USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 711 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 19 TYR OH : rot 15:sc= 1.3 USER MOD Set 1.2: A 51 CYS SG : rot 57:sc= 1.03 USER MOD Set 2.1: A 25 MET CE :methyl 149:sc= -1.32 (180deg=-2.49) USER MOD Set 2.2: A 45 MET CE :methyl -129:sc= -5.33! (180deg=-8.04!) USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 55 THR OG1 : rot -172:sc= -0.97 USER MOD Set 4.1: A 16 ASN : amide:sc= 0.0591 K(o=0.015,f=-5.5!) USER MOD Set 4.2: A 87 GLN : amide:sc= -0.0442 K(o=0.015,f=-6.3!) 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 6 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot -7:sc= 0.157 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 70 ASN : amide:sc= -0.105 K(o=-0.1,f=-0.66) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00375) USER MOD Single : A 82 ASN :FLIP amide:sc= -3.18! C(o=-4.8!,f=-3.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 37:sc= 0.707 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.155 33.278 -11.654 1.00 0.00 N ATOM 2 CA GLY A 1 -20.146 33.390 -10.207 1.00 0.00 C ATOM 3 C GLY A 1 -19.836 32.072 -9.526 1.00 0.00 C ATOM 4 O GLY A 1 -18.748 31.888 -8.980 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.372 34.205 -12.073 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.222 32.959 -11.983 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.878 32.590 -11.944 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.407 34.133 -9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.117 33.751 -9.867 1.00 0.00 H new ATOM 8 N SER A 2 -20.795 31.152 -9.555 1.00 0.00 N ATOM 9 CA SER A 2 -20.621 29.846 -8.931 1.00 0.00 C ATOM 10 C SER A 2 -20.722 28.731 -9.967 1.00 0.00 C ATOM 11 O SER A 2 -21.767 28.097 -10.114 1.00 0.00 O ATOM 12 CB SER A 2 -21.670 29.637 -7.837 1.00 0.00 C ATOM 13 OG SER A 2 -21.381 30.427 -6.696 1.00 0.00 O ATOM 0 H SER A 2 -21.701 31.287 -10.004 1.00 0.00 H new ATOM 0 HA SER A 2 -19.628 29.814 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.657 29.895 -8.221 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.702 28.584 -7.556 1.00 0.00 H new ATOM 0 HG SER A 2 -22.067 30.277 -6.012 1.00 0.00 H new ATOM 19 N SER A 3 -19.627 28.497 -10.684 1.00 0.00 N ATOM 20 CA SER A 3 -19.591 27.461 -11.709 1.00 0.00 C ATOM 21 C SER A 3 -18.708 26.296 -11.274 1.00 0.00 C ATOM 22 O SER A 3 -17.492 26.320 -11.462 1.00 0.00 O ATOM 23 CB SER A 3 -19.079 28.039 -13.030 1.00 0.00 C ATOM 24 OG SER A 3 -19.108 27.065 -14.059 1.00 0.00 O ATOM 0 H SER A 3 -18.753 29.011 -10.574 1.00 0.00 H new ATOM 0 HA SER A 3 -20.606 27.090 -11.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.691 28.894 -13.317 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.060 28.405 -12.900 1.00 0.00 H new ATOM 0 HG SER A 3 -18.777 27.460 -14.893 1.00 0.00 H new ATOM 30 N GLY A 4 -19.330 25.276 -10.691 1.00 0.00 N ATOM 31 CA GLY A 4 -18.586 24.115 -10.238 1.00 0.00 C ATOM 32 C GLY A 4 -18.750 23.866 -8.751 1.00 0.00 C ATOM 33 O GLY A 4 -19.376 24.658 -8.047 1.00 0.00 O ATOM 0 H GLY A 4 -20.335 25.233 -10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.919 23.236 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.529 24.253 -10.466 1.00 0.00 H new ATOM 37 N SER A 5 -18.187 22.761 -8.273 1.00 0.00 N ATOM 38 CA SER A 5 -18.278 22.406 -6.861 1.00 0.00 C ATOM 39 C SER A 5 -16.893 22.146 -6.276 1.00 0.00 C ATOM 40 O SER A 5 -16.196 21.220 -6.690 1.00 0.00 O ATOM 41 CB SER A 5 -19.161 21.171 -6.680 1.00 0.00 C ATOM 42 OG SER A 5 -20.499 21.439 -7.063 1.00 0.00 O ATOM 0 H SER A 5 -17.663 22.096 -8.842 1.00 0.00 H new ATOM 0 HA SER A 5 -18.726 23.245 -6.329 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.767 20.348 -7.276 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.135 20.851 -5.638 