H new ATOM 76 N GLN A 7 -11.890 -4.720 26.366 1.00 0.00 N ATOM 77 CA GLN A 7 -12.405 -4.834 25.005 1.00 0.00 C ATOM 78 C GLN A 7 -11.452 -5.645 24.130 1.00 0.00 C ATOM 79 O GLN A 7 -11.729 -6.801 23.816 1.00 0.00 O ATOM 80 CB GLN A 7 -12.588 -3.435 24.410 1.00 0.00 C ATOM 81 CG GLN A 7 -13.402 -3.526 23.118 1.00 0.00 C ATOM 82 CD GLN A 7 -13.502 -2.149 22.469 1.00 0.00 C ATOM 83 OE1 GLN A 7 -12.554 -1.694 21.830 1.00 0.00 O ATOM 84 NE2 GLN A 7 -14.598 -1.452 22.602 1.00 0.00 N ATOM 0 H GLN A 7 -11.238 -3.949 26.512 1.00 0.00 H new ATOM 0 HA GLN A 7 -13.365 -5.350 25.038 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -13.095 -2.788 25.126 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.616 -2.985 24.208 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.931 -4.228 22.430 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.399 -3.910 23.333 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.382 -1.831 23.132 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.670 -0.528 22.176 1.00 0.00 H new ATOM 93 N ALA A 8 -10.334 -5.017 23.751 1.00 0.00 N ATOM 94 CA ALA A 8 -9.312 -5.651 22.907 1.00 0.00 C ATOM 95 C ALA A 8 -8.991 -4.753 21.718 1.00 0.00 C ATOM 96 O ALA A 8 -9.738 -4.713 20.740 1.00 0.00 O ATOM 97 CB ALA A 8 -9.774 -7.018 22.391 1.00 0.00 C ATOM 0 H ALA A 8 -10.111 -4.058 24.019 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.423 -5.796 23.520 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.992 -7.456 21.771 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.978 -7.676 23.236 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.681 -6.896 21.799 1.00 0.00 H new ATOM 103 N LEU A 9 -7.883 -4.026 21.812 1.00 0.00 N ATOM 104 CA LEU A 9 -7.483 -3.122 20.739 1.00 0.00 C ATOM 105 C LEU A 9 -6.672 -3.855 19.676 1.00 0.00 C ATOM 106 O LEU A 9 -5.614 -4.415 19.963 1.00 0.00 O ATOM 107 CB LEU A 9 -6.646 -1.980 21.314 1.00 0.00 C ATOM 108 CG LEU A 9 -5.609 -2.548 22.286 1.00 0.00 C ATOM 109 CD1 LEU A 9 -4.222 -2.014 21.922 1.00 0.00 C ATOM 110 CD2 LEU A 9 -5.961 -2.124 23.715 1.00 0.00 C ATOM 0 H LEU A 9 -7.251 -4.044 22.612 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.386 -2.726 20.274 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.148 -1.439 20.509 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.290 -1.266 21.828 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.608 -3.636 22.220 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.483 -2.418 22.614 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.971 -2.317 20.905 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.223 -0.926 21.987 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.222 -2.529 24.407 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.963 -1.036 23.782 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.949 -2.505 23.975 1.00 0.00 H new ATOM 122 N ALA A 10 -7.171 -3.835 18.445 1.00 0.00 N ATOM 123 CA ALA A 10 -6.479 -4.486 17.340 1.00 0.00 C ATOM 124 C ALA A 10 -5.197 -3.733 17.006 1.00 0.00 C ATOM 125 O ALA A 10 -5.060 -2.551 17.324 1.00 0.00 O ATOM 126 CB ALA A 10 -7.378 -4.537 16.105 1.00 0.00 C ATOM 0 H ALA A 10 -8.046 -3.378 18.189 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.230 -5.504 17.642 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.847 -5.026 15.288 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.283 -5.098 16.337 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.646 -3.523 15.808 1.00 0.00 H new ATOM 132 N GLN A 11 -4.257 -4.419 16.368 1.00 0.00 N ATOM 133 CA GLN A 11 -2.991 -3.795 16.003 1.00 0.00 C ATOM 134 C GLN A 11 -3.108 -3.080 14.655 1.00 0.00 C ATOM 135 O GLN A 11 -3.672 -3.626 13.707 1.00 0.00 O ATOM 136 CB GLN A 11 -1.897 -4.856 15.913 1.00 0.00 C ATOM 137 CG GLN A 11 -1.636 -5.433 17.303 1.00 0.00 C ATOM 138 CD GLN A 11 -0.649 -6.590 17.208 1.00 0.00 C ATOM 139 OE1 GLN A 11 0.214 -6.618 16.231 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 -0.665 -7.491 18.046 1.00 0.00 N flip ATOM 0 H GLN A 11 -4.345 -5.398 16.095 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.737 -3.064 16.771 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.199 -5.649 15.229 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.983 -4.419 15.511 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.239 -4.658 17.959 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.571 -5.777 17.745 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.341 -7.466 18.809 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.002 -8.263 17.978 1.00 0.00 H new ATOM 149 N PRO A 12 -2.584 -1.883 14.550 1.00 0.00 N ATOM 150 CA PRO A 12 -2.636 -1.106 13.282 1.00 0.00 C ATOM 151 C PRO A 12 -2.047 -1.899 12.120 1.00 0.00 C ATOM 152 O PRO A 12 -1.269 -2.832 12.327 1.00 0.00 O ATOM 153 CB PRO A 12 -1.802 0.154 13.545 1.00 0.00 C ATOM 154 CG PRO A 12 -1.286 0.072 14.949 1.00 0.00 C ATOM 155 CD PRO A 12 -1.901 -1.153 15.625 1.00 0.00 C ATOM 0 HA PRO A 12 -3.663 -0.871 13.003 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.976 0.221 12.837 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.409 1.049 13.412 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.199 -0.003 14.948 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.543 0.977 15.500 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.135 -1.770 16.095 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.600 -0.861 16.409 1.00 0.00 H new ATOM 163 N LEU A 13 -2.415 -1.527 10.900 1.00 0.00 N ATOM 164 CA LEU A 13 -1.906 -2.217 9.725 1.00 0.00 C ATOM 165 C LEU A 13 -0.546 -1.658 9.349 1.00 0.00 C ATOM 166 O LEU A 13 -0.384 -0.446 9.203 1.00 0.00 O ATOM 167 CB LEU A 13 -2.875 -2.049 8.554 1.00 0.00 C ATOM 168 CG LEU A 13 -2.541 -3.057 7.451 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.631 -3.014 6.384 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.198 -2.703 6.813 1.00 0.00 C ATOM 0 H LEU A 13 -3.057 -0.760 10.701 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.809 -3.278 9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.900 -2.196 8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.812 -1.034 8.162 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.482 -4.056 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.397 -3.730 5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.591 -3.269 6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.685 -2.012 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.966 -3.424 6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.252 -1.703 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.416 -2.729 7.572 1.00 0.00 H new ATOM 182 N LEU A 14 0.430 -2.541 9.188 1.00 0.00 N ATOM 183 CA LEU A 14 1.761 -2.110 8.826 1.00 0.00 C ATOM 184 C LEU A 14 1.944 -2.203 7.322 1.00 0.00 C ATOM 185 O LEU A 14 1.929 -3.288 6.739 1.00 0.00 O ATOM 186 CB LEU A 14 2.781 -2.975 9.557 1.00 0.00 C ATOM 187 CG LEU A 14 2.518 -2.893 11.063 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.682 -3.529 11.826 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.367 -1.425 11.475 1.00 0.00 C ATOM 0 H LEU A 14 0.321 -3.549 9.302 1.00 0.00 H new ATOM 0 HA LEU A 14 1.908 -1.070 9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.709 -4.009 9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.792 -2.635 9.333 1.00 0.00 H new ATOM 0 HG LEU A 14 1.600 -3.431 11.301 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.491 -3.469 12.897 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.781 -4.574 11.533 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.604 -2.998 11.591 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.180 -1.365 12.547 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.283 -0.884 11.236 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.531 -0.980 10.935 1.00 0.00 H new ATOM 201 N LEU A 15 2.092 -1.041 6.704 1.00 0.00 N ATOM 202 CA LEU A 15 2.252 -0.955 5.263 1.00 0.00 C ATOM 203 C LEU A 15 3.560 -0.248 4.926 1.00 0.00 C ATOM 204 O LEU A 15 3.868 0.801 5.494 1.00 0.00 O ATOM 205 CB LEU A 15 1.056 -0.175 4.694 1.00 0.00 C ATOM 206 CG LEU A 15 0.930 -0.388 3.184 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.153 0.194 2.479 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.813 -1.885 2.883 1.00 0.00 C ATOM 0 H LEU A 15 2.104 -0.140 7.183 1.00 0.00 H new ATOM 0 HA LEU A 15 2.285 -1.952 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.139 -0.497 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.176 0.887 4.906 1.00 0.00 H new ATOM 0 HG LEU A 15 0.036 0.118 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.060 0.041 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.220 1.261 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.053 -0.304 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.723 -2.034 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.702 -2.400 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.070 -2.288 3.380 1.00 0.00 H new ATOM 220 N GLN A 16 4.330 -0.817 4.001 1.00 0.00 N ATOM 221 CA GLN A 16 5.595 -0.206 3.616 1.00 0.00 C ATOM 222 C GLN A 16 5.690 -0.027 2.109 1.00 0.00 C ATOM 223 O GLN A 16 5.095 -0.782 1.340 1.00 0.00 O ATOM 224 CB GLN A 16 6.770 -1.047 4.108 1.00 0.00 C ATOM 225 CG GLN A 16 7.011 -0.756 5.587 1.00 0.00 C ATOM 226 CD GLN A 16 8.106 -1.669 6.131 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.366 -2.732 5.568 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.767 -1.313 7.198 1.00 0.00 N ATOM 0 H GLN A 16 4.104 -1.684 3.513 1.00 0.00 H new ATOM 0 HA GLN A 16 5.637 0.778 4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.560 -2.107 3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.665 -0.817 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.299 0.287 5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.090 -0.906 6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.549 -0.431 7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.502 -1.916 7.568 1.00 0.00 H new ATOM 237 N LEU A 17 6.448 0.982 1.702 1.00 0.00 N ATOM 238 CA LEU A 17 6.631 1.274 0.290 1.00 0.00 C ATOM 239 C LEU A 17 8.109 1.481 -0.020 1.00 0.00 C ATOM 240 O LEU A 17 8.781 2.287 0.624 1.00 0.00 O ATOM 241 CB LEU A 17 5.835 2.528 -0.085 1.00 0.00 C ATOM 242 CG LEU A 17 6.017 2.849 -1.572 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.159 1.908 -2.424 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.584 4.293 -1.830 1.00 0.00 C ATOM 0 H LEU A 17 6.946 1.612 2.331 1.00 0.00 H new ATOM 0 HA LEU A 17 6.268 0.430 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.778 2.375 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.167 3.372 0.519 1.00 0.00 H new ATOM 0 HG LEU A 17 7.065 2.718 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.296 2.145 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.460 0.876 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.109 2.032 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.711 4.528 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.536 4.413 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.196 4.969 -1.232 1.00 0.00 H new ATOM 256 N PHE A 18 8.610 0.756 -1.015 1.00 0.00 N ATOM 257 CA PHE A 18 10.009 0.880 -1.401 1.00 0.00 C ATOM 258 C PHE A 18 10.139 1.864 -2.549 1.00 0.00 C ATOM 259 O PHE A 18 9.555 1.672 -3.615 1.00 0.00 O ATOM 260 CB PHE A 18 10.561 -0.482 -1.823 1.00 0.00 C ATOM 261 CG PHE A 18 10.829 -1.313 -0.594 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.760 -1.789 0.172 1.00 0.00 C ATOM 263 CD2 PHE A 18 12.147 -1.606 -0.221 1.00 0.00 C ATOM 264 CE1 PHE A 18 10.009 -2.555 1.315 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.397 -2.375 0.921 1.00 0.00 C ATOM 266 CZ PHE A 18 11.325 -2.849 1.689 1.00 0.00 C ATOM 0 H PHE A 18 8.074 0.083 -1.563 1.00 0.00 H new ATOM 0 HA PHE A 18 10.581 1.244 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.848 -0.991 -2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.479 -0.353 -2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.744 -1.565 -0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.971 -1.238 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.185 -2.920 1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.413 -2.602 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.515 -3.442 2.571 1.00 0.00 H new ATOM 276 N VAL A 19 10.889 2.932 -2.317 1.00 0.00 N ATOM 277 CA VAL A 19 11.062 3.951 -3.341 1.00 0.00 C ATOM 278 C VAL A 19 12.521 4.371 -3.480 1.00 0.00 C ATOM 279 O VAL A 19 13.310 4.254 -2.541 1.00 0.00 O ATOM 280 CB VAL A 19 10.214 5.168 -2.980 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.799 4.709 -2.623 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.836 5.879 -1.777 1.00 0.00 C ATOM 0 H VAL A 19 11.381 3.114 -1.442 1.00 0.00 H new ATOM 0 HA VAL A 19 10.744 3.532 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 19 10.174 5.852 -3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.190 5.575 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.357 4.196 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.841 4.028 -1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.233 6.749 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.872 5.195 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.847 6.200 -2.027 1.00 0.00 H new ATOM 292 N ASP A 20 12.860 4.881 -4.660 1.00 0.00 N ATOM 293 CA ASP A 20 14.213 5.349 -4.935 1.00 0.00 C ATOM 294 C ASP A 20 14.272 6.867 -4.783 1.00 0.00 C ATOM 295 O ASP A 20 15.212 7.514 -5.246 1.00 0.00 O ATOM 296 CB ASP A 20 14.627 4.954 -6.353 1.00 0.00 C ATOM 297 CG ASP A 20 13.764 5.692 -7.368 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.115 6.648 -6.977 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.762 5.291 -8.521 1.00 0.00 O ATOM 0 H ASP A 20 12.214 4.981 -5.443 1.00 0.00 H new ATOM 0 HA ASP A 20 14.900 4.888 -4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.678 5.193 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.520 3.877 -6.486 1.00 0.00 H new ATOM 304 N THR A 21 13.251 7.419 -4.130 1.00 0.00 N ATOM 305 CA THR A 21 13.159 8.860 -3.906 1.00 0.00 C ATOM 306 C THR A 21 12.715 9.595 -5.171 1.00 0.00 C ATOM 307 O THR A 21 12.718 10.826 -5.211 1.00 0.00 O ATOM 308 CB THR A 21 14.511 9.416 -3.448 1.00 0.00 C ATOM 309 OG1 THR A 21 15.355 9.602 -4.576 1.00 0.00 O ATOM 310 CG2 THR A 21 15.167 8.436 -2.474 1.00 0.00 C ATOM 0 H THR A 21 12.471 6.886 -3.745 1.00 0.00 H new ATOM 0 HA THR A 21 12.412 9.022 -3.129 1.00 0.00 H new ATOM 0 HB THR A 21 14.357 10.372 -2.948 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.446 8.755 -5.060 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.129 8.834 -2.150 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.521 8.297 -1.607 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.320 7.477 -2.970 1.00 0.00 H new ATOM 318 N ARG A 22 12.320 8.845 -6.200 1.00 0.00 N ATOM 319 CA ARG A 22 11.865 9.463 -7.443 1.00 0.00 C ATOM 320 C ARG A 22 10.469 10.058 -7.258 1.00 0.00 C ATOM 321 O ARG A 22 9.644 9.508 -6.529 1.00 0.00 O ATOM 322 CB ARG A 22 11.850 8.438 -8.580 1.00 0.00 C ATOM 323 CG ARG A 22 10.830 7.336 -8.275 1.00 0.00 C ATOM 324 CD ARG A 22 11.112 6.109 -9.151 1.00 0.00 C ATOM 325 NE ARG A 22 10.028 5.908 -10.107 1.00 0.00 N ATOM 326 CZ ARG A 22 10.272 5.475 -11.341 1.00 0.00 C ATOM 327 NH1 ARG A 22 10.354 4.194 -11.580 1.00 0.00 N ATOM 328 NH2 ARG A 22 10.426 6.331 -12.314 1.00 0.00 N ATOM 0 H ARG A 22 12.306 7.825 -6.198 1.00 0.00 H new ATOM 0 HA ARG A 22 12.559 10.262 -7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.598 8.929 -9.520 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.842 8.004 -8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.882 7.062 -7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.820 7.702 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.054 6.242 -9.682 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.222 5.224 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 22 9.067 6.103 -9.824 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.231 3.525 -10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.541 3.863 -12.526 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.359 7.332 -12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.613 5.999 -13.260 1.00 0.00 H new ATOM 342 N PRO A 23 10.199 11.174 -7.888 1.00 0.00 N ATOM 343 CA PRO A 23 8.883 11.862 -7.778 1.00 0.00 C ATOM 344 C PRO A 23 7.712 10.917 -8.031 1.00 0.00 C ATOM 345 O PRO A 23 6.676 11.017 -7.375 1.00 0.00 O ATOM 346 CB PRO A 23 8.914 12.958 -8.852 1.00 0.00 C ATOM 347 CG PRO A 23 10.231 12.856 -9.556 1.00 0.00 C ATOM 348 CD PRO A 23 11.122 11.896 -8.766 1.00 0.00 C ATOM 0 HA PRO A 23 8.737 12.255 -6.772 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.091 12.830 -9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.796 13.943 -8.400 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.091 12.493 -10.574 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.700 13.837 -9.629 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.655 11.214 -9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.875 12.436 -8.192 1.00 0.00 H new ATOM 356 N LEU A 24 7.879 10.002 -8.982 1.00 0.00 N ATOM 357 CA LEU A 24 6.816 9.054 -9.300 1.00 0.00 C ATOM 358 C LEU A 24 6.384 8.313 -8.041 1.00 0.00 C ATOM 359 O LEU A 24 5.191 8.135 -7.792 1.00 0.00 O ATOM 360 CB LEU A 24 7.305 8.048 -10.341 1.00 0.00 C ATOM 361 CG LEU A 24 6.161 7.099 -10.707 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.180 7.813 -11.639 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.735 5.872 -11.412 1.00 0.00 C ATOM 0 H LEU A 24 8.727 9.897 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 24 5.966 9.604 -9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.658 8.570 -11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.150 7.482 -9.948 1.00 0.00 H new ATOM 0 HG LEU A 24 5.637 6.791 -9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.366 7.136 -11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.775 8.692 -11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.699 8.121 -12.547 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.925 5.192 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.256 6.183 -12.317 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.434 5.364 -10.747 1.00 0.00 H new ATOM 375 N SER A 25 7.361 7.895 -7.241 1.00 0.00 N ATOM 376 CA SER A 25 7.060 7.191 -6.004 1.00 0.00 C ATOM 377 C SER A 25 6.283 8.110 -5.077 1.00 0.00 C ATOM 378 O SER A 25 5.264 7.717 -4.509 1.00 0.00 O ATOM 379 CB SER A 25 8.351 6.744 -5.324 1.00 0.00 C ATOM 380 OG SER A 25 9.107 5.946 -6.226 1.00 0.00 O ATOM 0 H SER A 25 8.355 8.030 -7.426 1.00 0.00 H new ATOM 0 HA SER A 25 6.461 6.310 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.932 7.613 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.122 6.176 -4.422 1.00 0.00 H new ATOM 0 HG SER A 25 9.391 5.123 -5.776 1.00 0.00 H new ATOM 386 N GLN A 26 6.746 9.351 -4.959 1.00 0.00 N ATOM 387 CA GLN A 26 6.053 10.327 -4.132 1.00 0.00 C ATOM 388 C GLN A 26 4.677 10.558 -4.732 1.00 0.00 C ATOM 389 O GLN A 26 3.690 10.762 -4.025 1.00 0.00 O ATOM 390 CB GLN A 26 6.835 11.641 -4.089 1.00 0.00 C ATOM 391 CG GLN A 26 8.180 11.412 -3.396 1.00 0.00 C ATOM 392 CD GLN A 26 7.957 10.844 -1.998 1.00 0.00 C ATOM 393 OE1 GLN A 26 7.019 11.243 -1.308 1.00 0.00 O ATOM 394 NE2 GLN A 26 8.771 9.936 -1.534 1.00 0.00 N ATOM 0 H GLN A 26 7.587 9.699 -5.420 1.00 0.00 H new ATOM 0 HA GLN A 26 5.964 9.956 -3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.994 12.015 -5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.263 12.400 -3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.789 10.725 -3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.730 12.351 -3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.548 9.607 -2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.631 9.556 -0.598 1.00 0.00 H new ATOM 403 N HIS A 27 4.638 10.489 -6.057 1.00 0.00 N ATOM 404 CA HIS A 27 3.404 10.652 -6.810 1.00 0.00 C ATOM 405 C HIS A 27 2.442 9.528 -6.447 1.00 0.00 C ATOM 406 O HIS A 27 1.321 9.755 -5.979 1.00 0.00 O ATOM 407 CB HIS A 27 3.752 10.556 -8.295 1.00 0.00 C ATOM 408 CG HIS A 27 2.831 11.398 -9.123 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.492 11.579 -8.816 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.058 12.109 -10.270 1.00 0.00 C ATOM 411 CE1 HIS A 27 0.966 12.376 -9.766 1.00 0.00 C ATOM 412 NE2 HIS A 27 1.880 12.728 -10.678 1.00 0.00 N ATOM 0 H HIS A 27 5.460 10.319 -6.637 1.00 0.00 H new ATOM 0 HA HIS A 27 2.937 11.611 -6.583 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.782 10.877 -8.451 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.689 9.517 -8.619 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.007 12.179 -10.781 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.066 12.692 -9.789 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.743 13.322 -11.496 1.00 0.00 H new ATOM 420 N ILE A 28 2.913 8.304 -6.656 1.00 0.00 N ATOM 421 CA ILE A 28 2.128 7.124 -6.346 1.00 0.00 C ATOM 422 C ILE A 28 1.856 7.053 -4.850 1.00 0.00 C ATOM 423 O ILE A 28 0.807 6.570 -4.424 1.00 0.00 O ATOM 424 CB ILE A 28 2.871 5.873 -6.816 1.00 0.00 C ATOM 425 CG1 ILE A 28 2.986 5.906 -8.342 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.106 4.621 -6.382 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.756 4.678 -8.824 1.00 0.00 C ATOM 0 H ILE A 28 3.837 8.107 -7.040 1.00 0.00 H new ATOM 0 HA ILE A 28 1.172 7.182 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 28 3.866 5.850 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.993 5.925 -8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.497 6.815 -8.659 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.640 3.733 -6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.023 4.603 -5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.109 4.633 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.837 4.703 -9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.754 4.679 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.227 3.775 -8.520 1.00 0.00 H new ATOM 439 N VAL A 29 2.797 7.559 -4.055 1.00 0.00 N ATOM 440 CA VAL A 29 2.624 7.559 -2.610 1.00 0.00 C ATOM 441 C VAL A 29 1.337 8.283 -2.251 1.00 0.00 C ATOM 442 O VAL A 29 0.554 7.806 -1.431 1.00 0.00 O ATOM 443 CB VAL A 29 3.810 8.244 -1.928 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.472 8.506 -0.460 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.036 7.332 -2.006 1.00 0.00 C ATOM 0 H VAL A 29 3.672 7.967 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 29 2.571 6.527 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 29 4.021 9.188 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.317 8.994 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.595 9.151 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.263 7.560 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.882 7.818 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.821 6.390 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.279 7.138 -3.051 1.00 0.00 H new ATOM 455 N GLN A 30 1.107 9.427 -2.891 1.00 0.00 N ATOM 456 CA GLN A 30 -0.112 10.177 -2.637 1.00 0.00 C ATOM 457 C GLN A 30 -1.302 9.308 -2.994 1.00 0.00 C ATOM 458 O GLN A 30 -2.288 9.251 -2.258 1.00 0.00 O ATOM 459 CB GLN A 30 -0.149 11.464 -3.467 1.00 0.00 C ATOM 460 CG GLN A 30 1.012 12.376 -3.068 1.00 0.00 C ATOM 461 CD GLN A 30 1.091 12.493 -1.551 1.00 0.00 C ATOM 462 OE1 GLN A 30 0.064 12.621 -0.883 1.00 0.00 O ATOM 463 NE2 GLN A 30 2.255 12.456 -0.963 1.00 0.00 N ATOM 0 H GLN A 30 1.737 9.845 -3.575 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.145 10.453 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.086 11.224 -4.528 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.097 11.979 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.948 11.977 -3.459 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.877 13.363 -3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.104 12.350 -1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.316 12.533 0.052 1.00 0.00 H new ATOM 472 N ARG A 31 -1.193 8.600 -4.115 1.00 0.00 N ATOM 473 CA ARG A 31 -2.268 7.712 -4.528 1.00 0.00 C ATOM 474 C ARG A 31 -2.448 6.618 -3.484 1.00 0.00 C ATOM 475 O ARG A 31 -3.570 6.266 -3.127 1.00 0.00 O ATOM 476 CB ARG A 31 -1.959 7.087 -5.887 1.00 0.00 C ATOM 477 CG ARG A 31 -1.987 8.171 -6.965 1.00 0.00 C ATOM 478 CD ARG A 31 -1.884 7.517 -8.341 1.00 0.00 C ATOM 479 NE ARG A 31 -1.799 8.535 -9.381 1.00 0.00 N ATOM 480 CZ ARG A 31 -2.873 9.219 -9.758 1.00 0.00 C ATOM 481 NH1 ARG A 31 -4.064 8.783 -9.451 1.00 0.00 N ATOM 482 NH2 ARG A 31 -2.738 10.326 -10.433 1.00 0.00 N ATOM 0 H ARG A 31 -0.388 8.624 -4.740 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.188 8.290 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.981 6.607 -5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.689 6.311 -6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.908 8.749 -6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.162 8.868 -6.818 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.005 6.873 -8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.752 6.882 -8.515 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.901 8.725 -9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.169 7.917 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.889 9.308 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.807 10.667 -10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.563 10.851 -10.722 1.00 0.00 H new ATOM 496 N VAL A 32 -1.334 6.102 -2.975 1.00 0.00 N ATOM 497 CA VAL A 32 -1.393 5.071 -1.949 1.00 0.00 C ATOM 498 C VAL A 32 -2.041 5.645 -0.694 1.00 0.00 C ATOM 499 O VAL A 32 -3.012 5.099 -0.177 1.00 0.00 O ATOM 500 CB VAL A 32 0.017 4.577 -1.621 1.00 0.00 C ATOM 501 CG1 VAL A 32 -0.047 3.599 -0.449 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.607 3.868 -2.843 1.00 0.00 C ATOM 0 H VAL A 32 -0.392 6.377 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.985 4.232 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 32 0.646 5.426 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.957 3.246 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.468 4.102 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.676 2.750 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.612 3.516 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.022 3.019 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.652 4.564 -3.681 1.00 0.00 H new ATOM 512 N LYS A 33 -1.499 6.764 -0.222 1.00 0.00 N ATOM 513 CA LYS A 33 -2.032 7.421 0.963 1.00 0.00 C ATOM 514 C LYS A 33 -3.464 7.896 0.739 1.00 0.00 C ATOM 515 O LYS A 33 -4.314 7.773 1.621 1.00 0.00 O ATOM 516 CB LYS A 33 -1.154 8.613 1.329 1.00 0.00 C ATOM 517 CG LYS A 33 0.197 8.113 1.837 1.00 0.00 C ATOM 518 CD LYS A 33 0.996 9.293 2.389 1.00 0.00 C ATOM 519 CE LYS A 33 2.377 8.814 2.841 1.00 0.00 C ATOM 520 NZ LYS A 33 2.974 9.826 3.760 1.00 0.00 N ATOM 0 H LYS A 33 -0.695 7.231 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.035 6.696 1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.013 9.255 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.642 9.216 2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.051 7.362 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.748 7.632 1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.100 10.064 1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.465 9.744 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.293 7.852 3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.024 8.665 1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.913 9.503 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.067 10.735 3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.359 9.947 4.590 1.00 0.00 H new ATOM 534 N ASN A 34 -3.722 8.454 -0.441 1.00 0.00 N ATOM 535 CA ASN A 34 -5.049 8.961 -0.764 1.00 0.00 C ATOM 536 C ASN A 34 -6.092 7.850 -0.714 1.00 0.00 C ATOM 537 O ASN A 34 -7.182 8.036 -0.170 1.00 0.00 O ATOM 538 CB ASN A 34 -5.028 9.585 -2.160 1.00 0.00 C ATOM 539 CG ASN A 34 -4.149 10.834 -2.157 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.496 11.170 -3.237 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -4.052 11.522 -1.140 1.00 0.00 N flip ATOM 0 H ASN A 34 -3.033 8.565 -1.184 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.320 9.713 -0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.649 8.864 -2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.041 9.843 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.562 11.260 -0.296 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.462 12.354 -1.141 1.00 0.00 H new ATOM 548 N ILE A 35 -5.755 6.697 -1.276 1.00 0.00 N ATOM 549 CA ILE A 35 -6.676 5.565 -1.279 1.00 0.00 C ATOM 550 C ILE A 35 -6.852 5.008 0.129 1.00 0.00 C ATOM 551 O ILE A 35 -7.977 4.797 0.585 1.00 0.00 O ATOM 552 CB ILE A 35 -6.155 4.472 -2.207 1.00 0.00 C ATOM 553 CG1 ILE A 35 -6.136 4.998 -3.646 1.00 0.00 C ATOM 554 CG2 ILE A 35 -7.068 3.246 -2.125 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.370 4.021 -4.539 1.00 0.00 C ATOM 0 H ILE A 35 -4.860 6.520 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.645 5.911 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.146 4.190 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.155 5.119 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.666 5.981 -3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.692 2.468 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.084 2.872 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.078 3.524 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.357 4.397 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.347 3.922 -4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.859 3.047 -4.516 1.00 0.00 H new ATOM 567 N LEU A 36 -5.739 4.774 0.820 1.00 0.00 N ATOM 568 CA LEU A 36 -5.801 4.248 2.178 1.00 0.00 C ATOM 569 C LEU A 36 -6.572 5.215 3.064 1.00 0.00 C ATOM 570 O LEU A 36 -7.374 4.806 3.902 1.00 0.00 O ATOM 571 CB LEU A 36 -4.387 4.057 2.739 1.00 0.00 C ATOM 572 CG LEU A 36 -3.594 3.098 1.845 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.098 3.268 2.121 1.00 0.00 C ATOM 574 CD2 LEU A 36 -3.989 1.651 2.148 1.00 0.00 C ATOM 0 H LEU A 36 -4.796 4.938 0.467 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.308 3.283 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.877 5.019 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.440 3.662 3.754 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.813 3.324 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.531 2.587 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.803 4.295 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.893 3.043 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.420 0.977 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.774 1.426 3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.054 1.518 1.960 1.00 0.00 H new ATOM 586 N ALA A 37 -6.338 6.503 2.854 1.00 0.00 N ATOM 587 CA ALA A 37 -7.029 7.524 3.620 1.00 0.00 C ATOM 588 C ALA A 37 -8.494 7.566 3.214 1.00 0.00 C ATOM 589 O ALA A 37 -9.321 8.176 3.890 1.00 0.00 O ATOM 590 CB ALA A 37 -6.384 8.890 3.381 1.00 0.00 C ATOM 0 H ALA A 37 -5.679 6.862 2.163 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.956 7.282 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.911 9.648 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.339 8.858 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.441 9.139 2.321 1.00 0.00 H new ATOM 596 N ALA A 38 -8.805 6.916 2.093 1.00 0.00 N ATOM 597 CA ALA A 38 -10.174 6.895 1.595 1.00 0.00 C ATOM 598 C ALA A 38 -11.000 5.823 2.301 1.00 0.00 C ATOM 599 O ALA A 38 -12.230 5.883 2.308 1.00 0.00 O ATOM 600 CB ALA A 38 -10.175 6.629 0.088 1.00 0.00 C ATOM 0 H ALA A 38 -8.134 6.404 1.520 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.623 7.867 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.202 6.614 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.619 7.417 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.705 5.666 -0.112 1.00 0.00 H new ATOM 606 N VAL A 39 -10.324 4.844 2.889 1.00 0.00 N ATOM 607 CA VAL A 39 -11.020 3.768 3.587 1.00 0.00 C ATOM 608 C VAL A 39 -11.261 4.133 5.050 1.00 0.00 C ATOM 609 O VAL A 39 -11.963 3.420 5.766 1.00 0.00 O ATOM 610 CB VAL A 39 -10.213 2.470 3.500 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.868 2.651 4.206 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.989 1.339 4.180 1.00 0.00 C ATOM 0 H VAL A 39 -9.307 4.772 2.898 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.986 3.621 3.104 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.044 2.222 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.296 1.725 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.311 3.456 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.038 2.901 5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.414 0.415 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.158 1.592 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.948 1.204 3.680 1.00 0.00 H new ATOM 622 N GLU A 40 -10.674 5.245 5.485 1.00 0.00 N ATOM 623 CA GLU A 40 -10.829 5.695 6.864 1.00 0.00 C ATOM 624 C GLU A 40 -10.911 4.506 7.819 1.00 0.00 C ATOM 625 O GLU A 40 -9.911 4.111 8.419 1.00 0.00 O ATOM 626 CB GLU A 40 -12.091 6.548 7.001 1.00 0.00 C ATOM 627 CG GLU A 40 -11.928 7.834 6.189 1.00 0.00 C ATOM 628 CD GLU A 40 -13.151 8.727 6.370 1.00 0.00 C ATOM 629 OE1 GLU A 40 -14.099 8.283 6.995 1.00 0.00 O ATOM 630 OE2 GLU A 40 -13.121 9.845 5.878 1.00 0.00 O ATOM 0 H GLU A 40 -10.090 5.848 4.905 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.956 6.293 7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.959 5.991 6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.269 6.787 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.031 8.364 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.797 7.593 5.134 1.00 0.00 H new ATOM 637 N ALA A 41 -12.107 3.942 7.955 1.00 0.00 N ATOM 638 CA ALA A 41 -12.312 2.800 8.843 1.00 0.00 C ATOM 639 C ALA A 41 -11.715 3.077 10.221 1.00 0.00 C ATOM 640 O ALA A 41 -10.902 3.986 10.386 1.00 0.00 O ATOM 641 CB ALA A 41 -11.662 1.550 8.246 1.00 0.00 C ATOM 0 H ALA A 41 -12.946 4.254 7.465 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.384 2.636 8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.820 0.703 8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.110 1.335 7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.593 1.720 8.122 1.00 0.00 H new ATOM 647 N THR A 42 -12.127 2.287 11.208 1.00 0.00 N ATOM 648 CA THR A 42 -11.627 2.456 12.568 1.00 0.00 C ATOM 649 C THR A 42 -10.229 1.863 12.709 1.00 0.00 C ATOM 650 O THR A 42 -9.596 1.985 13.758 1.00 0.00 O ATOM 651 CB THR A 42 -12.573 1.782 13.564 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.679 0.400 13.254 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.954 2.435 13.483 1.00 0.00 C ATOM 0 H THR A 42 -12.800 1.529 11.093 1.00 0.00 H new ATOM 0 HA THR A 42 -11.577 3.524 12.781 1.00 0.00 H new ATOM 0 HB THR A 42 -12.180 1.898 14.574 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.283 -0.033 13.892 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.626 1.954 14.193 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.870 3.495 13.724 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.351 2.323 12.474 1.00 0.00 H new ATOM 661 N VAL A 43 -9.751 1.220 11.647 1.00 0.00 N ATOM 662 CA VAL A 43 -8.430 0.613 11.664 1.00 0.00 C ATOM 663 C VAL A 43 -7.531 1.260 10.614 1.00 0.00 C ATOM 664 O VAL A 43 -7.368 0.742 9.509 1.00 0.00 O ATOM 665 CB VAL A 43 -8.556 -0.882 11.387 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.963 -1.609 12.671 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.623 -1.109 10.316 1.00 0.00 C ATOM 0 H VAL A 43 -10.258 1.108 10.769 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.982 0.767 12.646 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.598 -1.269 11.039 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.053 -2.677 12.472 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.206 -1.445 13.438 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.921 -1.223 13.019 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.716 -2.176 10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.579 -0.721 10.667 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.336 -0.591 9.401 1.00 0.00 H new ATOM 677 N PRO A 44 -6.952 2.381 10.948 1.00 0.00 N ATOM 678 CA PRO A 44 -6.051 3.128 10.029 1.00 0.00 C ATOM 679 C PRO A 44 -4.783 2.345 9.700 1.00 0.00 C ATOM 680 O PRO A 44 -4.344 1.498 10.478 1.00 0.00 O ATOM 681 CB PRO A 44 -5.714 4.429 10.765 1.00 0.00 C ATOM 682 CG PRO A 44 -6.435 4.408 12.078 1.00 0.00 C ATOM 683 CD PRO A 44 -7.100 3.042 12.248 1.00 0.00 C ATOM 0 HA PRO A 44 -6.535 3.309 9.069 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.638 4.513 10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.019 5.293 10.175 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.738 4.594 12.895 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.183 5.200 12.111 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.621 2.466 13.040 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.150 3.146 12.520 1.00 0.00 H new ATOM 691 N ILE A 45 -4.202 2.637 8.540 1.00 0.00 N ATOM 692 CA ILE A 45 -2.985 1.955 8.112 1.00 0.00 C ATOM 693 C ILE A 45 -1.771 2.862 8.276 1.00 0.00 C ATOM 694 O ILE A 45 -1.848 4.067 8.032 1.00 0.00 O ATOM 695 CB ILE A 45 -3.094 1.547 6.644 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.385 0.752 6.428 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.885 0.681 6.272 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.490 1.695 5.946 1.00 0.00 C ATOM 0 H ILE A 45 -4.551 3.336 7.884 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.864 1.069 8.736 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.113 2.437 6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.220 -0.037 5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.686 0.267 7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.957 0.386 5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.968 1.250 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.869 -0.210 6.899 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.409 1.130 5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.661 2.468 6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.188 2.159 5.007 1.00 0.00 H new ATOM 710 N SER A 46 -0.648 2.274 8.669 1.00 0.00 N ATOM 711 CA SER A 46 0.580 3.039 8.835 1.00 0.00 C ATOM 712 C SER A 46 1.481 2.810 7.628 1.00 0.00 C ATOM 713 O SER A 46 1.941 1.693 7.391 1.00 0.00 O ATOM 714 CB SER A 46 1.304 2.600 10.109 1.00 0.00 C ATOM 715 OG SER A 46 2.376 3.496 10.371 1.00 0.00 O ATOM 0 H SER A 46 -0.562 1.279 8.877 1.00 0.00 H new ATOM 0 HA SER A 46 0.336 4.098 8.916 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.610 2.588 10.950 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.683 1.584 9.994 1.00 0.00 H new ATOM 0 HG SER A 46 2.842 3.219 11.188 1.00 0.00 H new ATOM 721 N LEU A 47 1.717 3.866 6.856 1.00 0.00 N ATOM 722 CA LEU A 47 2.551 3.744 5.666 1.00 0.00 C ATOM 723 C LEU A 47 3.960 4.260 5.935 1.00 0.00 C ATOM 724 O LEU A 47 4.155 5.440 6.226 1.00 0.00 O ATOM 725 CB LEU A 47 1.931 4.547 4.518 1.00 0.00 C ATOM 726 CG LEU A 47 2.372 3.977 3.163 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.097 5.009 2.069 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.871 3.657 3.176 1.00 0.00 C ATOM 0 H LEU A 47 1.349 4.802 7.029 1.00 0.00 H new ATOM 0 HA LEU A 47 2.609 2.690 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.844 4.521 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.231 5.592 4.594 1.00 0.00 H new ATOM 0 HG LEU A 47 1.813 3.061 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.409 4.609 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.031 5.234 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.655 5.921 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.165 3.254 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.436 4.567 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.079 2.922 3.953 1.00 0.00 H new ATOM 740 N GLN A 48 4.937 3.372 5.814 1.00 0.00 N ATOM 741 CA GLN A 48 6.323 3.739 6.022 1.00 0.00 C ATOM 742 C GLN A 48 7.107 3.522 4.730 1.00 0.00 C ATOM 743 O GLN A 48 6.923 2.520 4.045 1.00 0.00 O ATOM 744 CB GLN A 48 6.905 2.897 7.152 1.00 0.00 C ATOM 745 CG GLN A 48 6.341 3.382 8.489 1.00 0.00 C ATOM 746 CD GLN A 48 6.874 2.523 9.629 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.477 1.476 9.390 1.00 0.00 O ATOM 748 NE2 GLN A 48 6.688 2.907 10.862 1.00 0.00 N ATOM 0 H GLN A 48 4.791 2.392 5.572 1.00 0.00 H new ATOM 0 HA GLN A 48 6.391 4.791 6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.659 1.846 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.992 2.973 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.615 4.424 8.651 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.252 3.338 8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.188 3.775 11.056 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.042 2.340 11.632 1.00 0.00 H new ATOM 757 N VAL A 49 7.967 4.472 4.390 1.00 0.00 N ATOM 758 CA VAL A 49 8.747 4.367 3.161 1.00 0.00 C ATOM 759 C VAL A 49 10.156 3.873 3.435 1.00 0.00 C ATOM 760 O VAL A 49 10.824 4.338 4.359 1.00 0.00 O ATOM 761 CB VAL A 49 8.832 5.726 2.462 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.440 5.542 1.068 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.430 6.327 2.339 1.00 0.00 C ATOM 0 H VAL A 49 8.142 5.314 4.938 1.00 0.00 H new ATOM 0 HA VAL A 49 8.238 3.648 2.519 1.00 0.00 H new ATOM 0 HB VAL A 49 9.460 6.399 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.502 6.508 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.439 5.116 1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.812 4.870 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.491 7.295 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.797 5.658 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.001 6.457 3.333 1.00 0.00 H new ATOM 773 N ILE A 50 10.613 2.951 2.600 1.00 0.00 N ATOM 774 CA ILE A 50 11.955 2.423 2.729 1.00 0.00 C ATOM 775 C ILE A 50 12.743 2.784 1.486 1.00 0.00 C ATOM 776 O ILE A 50 12.314 2.500 0.367 1.00 0.00 O ATOM 777 CB ILE A 50 11.920 0.903 2.889 1.00 0.00 C ATOM 778 CG1 ILE A 50 10.991 0.539 4.048 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.329 0.387 3.180 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.217 -0.921 4.448 1.00 0.00 C ATOM 0 H ILE A 50 10.073 2.557 1.830 1.00 0.00 H new ATOM 0 HA ILE A 50 12.427 2.853 3.613 1.00 0.00 H new ATOM 0 HB ILE A 50 11.552 0.447 1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.181 1.193 4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.952 0.690 3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.303 -0.697 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.990 0.649 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.700 0.840 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.554 -1.179 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.005 -1.568 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.253 -1.057 4.758 1.00 0.00 H new ATOM 792 N ASN A 51 13.889 3.416 1.672 1.00 0.00 N ATOM 793 CA ASN A 51 14.699 3.804 0.535 1.00 0.00 C ATOM 794 C ASN A 51 15.530 2.612 0.077 1.00 0.00 C ATOM 795 O ASN A 51 16.445 2.176 0.776 1.00 0.00 O ATOM 796 CB ASN A 51 15.616 4.970 0.910 1.00 0.00 C ATOM 797 CG ASN A 51 16.141 5.655 -0.349 1.00 0.00 C ATOM 798 OD1 ASN A 51 15.775 5.218 -1.524 1.00 0.00 O flip ATOM 799 ND2 ASN A 51 16.903 6.617 -0.259 1.00 0.00 N flip ATOM 0 H ASN A 51 14.273 3.667 2.583 1.00 0.00 H new ATOM 0 HA ASN A 51 14.047 4.125 -0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.071 5.688 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.450 4.607 1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.188 6.958 0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.249 7.074 -1.103 1.00 0.00 H new ATOM 806 N VAL A 52 15.195 2.079 -1.091 1.00 0.00 N ATOM 807 CA VAL A 52 15.907 0.922 -1.621 1.00 0.00 C ATOM 808 C VAL A 52 17.405 1.188 -1.672 1.00 0.00 C ATOM 809 O VAL A 52 18.213 0.260 -1.630 1.00 0.00 O ATOM 810 CB VAL A 52 15.390 0.593 -3.022 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.953 0.078 -2.922 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.416 1.857 -3.886 1.00 0.00 C ATOM 0 H VAL A 52 14.442 2.425 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 52 15.729 0.073 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 52 16.023 -0.170 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.581 -0.158 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.930 -0.820 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.322 0.844 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.048 1.623 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.781 2.619 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.438 2.230 -3.955 1.00 0.00 H new ATOM 822 N ALA A 53 17.769 2.460 -1.753 1.00 0.00 N ATOM 823 CA ALA A 53 19.171 2.841 -1.799 1.00 0.00 C ATOM 824 C ALA A 53 19.814 2.688 -0.424 1.00 0.00 C ATOM 825 O ALA A 53 21.035 2.779 -0.291 1.00 0.00 O ATOM 826 CB ALA A 53 19.300 4.291 -2.271 1.00 0.00 C ATOM 0 H ALA A 53 17.115 3.242 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 53 19.686 2.184 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.353 4.571 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.868 4.389 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.771 4.947 -1.579 1.00 0.00 H new ATOM 832 N ASP A 54 18.992 2.472 0.600 1.00 0.00 N ATOM 833 CA ASP A 54 19.511 2.332 1.951 1.00 0.00 C ATOM 834 C ASP A 54 19.729 0.868 2.317 1.00 0.00 C ATOM 835 O ASP A 54 20.785 0.503 2.831 1.00 0.00 O ATOM 836 CB ASP A 54 18.548 2.968 2.955 1.00 0.00 C ATOM 837 CG ASP A 54 18.538 4.484 2.784 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.389 4.985 2.066 1.00 0.00 O ATOM 839 OD2 ASP A 54 17.682 5.121 3.374 1.00 0.00 O ATOM 0 H ASP A 54 17.978 2.392 0.519 1.00 0.00 H new ATOM 0 HA ASP A 54 20.473 2.843 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.543 2.571 2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.847 2.711 3.971 1.00 0.00 H new ATOM 844 N GLN A 55 18.721 0.032 2.077 1.00 0.00 N ATOM 845 CA GLN A 55 18.835 -1.376 2.420 1.00 0.00 C ATOM 846 C GLN A 55 18.360 -2.274 1.278 1.00 0.00 C ATOM 847 O GLN A 55 17.256 -2.810 1.303 1.00 0.00 O ATOM 848 CB GLN A 55 18.039 -1.638 3.702 1.00 0.00 C ATOM 849 CG GLN A 55 16.538 -1.691 3.408 1.00 0.00 C ATOM 850 CD GLN A 55 16.194 -0.800 2.219 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.498 0.393 2.227 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.568 -1.310 1.196 1.00 0.00 N ATOM 0 H GLN A 55 17.833 0.302 1.654 1.00 0.00 H new ATOM 0 HA GLN A 55 19.884 -1.618 2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.360 -2.579 4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.244 -0.853 4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.239 -2.718 3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.978 -1.368 4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.318 -2.299 1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.329 -0.720 0.399 1.00 0.00 H new ATOM 861 N PRO A 56 19.187 -2.450 0.283 1.00 0.00 N ATOM 862 CA PRO A 56 18.869 -3.303 -0.895 1.00 0.00 C ATOM 863 C PRO A 56 18.904 -4.787 -0.546 1.00 0.00 C ATOM 864 O PRO A 56 18.547 -5.638 -1.361 1.00 0.00 O ATOM 865 CB PRO A 56 19.953 -2.970 -1.927 1.00 0.00 C ATOM 866 CG PRO A 56 20.847 -1.934 -1.313 1.00 0.00 C ATOM 867 CD PRO A 56 20.520 -1.855 0.176 1.00 0.00 C ATOM 0 HA PRO A 56 17.863 -3.108 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.522 -3.862 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.506 -2.595 -2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.894 -2.198 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.692 -0.966 -1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.249 -2.402 0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.526 -0.824 0.531 1.00 0.00 H new ATOM 875 N GLN A 57 19.357 -5.087 0.664 1.00 0.00 N ATOM 876 CA GLN A 57 19.464 -6.470 1.115 1.00 0.00 C ATOM 877 C GLN A 57 18.100 -7.098 1.368 1.00 0.00 C ATOM 878 O GLN A 57 17.841 -8.220 0.931 1.00 0.00 O ATOM 879 CB GLN A 57 20.280 -6.525 2.405 1.00 0.00 C ATOM 880 CG GLN A 57 20.159 -7.918 3.023 1.00 0.00 C ATOM 881 CD GLN A 57 21.050 -8.014 4.255 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.745 -7.056 4.596 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.078 -9.121 4.944 1.00 0.00 N ATOM 0 H GLN A 57 19.656 -4.394 1.350 1.00 0.00 H new ATOM 0 HA GLN A 57 19.955 -7.035 0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.325 -6.297 2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.923 -5.771 3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.123 -8.116 3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.447 -8.676 2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.502 -9.913 4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.676 -9.195 5.767 1.00 0.00 H new ATOM 892 N LEU A 58 17.230 -6.393 2.078 1.00 0.00 N ATOM 893 CA LEU A 58 15.917 -6.937 2.367 1.00 0.00 C ATOM 894 C LEU A 58 15.070 -6.930 1.100 1.00 0.00 C ATOM 895 O LEU A 58 14.181 -7.764 0.928 1.00 0.00 O ATOM 896 CB LEU A 58 15.255 -6.134 3.495 1.00 0.00 C ATOM 897 CG LEU A 58 14.421 -4.991 2.921 1.00 0.00 C ATOM 898 CD1 LEU A 58 13.052 -5.531 2.523 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.229 -3.896 3.980 1.00 0.00 C ATOM 0 H LEU A 58 17.407 -5.462 2.456 1.00 0.00 H new ATOM 0 HA LEU A 58 16.010 -7.969 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.621 -6.790 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.019 -5.735 4.162 1.00 0.00 H new ATOM 0 HG LEU A 58 14.934 -4.572 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.448 -4.723 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.173 -6.312 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.555 -5.945 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.633 -3.085 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.716 -4.314 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.202 -3.511 4.286 1.00 0.00 H new ATOM 911 N VAL A 59 15.374 -5.998 0.205 1.00 0.00 N ATOM 912 CA VAL A 59 14.657 -5.899 -1.060 1.00 0.00 C ATOM 913 C VAL A 59 14.877 -7.169 -1.881 1.00 0.00 C ATOM 914 O VAL A 59 13.933 -7.749 -2.414 1.00 0.00 O ATOM 915 CB VAL A 59 15.167 -4.681 -1.830 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.367 -4.514 -3.118 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.001 -3.431 -0.963 1.00 0.00 C ATOM 0 H VAL A 59 16.109 -5.302 0.331 1.00 0.00 H new ATOM 0 HA VAL A 59 13.590 -5.787 -0.870 1.00 0.00 H new ATOM 0 HB VAL A 59 16.219 -4.822 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.734 -3.645 -3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.481 -5.405 -3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.314 -4.373 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.363 -2.559 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.947 -3.294 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.574 -3.548 -0.043 1.00 0.00 H new ATOM 927 N GLU A 60 16.127 -7.612 -1.959 1.00 0.00 N ATOM 928 CA GLU A 60 16.450 -8.828 -2.702 1.00 0.00 C ATOM 929 C GLU A 60 15.872 -10.050 -1.997 1.00 0.00 C ATOM 930 O GLU A 60 15.513 -11.035 -2.641 1.00 0.00 O ATOM 931 CB GLU A 60 17.967 -8.973 -2.839 1.00 0.00 C ATOM 932 CG GLU A 60 18.509 -7.827 -3.693 1.00 0.00 C ATOM 933 CD GLU A 60 20.011 -7.989 -3.897 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.588 -8.849 -3.251 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.565 -7.251 -4.695 1.00 0.00 O ATOM 0 H GLU A 60 16.927 -7.154 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 60 16.009 -8.756 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.435 -8.961 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.212 -9.931 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.003 -7.812 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.301 -6.873 -3.209 1.00 0.00 H new ATOM 942 N TYR A 61 15.775 -9.977 -0.672 1.00 0.00 N ATOM 943 CA TYR A 61 15.226 -11.088 0.096 1.00 0.00 C ATOM 944 C TYR A 61 13.852 -11.456 -0.448 1.00 0.00 C ATOM 945 O TYR A 61 13.528 -12.633 -0.613 1.00 0.00 O ATOM 946 CB TYR A 61 15.108 -10.705 1.571 1.00 0.00 C ATOM 947 CG TYR A 61 14.571 -11.881 2.349 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.447 -12.860 2.831 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.196 -11.994 2.585 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.948 -13.952 3.550 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.697 -13.086 3.304 1.00 0.00 C ATOM 952 CZ TYR A 61 13.572 -14.066 3.786 1.00 0.00 C ATOM 953 OH TYR A 61 13.078 -15.142 4.494 1.00 0.00 O ATOM 0 H TYR A 61 16.065 -9.173 -0.116 1.00 0.00 H new ATOM 0 HA TYR A 61 15.895 -11.944 0.006 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.082 -10.410 1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.446 -9.846 1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.508 -12.773 2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.520 -11.239 2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.624 -14.707 3.923 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.636 -13.172 3.487 1.00 0.00 H new ATOM 0 HH TYR A 61 12.104 -15.066 4.568 1.00 0.00 H new ATOM 963 N TYR A 62 13.061 -10.433 -0.747 1.00 0.00 N ATOM 964 CA TYR A 62 11.732 -10.634 -1.300 1.00 0.00 C ATOM 965 C TYR A 62 11.833 -10.823 -2.802 1.00 0.00 C ATOM 966 O TYR A 62 10.839 -10.703 -3.520 1.00 0.00 O ATOM 967 CB TYR A 62 10.862 -9.408 -1.024 1.00 0.00 C ATOM 968 CG TYR A 62 10.484 -9.349 0.433 1.00 0.00 C ATOM 969 CD1 TYR A 62 9.657 -10.335 0.981 1.00 0.00 C ATOM 970 CD2 TYR A 62 10.954 -8.303 1.231 1.00 0.00 C ATOM 971 CE1 TYR A 62 9.299 -10.273 2.332 1.00 0.00 C ATOM 972 CE2 TYR A 62 10.597 -8.239 2.581 1.00 0.00 C ATOM 973 CZ TYR A 62 9.769 -9.225 3.133 1.00 0.00 C ATOM 974 OH TYR A 62 9.416 -9.162 4.466 1.00 0.00 O ATOM 0 H TYR A 62 13.319 -9.455 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 62 11.287 -11.515 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.400 -8.502 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.962 -9.447 -1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.295 -11.143 0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.593 -7.544 0.805 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.660 -11.033 2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 62 10.959 -7.430 3.198 1.00 0.00 H new ATOM 0 HH TYR A 62 9.828 -8.373 4.877 1.00 0.00 H new ATOM 984 N ARG A 63 13.043 -11.076 -3.281 1.00 0.00 N ATOM 985 CA ARG A 63 13.249 -11.226 -4.709 1.00 0.00 C ATOM 986 C ARG A 63 12.821 -9.937 -5.390 1.00 0.00 C ATOM 987 O ARG A 63 12.828 -9.822 -6.615 1.00 0.00 O ATOM 988 CB ARG A 63 12.440 -12.406 -5.241 1.00 0.00 C ATOM 989 CG ARG A 63 13.041 -13.705 -4.709 1.00 0.00 C ATOM 990 CD ARG A 63 12.328 -14.892 -5.346 1.00 0.00 C ATOM 991 NE ARG A 63 10.938 -14.947 -4.901 1.00 0.00 N ATOM 992 CZ ARG A 63 9.952 -14.482 -5.660 1.00 0.00 C ATOM 993 NH1 ARG A 63 10.217 -13.687 -6.660 1.00 0.00 N ATOM 994 NH2 ARG A 63 8.717 -14.820 -5.405 1.00 0.00 N ATOM 0 H ARG A 63 13.882 -11.180 -2.711 1.00 0.00 H new ATOM 0 HA ARG A 63 14.301 -11.423 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.399 -12.319 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.448 -12.407 -6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.107 -13.744 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.942 -13.747 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.366 -14.808 -6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.839 -15.817 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 63 10.720 -15.350 -3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.182 -13.422 -6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.459 -13.330 -7.243 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.509 -15.441 -4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.960 -14.463 -5.988 1.00 0.00 H new ATOM 1008 N LEU A 64 12.458 -8.966 -4.556 1.00 0.00 N ATOM 1009 CA LEU A 64 12.031 -7.657 -5.026 1.00 0.00 C ATOM 1010 C LEU A 64 13.196 -6.974 -5.739 1.00 0.00 C ATOM 1011 O LEU A 64 14.309 -6.930 -5.217 1.00 0.00 O ATOM 1012 CB LEU A 64 11.577 -6.825 -3.814 1.00 0.00 C ATOM 1013 CG LEU A 64 10.730 -5.630 -4.248 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.580 -4.669 -5.073 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.547 -6.112 -5.079 1.00 0.00 C ATOM 0 H LEU A 64 12.452 -9.066 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 64 11.202 -7.753 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.002 -7.453 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.450 -6.474 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 64 10.360 -5.113 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.972 -3.818 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.419 -4.318 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.957 -5.184 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.946 -5.256 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.912 -6.635 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.936 -6.790 -4.483 1.00 0.00 H new ATOM 1027 N VAL A 65 12.947 -6.468 -6.940 1.00 0.00 N ATOM 1028 CA VAL A 65 14.004 -5.813 -7.707 1.00 0.00 C ATOM 1029 C VAL A 65 13.461 -4.670 -8.565 1.00 0.00 C ATOM 1030 O VAL A 65 14.224 -3.985 -9.246 1.00 0.00 O ATOM 1031 CB VAL A 65 14.697 -6.836 -8.607 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.828 -6.151 -9.373 1.00 0.00 C ATOM 1033 CG2 VAL A 65 15.274 -7.965 -7.749 1.00 0.00 C ATOM 0 H VAL A 65 12.037 -6.496 -7.401 1.00 0.00 H new ATOM 0 HA VAL A 65 14.715 -5.392 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 65 13.975 -7.249 -9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.324 -6.878 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.419 -5.346 -9.984 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.549 -5.740 -8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 65 15.768 -8.694 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.997 -7.554 -7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 65 14.469 -8.452 -7.199 1.00 0.00 H new ATOM 1043 N VAL A 66 12.149 -4.467 -8.538 1.00 0.00 N ATOM 1044 CA VAL A 66 11.539 -3.409 -9.322 1.00 0.00 C ATOM 1045 C VAL A 66 11.002 -2.311 -8.417 1.00 0.00 C ATOM 1046 O VAL A 66 10.482 -2.585 -7.336 1.00 0.00 O ATOM 1047 CB VAL A 66 10.394 -3.980 -10.147 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.953 -4.867 -11.260 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.480 -4.804 -9.241 1.00 0.00 C ATOM 0 H VAL A 66 11.494 -5.019 -7.984 1.00 0.00 H new ATOM 0 HA VAL A 66 12.298 -2.985 -9.980 1.00 0.00 H new ATOM 0 HB VAL A 66 9.825 -3.164 -10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.131 -5.274 -11.848 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.603 -4.275 -11.905 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.525 -5.685 -10.821 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.659 -5.214 -9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.049 -5.619 -8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.079 -4.167 -8.453 1.00 0.00 H new ATOM 1059 N THR A 67 11.121 -1.071 -8.867 1.00 0.00 N ATOM 1060 CA THR A 67 10.633 0.055 -8.090 1.00 0.00 C ATOM 1061 C THR A 67 9.928 1.057 -9.002 1.00 0.00 C ATOM 1062 O THR A 67 10.270 1.175 -10.178 1.00 0.00 O ATOM 1063 CB THR A 67 11.798 0.727 -7.359 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.850 0.977 -8.281 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.295 -0.202 -6.250 1.00 0.00 C ATOM 0 H THR A 67 11.548 -0.821 -9.759 1.00 0.00 H new ATOM 0 HA THR A 67 9.916 -0.306 -7.352 1.00 0.00 H new ATOM 0 HB THR A 67 11.468 1.670 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.597 1.409 -7.816 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.125 0.270 -5.725 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.484 -0.396 -5.548 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.630 -1.143 -6.686 1.00 0.00 H new ATOM 1073 N PRO A 68 8.949 1.762 -8.496 1.00 0.00 N ATOM 1074 CA PRO A 68 8.503 1.652 -7.079 1.00 0.00 C ATOM 1075 C PRO A 68 7.730 0.364 -6.812 1.00 0.00 C ATOM 1076 O PRO A 68 7.185 -0.252 -7.728 1.00 0.00 O ATOM 1077 CB PRO A 68 7.600 2.874 -6.860 1.00 0.00 C ATOM 1078 CG PRO A 68 7.570 3.638 -8.150 1.00 0.00 C ATOM 1079 CD PRO A 68 8.157 2.743 -9.236 1.00 0.00 C ATOM 0 HA PRO A 68 9.355 1.625 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.595 2.564 -6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.984 3.497 -6.052 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.548 3.923 -8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.146 4.559 -8.062 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.375 2.263 -9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.774 3.312 -9.931 1.00 0.00 H new ATOM 1087 N ALA A 69 7.696 -0.033 -5.547 1.00 0.00 N ATOM 1088 CA ALA A 69 6.997 -1.244 -5.152 1.00 0.00 C ATOM 1089 C ALA A 69 6.439 -1.078 -3.742 1.00 0.00 C ATOM 1090 O ALA A 69 6.916 -0.243 -2.975 1.00 0.00 O ATOM 1091 CB ALA A 69 7.953 -2.437 -5.186 1.00 0.00 C ATOM 0 H ALA A 69 8.144 0.467 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 69 6.178 -1.423 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.419 -3.340 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.343 -2.562 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.780 -2.261 -4.498 1.00 0.00 H new ATOM 1097 N LEU A 70 5.424 -1.864 -3.405 1.00 0.00 N ATOM 1098 CA LEU A 70 4.820 -1.771 -2.084 1.00 0.00 C ATOM 1099 C LEU A 70 4.767 -3.141 -1.417 1.00 0.00 C ATOM 1100 O LEU A 70 4.473 -4.143 -2.069 1.00 0.00 O ATOM 1101 CB LEU A 70 3.412 -1.192 -2.204 1.00 0.00 C ATOM 1102 CG LEU A 70 2.968 -0.629 -0.853 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.864 0.405 -1.074 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.443 -1.754 0.041 1.00 0.00 C ATOM 0 H LEU A 70 5.007 -2.564 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 70 5.431 -1.113 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.395 -0.406 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.717 -1.965 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 70 3.821 -0.159 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.545 0.808 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.243 1.214 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.016 -0.069 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.130 -1.341 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.592 -2.235 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.232 -2.489 0.203 1.00 0.00 H new ATOM 1116 N VAL A 71 5.067 -3.186 -0.121 1.00 0.00 N ATOM 1117 CA VAL A 71 5.057 -4.454 0.599 1.00 0.00 C ATOM 1118 C VAL A 71 4.271 -4.365 1.905 1.00 0.00 C ATOM 1119 O VAL A 71 4.589 -3.562 2.781 1.00 0.00 O ATOM 1120 CB VAL A 71 6.496 -4.877 0.902 1.00 0.00 C ATOM 1121 CG1 VAL A 71 6.496 -6.235 1.606 1.00 0.00 C ATOM 1122 CG2 VAL A 71 7.283 -4.986 -0.407 1.00 0.00 C ATOM 0 H VAL A 71 5.316 -2.373 0.443 1.00 0.00 H new ATOM 0 HA VAL A 71 4.567 -5.192 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 71 6.961 -4.133 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.522 -6.534 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.937 -6.161 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.029 -6.979 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.308 -5.287 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.815 -5.729 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.287 -4.019 -0.911 1.00 0.00 H new ATOM 1132 N LYS A 72 3.262 -5.225 2.036 1.00 0.00 N ATOM 1133 CA LYS A 72 2.453 -5.271 3.252 1.00 0.00 C ATOM 1134 C LYS A 72 3.008 -6.340 4.182 1.00 0.00 C ATOM 1135 O LYS A 72 3.228 -7.475 3.763 1.00 0.00 O ATOM 1136 CB LYS A 72 0.995 -5.598 2.920 1.00 0.00 C ATOM 1137 CG LYS A 72 0.094 -5.168 4.084 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.686 -6.376 4.610 1.00 0.00 C ATOM 1139 CE LYS A 72 -1.630 -6.902 3.528 1.00 0.00 C ATOM 1140 NZ LYS A 72 -1.394 -6.173 2.248 1.00 0.00 N ATOM 0 H LYS A 72 2.987 -5.896 1.319 1.00 0.00 H new ATOM 0 HA LYS A 72 2.491 -4.295 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.696 -5.085 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.884 -6.667 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.697 -4.737 4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.597 -4.393 3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.006 -7.162 4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.256 -6.094 5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.471 -7.970 3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.665 -6.774 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.126 -6.438 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.435 -5.148 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.457 -6.424 1.873 1.00 0.00 H new ATOM 1154 N ILE A 73 3.243 -5.982 5.437 1.00 0.00 N ATOM 1155 CA ILE A 73 3.786 -6.947 6.385 1.00 0.00 C ATOM 1156 C ILE A 73 2.708 -7.521 7.302 1.00 0.00 C ATOM 1157 O ILE A 73 2.883 -8.607 7.854 1.00 0.00 O ATOM 1158 CB ILE A 73 4.895 -6.300 7.218 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.640 -4.796 7.327 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.249 -6.543 6.549 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.242 -4.086 6.112 1.00 0.00 C ATOM 0 H ILE A 73 3.071 -5.051 5.817 1.00 0.00 H new ATOM 0 HA ILE A 73 4.199 -7.774 5.808 1.00 0.00 H new ATOM 0 HB ILE A 73 4.902 -6.740 8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.569 -4.601 7.381 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.082 -4.407 8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.037 -6.081 7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.431 -7.615 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.245 -6.106 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.060 -3.014 6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.316 -4.270 6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.779 -4.467 5.202 1.00 0.00 H new ATOM 1173 N GLY A 74 1.588 -6.817 7.461 1.00 0.00 N ATOM 1174 CA GLY A 74 0.522 -7.335 8.315 1.00 0.00 C ATOM 1175 C GLY A 74 -0.242 -6.223 9.029 1.00 0.00 C ATOM 1176 O GLY A 74 -0.078 -5.042 8.723 1.00 0.00 O ATOM 0 H GLY A 74 1.398 -5.915 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.172 -7.920 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.949 -8.012 9.055 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.082 -6.589 9.968 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.291 -8.014 10.348 1.00 0.00 C ATOM 1182 C PRO A 75 -1.847 -8.833 9.188 1.00 0.00 C ATOM 1183 O PRO A 75 -2.431 -8.286 8.252 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.279 -7.982 11.521 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.605 -6.548 11.799 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.919 -5.676 10.748 1.00 0.00 C ATOM 0 HA PRO A 75 -0.350 -8.491 10.620 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.183 -8.540 11.276 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.843 -8.453 12.402 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.684 -6.394 11.772 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.268 -6.271 12.798 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.651 -5.176 10.114 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.318 -4.896 11.216 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.654 -10.145 9.252 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.133 -11.027 8.197 1.00 0.00 C ATOM 1196 C GLY A 76 -0.985 -11.468 7.291 1.00 0.00 C ATOM 1197 O GLY A 76 0.185 -11.333 7.648 1.00 0.00 O ATOM 0 H GLY A 76 -1.173 -10.618 10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.610 -11.902 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.892 -10.514 7.606 1.00 0.00 H new ATOM 1201 N SER A 77 -1.329 -12.008 6.126 1.00 0.00 N ATOM 1202 CA SER A 77 -0.319 -12.479 5.184 1.00 0.00 C ATOM 1203 C SER A 77 0.435 -11.318 4.543 1.00 0.00 C ATOM 1204 O SER A 77 -0.025 -10.177 4.550 1.00 0.00 O ATOM 1205 CB SER A 77 -0.974 -13.320 4.091 1.00 0.00 C ATOM 1206 OG SER A 77 -0.105 -13.393 2.970 1.00 0.00 O ATOM 0 H SER A 77 -2.292 -12.130 5.813 1.00 0.00 H new ATOM 0 HA SER A 77 0.394 -13.085 5.742 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.188 -14.321 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.927 -12.879 3.799 1.00 0.00 H new ATOM 0 HG SER A 77 -0.522 -13.934 2.267 1.00 0.00 H new ATOM 1212 N ARG A 78 1.599 -11.633 3.985 1.00 0.00 N ATOM 1213 CA ARG A 78 2.433 -10.632 3.328 1.00 0.00 C ATOM 1214 C ARG A 78 2.037 -10.489 1.861 1.00 0.00 C ATOM 1215 O ARG A 78 1.729 -11.477 1.194 1.00 0.00 O ATOM 1216 CB ARG A 78 3.904 -11.049 3.416 1.00 0.00 C ATOM 1217 CG ARG A 78 4.786 -9.967 2.791 1.00 0.00 C ATOM 1218 CD ARG A 78 6.248 -10.416 2.822 1.00 0.00 C ATOM 1219 NE ARG A 78 6.446 -11.550 1.928 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.664 -11.372 0.629 1.00 0.00 C ATOM 1221 NH1 ARG A 78 6.996 -10.194 0.177 1.00 0.00 N ATOM 1222 NH2 ARG A 78 6.544 -12.377 -0.197 1.00 0.00 N ATOM 0 H ARG A 78 1.987 -12.576 3.974 1.00 0.00 H new ATOM 0 HA ARG A 78 2.290 -9.675 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.186 -11.205 4.457 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.054 -11.997 2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.475 -9.778 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.671 -9.030 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.896 -9.591 2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.530 -10.691 3.838 1.00 0.00 H new ATOM 0 HE ARG A 78 6.417 -12.497 2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.089 -9.408 0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.163 -10.059 -0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.283 -13.298 0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.711 -12.241 -1.194 1.00 0.00 H new ATOM 1236 N GLN A 79 2.058 -9.259 1.359 1.00 0.00 N ATOM 1237 CA GLN A 79 1.709 -9.010 -0.035 1.00 0.00 C ATOM 1238 C GLN A 79 2.648 -7.968 -0.632 1.00 0.00 C ATOM 1239 O GLN A 79 3.132 -7.081 0.073 1.00 0.00 O ATOM 1240 CB GLN A 79 0.261 -8.523 -0.138 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.678 -9.586 0.435 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.128 -9.201 0.161 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.596 -8.162 0.628 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.869 -9.978 -0.580 1.00 0.00 N ATOM 0 H GLN A 79 2.310 -8.426 1.891 1.00 0.00 H new ATOM 0 HA GLN A 79 1.810 -9.941 -0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.142 -7.586 0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.007 -8.322 -1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.460 -10.556 -0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.516 -9.686 1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.479 -10.838 -0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.838 -9.725 -0.774 1.00 0.00 H new ATOM 1253 N VAL A 80 2.915 -8.082 -1.930 1.00 0.00 N ATOM 1254 CA VAL A 80 3.813 -7.143 -2.592 1.00 0.00 C ATOM 1255 C VAL A 80 3.209 -6.604 -3.885 1.00 0.00 C ATOM 1256 O VAL A 80 2.796 -7.367 -4.757 1.00 0.00 O ATOM 1257 CB VAL A 80 5.140 -7.837 -2.909 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.095 -6.839 -3.566 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.765 -8.364 -1.615 1.00 0.00 C ATOM 0 H VAL A 80 2.528 -8.805 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 80 3.976 -6.304 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 80 4.959 -8.669 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.040 -7.334 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.652 -6.465 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.275 -6.006 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.710 -8.858 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.945 -7.533 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.086 -9.077 -1.147 1.00 0.00 H new ATOM 1269 N LEU A 81 3.191 -5.280 -4.011 1.00 0.00 N ATOM 1270 CA LEU A 81 2.670 -4.639 -5.213 1.00 0.00 C ATOM 1271 C LEU A 81 3.793 -3.863 -5.894 1.00 0.00 C ATOM 1272 O LEU A 81 4.502 -3.100 -5.243 1.00 0.00 O ATOM 1273 CB LEU A 81 1.532 -3.678 -4.857 1.00 0.00 C ATOM 1274 CG LEU A 81 0.524 -4.371 -3.933 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.535 -3.359 -3.492 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.160 -5.524 -4.675 1.00 0.00 C ATOM 0 H LEU A 81 3.530 -4.633 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 81 2.284 -5.406 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.935 -2.791 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.032 -3.342 -5.766 1.00 0.00 H new ATOM 0 HG LEU A 81 1.048 -4.765 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.254 -3.848 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.055 -2.539 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.052 -2.968 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.874 -6.011 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.683 -5.135 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.590 -6.248 -4.994 1.00 0.00 H new ATOM 1288 N SER A 82 3.967 -4.054 -7.196 1.00 0.00 N ATOM 1289 CA SER A 82 5.027 -3.342 -7.900 1.00 0.00 C ATOM 1290 C SER A 82 4.727 -3.176 -9.376 1.00 0.00 C ATOM 1291 O SER A 82 3.828 -3.813 -9.927 1.00 0.00 O ATOM 1292 CB SER A 82 6.359 -4.077 -7.749 1.00 0.00 C ATOM 1293 OG SER A 82 7.337 -3.445 -8.564 1.00 0.00 O ATOM 0 H SER A 82 3.405 -4.679 -7.774 1.00 0.00 H new ATOM 0 HA SER A 82 5.089 -2.352 -7.448 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.677 -4.068 -6.706 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.246 -5.122 -8.039 1.00 0.00 H new ATOM 0 HG SER A 82 7.535 -2.554 -8.206 1.00 0.00 H new ATOM 1299 N GLY A 83 5.513 -2.317 -10.004 1.00 0.00 N ATOM 1300 CA GLY A 83 5.366 -2.052 -11.433 1.00 0.00 C ATOM 1301 C GLY A 83 4.409 -0.894 -11.694 1.00 0.00 C ATOM 1302 O GLY A 83 3.466 -1.020 -12.476 1.00 0.00 O ATOM 0 H GLY A 83 6.260 -1.790 -9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.341 -1.823 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.999 -2.948 -11.934 1.00 0.00 H new ATOM 1306 N ILE A 84 4.666 0.230 -11.036 1.00 0.00 N ATOM 1307 CA ILE A 84 3.837 1.426 -11.189 1.00 0.00 C ATOM 1308 C ILE A 84 2.347 1.090 -11.203 1.00 0.00 C ATOM 1309 O ILE A 84 1.507 1.968 -11.403 1.00 0.00 O ATOM 1310 CB ILE A 84 4.216 2.154 -12.481 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.782 1.327 -13.698 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.731 2.337 -12.515 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.921 2.173 -14.965 1.00 0.00 C ATOM 0 H ILE A 84 5.445 0.341 -10.387 1.00 0.00 H new ATOM 0 HA ILE A 84 4.022 2.071 -10.330 1.00 0.00 H new ATOM 0 HB ILE A 84 3.716 3.122 -12.512 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.395 0.429 -13.778 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.750 0.999 -13.579 1.00 0.00 H new ATOM 0 HG21 ILE A 84 6.014 2.855 -13.431 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.046 2.926 -11.653 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.216 1.361 -12.485 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.613 1.586 -15.830 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.289 3.058 -14.883 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.960 2.479 -15.086 1.00 0.00 H new ATOM 1325 N ASP A 85 2.025 -0.176 -10.980 1.00 0.00 N ATOM 1326 CA ASP A 85 0.632 -0.605 -10.956 1.00 0.00 C ATOM 1327 C ASP A 85 0.146 -0.692 -9.515 1.00 0.00 C ATOM 1328 O ASP A 85 -0.939 -1.201 -9.238 1.00 0.00 O ATOM 1329 CB ASP A 85 0.491 -1.969 -11.637 1.00 0.00 C ATOM 1330 CG ASP A 85 1.232 -3.033 -10.833 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.587 -2.751 -9.701 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.435 -4.114 -11.363 1.00 0.00 O ATOM 0 H ASP A 85 2.703 -0.920 -10.814 1.00 0.00 H new ATOM 0 HA ASP A 85 0.026 0.123 -11.496 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.563 -2.235 -11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.891 -1.922 -12.650 1.00 0.00 H new ATOM 1337 N LEU A 86 0.973 -0.193 -8.605 1.00 0.00 N ATOM 1338 CA LEU A 86 0.651 -0.212 -7.187 1.00 0.00 C ATOM 1339 C LEU A 86 -0.742 0.356 -6.925 1.00 0.00 C ATOM 1340 O LEU A 86 -1.463 -0.135 -6.062 1.00 0.00 O ATOM 1341 CB LEU A 86 1.682 0.614 -6.413 1.00 0.00 C ATOM 1342 CG LEU A 86 3.098 0.168 -6.796 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.663 1.090 -7.882 1.00 0.00 C ATOM 1344 CD2 LEU A 86 4.004 0.225 -5.562 1.00 0.00 C ATOM 0 H LEU A 86 1.874 0.231 -8.826 1.00 0.00 H new ATOM 0 HA LEU A 86 0.671 -1.249 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.552 1.674 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.530 0.491 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 86 3.058 -0.853 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.669 0.765 -8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.024 1.048 -8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.699 2.113 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.011 -0.092 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.036 1.246 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.611 -0.438 -4.791 1.00 0.00 H new ATOM 1356 N THR A 87 -1.108 1.405 -7.653 1.00 0.00 N ATOM 1357 CA THR A 87 -2.407 2.038 -7.452 1.00 0.00 C ATOM 1358 C THR A 87 -3.556 1.080 -7.749 1.00 0.00 C ATOM 1359 O THR A 87 -4.516 1.002 -6.982 1.00 0.00 O ATOM 1360 CB THR A 87 -2.526 3.273 -8.347 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.560 2.866 -9.708 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.323 4.188 -8.118 1.00 0.00 C ATOM 0 H THR A 87 -0.532 1.831 -8.379 1.00 0.00 H new ATOM 0 HA THR A 87 -2.475 2.329 -6.404 1.00 0.00 H new ATOM 0 HB THR A 87 -3.442 3.812 -8.104 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.638 3.655 -10.284 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.408 5.068 -8.756 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.296 4.498 -7.074 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.406 3.651 -8.361 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.457 0.343 -8.848 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.502 -0.605 -9.196 1.00 0.00 C ATOM 1372 C ASP A 88 -4.447 -1.792 -8.247 1.00 0.00 C ATOM 1373 O ASP A 88 -5.472 -2.267 -7.755 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.306 -1.083 -10.633 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.546 0.069 -11.601 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -5.044 1.092 -11.161 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -4.226 -0.088 -12.767 1.00 0.00 O ATOM 0 H ASP A 88 -2.676 0.383 -9.503 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.474 -0.120 -9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.296 -1.473 -10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.993 -1.901 -10.850 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.232 -2.251 -7.987 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.012 -3.371 -7.086 1.00 0.00 C ATOM 1384 C GLN A 89 -3.369 -2.984 -5.649 1.00 0.00 C ATOM 1385 O GLN A 89 -3.993 -3.760 -4.925 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.547 -3.794 -7.178 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.447 -5.127 -7.925 1.00 0.00 C ATOM 1388 CD GLN A 89 0.016 -5.517 -8.112 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.888 -4.605 -8.449 1.00 0.00 O flip ATOM 1390 NE2 GLN A 89 0.375 -6.682 -7.946 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.379 -1.862 -8.390 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.653 -4.204 -7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.969 -3.030 -7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.122 -3.892 -6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.970 -5.905 -7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.936 -5.046 -8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.307 -7.393 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.355 -6.937 -8.072 1.00 0.00 H new ATOM 1399 N LEU A 90 -2.980 -1.774 -5.250 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.277 -1.284 -3.903 1.00 0.00 C ATOM 1401 C LEU A 90 -4.773 -1.390 -3.628 1.00 0.00 C ATOM 1402 O LEU A 90 -5.199 -2.006 -2.652 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.839 0.186 -3.792 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.136 0.747 -2.395 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -4.644 0.858 -2.160 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.530 -0.175 -1.346 1.00 0.00 C ATOM 0 H LEU A 90 -2.462 -1.118 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.737 -1.887 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.772 0.268 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.357 0.781 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.700 1.743 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.828 1.258 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.080 1.524 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.099 -0.129 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.738 0.219 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.966 -1.170 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.452 -0.235 -1.494 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.560 -0.775 -4.502 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.014 -0.785 -4.370 1.00 0.00 C ATOM 1420 C ALA A 91 -7.560 -2.209 -4.393 1.00 0.00 C ATOM 1421 O ALA A 91 -8.583 -2.499 -3.776 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.644 0.021 -5.507 1.00 0.00 C ATOM 0 H ALA A 91 -5.216 -0.261 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.269 -0.333 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.729 0.010 -5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.286 1.050 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.367 -0.421 -6.464 1.00 0.00 H new ATOM 1428 N ASN A 92 -6.876 -3.091 -5.112 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.304 -4.477 -5.211 1.00 0.00 C ATOM 1430 C ASN A 92 -6.977 -5.229 -3.931 1.00 0.00 C ATOM 1431 O ASN A 92 -7.730 -6.100 -3.496 1.00 0.00 O ATOM 1432 CB ASN A 92 -6.599 -5.147 -6.387 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.189 -4.649 -7.702 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -8.235 -3.869 -7.682 1.00 0.00 O flip ATOM 1435 ND2 ASN A 92 -6.685 -4.981 -8.775 1.00 0.00 N flip ATOM 0 H ASN A 92 -6.027 -2.871 -5.632 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.383 -4.499 -5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.531 -4.930 -6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.707 -6.229 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.867 -5.591 -8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.085 -4.646 -9.652 1.00 0.00 H new ATOM 1442 N GLN A 93 -5.840 -4.890 -3.338 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.404 -5.538 -2.114 1.00 0.00 C ATOM 1444 C GLN A 93 -6.173 -5.025 -0.901 1.00 0.00 C ATOM 1445 O GLN A 93 -6.347 -5.748 0.081 1.00 0.00 O ATOM 1446 CB GLN A 93 -3.915 -5.290 -1.891 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.098 -6.023 -2.945 1.00 0.00 C ATOM 1448 CD GLN A 93 -3.394 -7.512 -2.866 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.345 -8.100 -1.784 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -3.700 -8.164 -3.947 1.00 0.00 N ATOM 0 H GLN A 93 -5.206 -4.171 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.597 -6.605 -2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.706 -4.221 -1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.627 -5.629 -0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.341 -5.645 -3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.035 -5.843 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -3.740 -7.677 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.900 -9.163 -3.901 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.608 -3.772 -0.957 1.00 0.00 N ATOM 1460 CA LEU A 94 -7.329 -3.183 0.164 1.00 0.00 C ATOM 1461 C LEU A 94 -8.505 -4.064 0.602 1.00 0.00 C ATOM 1462 O LEU A 94 -8.562 -4.487 1.757 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.811 -1.775 -0.197 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.850 -1.314 0.823 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -8.260 -1.425 2.231 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -9.226 0.144 0.546 1.00 0.00 C ATOM 0 H LEU A 94 -6.476 -3.151 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.641 -3.113 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.969 -1.083 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.243 -1.773 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.739 -1.940 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.999 -1.097 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.988 -2.461 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.373 -0.796 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.968 0.473 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.337 0.770 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.641 0.228 -0.458 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.435 -4.359 -0.276 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.607 -5.215 0.066 1.00 0.00 C ATOM 1480 C PRO A 95 -10.185 -6.489 0.796 1.00 0.00 C ATOM 1481 O PRO A 95 -10.805 -6.892 1.779 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.233 -5.576 -1.289 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.391 -4.934 -2.350 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.488 -3.910 -1.669 1.00 0.00 C ATOM 0 HA PRO A 95 -11.295 -4.695 0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.263 -6.657 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.261 -5.219 -1.345 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.795 -5.683 -2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.020 -4.452 -3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.496 -3.889 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.895 -2.902 -1.749 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.127 -7.118 0.295 1.00 0.00 N ATOM 1493 CA GLN A 96 -8.623 -8.352 0.888 1.00 0.00 C ATOM 1494 C GLN A 96 -8.159 -8.120 2.321 1.00 0.00 C ATOM 1495 O GLN A 96 -8.289 -8.995 3.176 1.00 0.00 O ATOM 1496 CB GLN A 96 -7.455 -8.882 0.056 1.00 0.00 C ATOM 1497 CG GLN A 96 -7.942 -9.203 -1.356 1.00 0.00 C ATOM 1498 CD GLN A 96 -6.817 -9.846 -2.159 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -5.635 -9.970 -1.621 1.00 0.00 O flip ATOM 1500 NE2 GLN A 96 -7.020 -10.243 -3.307 1.00 0.00 N flip ATOM 0 H GLN A 96 -8.603 -6.795 -0.518 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.433 -9.082 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.656 -8.141 0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.039 -9.776 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.799 -9.876 -1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.278 -8.292 -1.850 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.945 -10.144 -3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.263 -10.670 -3.840 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.606 -6.941 2.572 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.113 -6.612 3.903 1.00 0.00 C ATOM 1511 C TRP A 97 -8.259 -6.537 4.908 1.00 0.00 C ATOM 1512 O TRP A 97 -8.162 -7.066 6.014 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.376 -5.274 3.855 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.311 -5.341 2.808 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -4.942 -6.463 2.146 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.478 -4.266 2.289 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.934 -6.145 1.253 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.611 -4.803 1.308 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -4.389 -2.892 2.570 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.688 -4.004 0.631 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -3.462 -2.086 1.890 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.614 -2.641 0.923 1.00 0.00 C ATOM 0 H TRP A 97 -7.488 -6.202 1.879 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.430 -7.398 4.225 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -7.074 -4.468 3.630 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.935 -5.052 4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.365 -7.446 2.291 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.485 -6.818 0.631 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -5.038 -2.453 3.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.036 -4.437 -0.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.402 -1.031 2.114 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.904 -2.015 0.404 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.345 -5.882 4.517 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.504 -5.754 5.389 1.00 0.00 C ATOM 1535 C LEU A 98 -11.308 -7.052 5.412 1.00 0.00 C ATOM 1536 O LEU A 98 -11.862 -7.437 6.442 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.389 -4.612 4.896 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.625 -3.292 4.990 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.450 -2.182 4.340 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -10.384 -2.951 6.462 1.00 0.00 C ATOM 0 H LEU A 98 -9.447 -5.434 3.607 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.158 -5.542 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.694 -4.794 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.299 -4.560 5.494 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.669 -3.385 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.907 -1.239 4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.627 -2.426 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.405 -2.088 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.839 -2.010 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.341 -2.856 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.800 -3.744 6.928 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.378 -7.706 4.259 1.00 0.00 N ATOM 1553 CA VAL A 99 -12.131 -8.954 4.127 1.00 0.00 C ATOM 1554 C VAL A 99 -11.539 -10.071 4.989 1.00 0.00 C ATOM 1555 O VAL A 99 -12.269 -10.789 5.672 1.00 0.00 O ATOM 1556 CB VAL A 99 -12.148 -9.379 2.656 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -12.725 -10.789 2.529 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -13.018 -8.406 1.857 1.00 0.00 C ATOM 0 H VAL A 99 -10.924 -7.396 3.400 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.148 -8.777 4.478 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.129 -9.369 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.734 -11.085 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.110 -11.486 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.743 -10.802 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.032 -8.706 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -14.034 -8.418 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.609 -7.399 1.940 1.00 0.00 H new ATOM 1568 N GLN A 100 -10.217 -10.207 4.955 1.00 0.00 N ATOM 1569 CA GLN A 100 -9.530 -11.238 5.740 1.00 0.00 C ATOM 1570 C GLN A 100 -10.468 -12.380 6.128 1.00 0.00 C ATOM 1571 O GLN A 100 -11.062 -12.365 7.207 1.00 0.00 O ATOM 1572 CB GLN A 100 -8.935 -10.619 7.005 1.00 0.00 C ATOM 1573 CG GLN A 100 -7.625 -9.913 6.656 1.00 0.00 C ATOM 1574 CD GLN A 100 -6.587 -10.937 6.213 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -6.304 -11.890 6.939 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -6.002 -10.798 5.056 1.00 0.00 N ATOM 0 H GLN A 100 -9.598 -9.620 4.396 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.737 -11.650 5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.638 -9.910 7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.757 -11.392 7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.794 -9.186 5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.258 -9.360 7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.239 -10.007 4.457 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.308 -11.480 4.750 1.00 0.00 H new ATOM 1585 N GLN A 101 -10.585 -13.374 5.250 1.00 0.00 N ATOM 1586 CA GLN A 101 -11.442 -14.526 5.518 1.00 0.00 C ATOM 1587 C GLN A 101 -10.609 -15.802 5.657 1.00 0.00 C ATOM 1588 O GLN A 101 -10.479 -16.353 6.751 1.00 0.00 O ATOM 1589 CB GLN A 101 -12.456 -14.694 4.385 1.00 0.00 C ATOM 1590 CG GLN A 101 -13.451 -13.532 4.416 1.00 0.00 C ATOM 1591 CD GLN A 101 -14.363 -13.595 3.195 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -14.074 -14.320 2.242 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -15.450 -12.874 3.164 1.00 0.00 N ATOM 0 H GLN A 101 -10.101 -13.405 4.353 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.969 -14.352 6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.943 -14.722 3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -12.984 -15.642 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -14.046 -13.576 5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.915 -12.583 4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.687 -12.274 3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.063 -12.910 2.349 1.00 0.00 H new ATOM 1602 N GLU A 102 -10.054 -16.264 4.540 1.00 0.00 N ATOM 1603 CA GLU A 102 -9.237 -17.475 4.538 1.00 0.00 C ATOM 1604 C GLU A 102 -7.904 -17.242 5.242 1.00 0.00 C ATOM 1605 O GLU A 102 -7.377 -16.129 5.247 1.00 0.00 O ATOM 1606 CB GLU A 102 -8.983 -17.931 3.101 1.00 0.00 C ATOM 1607 CG GLU A 102 -10.309 -18.326 2.447 1.00 0.00 C ATOM 1608 CD GLU A 102 -10.938 -19.489 3.207 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -10.228 -20.127 3.968 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -12.120 -19.725 3.018 1.00 0.00 O ATOM 0 H GLU A 102 -10.154 -15.820 3.627 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.782 -18.249 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.510 -17.130 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.296 -18.777 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.989 -17.474 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.142 -18.608 1.407 1.00 0.00 H new ATOM 1617 N GLY A 103 -7.364 -18.304 5.835 1.00 0.00 N ATOM 1618 CA GLY A 103 -6.090 -18.208 6.538 1.00 0.00 C ATOM 1619 C GLY A 103 -5.297 -19.507 6.423 1.00 0.00 C ATOM 1620 O GLY A 103 -4.800 -20.030 7.419 1.00 0.00 O ATOM 0 H GLY A 103 -7.785 -19.233 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.506 -17.385 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.268 -17.979 7.589 1.00 0.00 H new ATOM 1624 N ILE A 104 -5.179 -20.024 5.202 1.00 0.00 N ATOM 1625 CA ILE A 104 -4.437 -21.262 4.985 1.00 0.00 C ATOM 1626 C ILE A 104 -3.064 -20.962 4.394 1.00 0.00 C ATOM 1627 O ILE A 104 -2.919 -20.068 3.560 1.00 0.00 O ATOM 1628 CB ILE A 104 -5.220 -22.190 4.046 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -5.102 -21.699 2.598 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -6.693 -22.198 4.455 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -5.844 -22.665 1.672 1.00 0.00 C ATOM 0 H ILE A 104 -5.581 -19.612 4.360 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.304 -21.759 5.946 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.808 -23.197 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -5.521 -20.697 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -4.053 -21.634 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.252 -22.856 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.784 -22.556 5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -7.095 -21.187 4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -5.761 -22.318 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.405 -23.659 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.895 -22.707 1.957 1.00 0.00 H new ATOM 1643 N PHE A 105 -2.059 -21.712 4.833 1.00 0.00 N ATOM 1644 CA PHE A 105 -0.701 -21.514 4.341 1.00 0.00 C ATOM 1645 C PHE A 105 -0.437 -20.030 4.094 1.00 0.00 C ATOM 1646 O PHE A 105 -1.170 -19.219 4.637 1.00 0.00 O ATOM 1647 CB PHE A 105 -0.496 -22.298 3.044 1.00 0.00 C ATOM 1648 CG PHE A 105 0.880 -22.920 3.041 1.00 0.00 C ATOM 1649 CD1 PHE A 105 1.993 -22.160 2.662 1.00 0.00 C ATOM 1650 CD2 PHE A 105 1.043 -24.260 3.418 1.00 0.00 C ATOM 1651 CE1 PHE A 105 3.268 -22.737 2.661 1.00 0.00 C ATOM 1652 CE2 PHE A 105 2.319 -24.837 3.416 1.00 0.00 C ATOM 1653 CZ PHE A 105 3.431 -24.076 3.037 1.00 0.00 C ATOM 1654 OXT PHE A 105 0.492 -19.726 3.365 1.00 0.00 O ATOM 0 H PHE A 105 -2.158 -22.457 5.523 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.001 -21.876 5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.257 -23.073 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -0.609 -21.636 2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.868 -21.128 2.370 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.185 -24.847 3.710 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.126 -22.150 2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.445 -25.869 3.707 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.415 -24.522 3.035 1.00 0.00 H new TER 1664 PHE A 105