1.00 0.00 H new ATOM 0 HG SER A 5 -21.042 20.633 -6.939 1.00 0.00 H new ATOM 48 N SER A 6 -16.502 22.970 -5.309 1.00 0.00 N ATOM 49 CA SER A 6 -15.199 22.833 -4.668 1.00 0.00 C ATOM 50 C SER A 6 -15.097 23.740 -3.446 1.00 0.00 C ATOM 51 O SER A 6 -16.023 24.487 -3.134 1.00 0.00 O ATOM 52 CB SER A 6 -14.082 23.165 -5.659 1.00 0.00 C ATOM 53 OG SER A 6 -12.838 22.650 -5.217 1.00 0.00 O ATOM 0 H SER A 6 -17.069 23.739 -4.952 1.00 0.00 H new ATOM 0 HA SER A 6 -15.089 21.799 -4.341 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.324 22.750 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.009 24.246 -5.781 1.00 0.00 H new ATOM 0 HG SER A 6 -12.141 22.874 -5.869 1.00 0.00 H new ATOM 59 N GLY A 7 -13.962 23.668 -2.757 1.00 0.00 N ATOM 60 CA GLY A 7 -13.758 24.487 -1.576 1.00 0.00 C ATOM 61 C GLY A 7 -12.304 24.867 -1.378 1.00 0.00 C ATOM 62 O GLY A 7 -11.601 25.176 -2.340 1.00 0.00 O ATOM 0 H GLY A 7 -13.180 23.057 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.359 25.393 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.112 23.947 -0.698 1.00 0.00 H new ATOM 66 N GLU A 8 -11.853 24.846 -0.128 1.00 0.00 N ATOM 67 CA GLU A 8 -10.473 25.194 0.192 1.00 0.00 C ATOM 68 C GLU A 8 -9.497 24.327 -0.597 1.00 0.00 C ATOM 69 O GLU A 8 -9.384 23.125 -0.357 1.00 0.00 O ATOM 70 CB GLU A 8 -10.218 25.033 1.692 1.00 0.00 C ATOM 71 CG GLU A 8 -11.010 26.005 2.551 1.00 0.00 C ATOM 72 CD GLU A 8 -12.473 25.623 2.666 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.764 24.415 2.785 1.00 0.00 O ATOM 74 OE2 GLU A 8 -13.327 26.534 2.637 1.00 0.00 O ATOM 0 H GLU A 8 -12.422 24.592 0.679 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.314 26.236 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.467 24.014 1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.155 25.171 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.570 26.046 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.932 27.006 2.127 1.00 0.00 H new ATOM 81 N ARG A 9 -8.794 24.946 -1.540 1.00 0.00 N ATOM 82 CA ARG A 9 -7.828 24.231 -2.366 1.00 0.00 C ATOM 83 C ARG A 9 -6.949 23.323 -1.512 1.00 0.00 C ATOM 84 O ARG A 9 -6.381 23.757 -0.509 1.00 0.00 O ATOM 85 CB ARG A 9 -6.957 25.221 -3.141 1.00 0.00 C ATOM 86 CG ARG A 9 -7.621 25.764 -4.396 1.00 0.00 C ATOM 87 CD ARG A 9 -7.962 24.650 -5.373 1.00 0.00 C ATOM 88 NE ARG A 9 -8.258 25.164 -6.708 1.00 0.00 N ATOM 89 CZ ARG A 9 -7.328 25.603 -7.549 1.00 0.00 C ATOM 90 NH1 ARG A 9 -6.050 25.589 -7.197 1.00 0.00 N ATOM 91 NH2 ARG A 9 -7.676 26.055 -8.747 1.00 0.00 N ATOM 0 H ARG A 9 -8.875 25.941 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.380 23.612 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.699 26.054 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.023 24.731 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.529 26.302 -4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.958 26.482 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.128 23.951 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.821 24.092 -5.001 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.232 25.187 -7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.778 25.240 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.339 25.927 -7.845 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.658 26.066 -9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.962 26.392 -9.392 1.00 0.00 H new ATOM 105 N ARG A 10 -6.841 22.061 -1.915 1.00 0.00 N ATOM 106 CA ARG A 10 -6.033 21.092 -1.186 1.00 0.00 C ATOM 107 C ARG A 10 -4.630 20.999 -1.778 1.00 0.00 C ATOM 108 O ARG A 10 -4.358 21.549 -2.845 1.00 0.00 O ATOM 109 CB ARG A 10 -6.701 19.716 -1.212 1.00 0.00 C ATOM 110 CG ARG A 10 -8.134 19.725 -0.705 1.00 0.00 C ATOM 111 CD ARG A 10 -8.188 19.708 0.814 1.00 0.00 C ATOM 112 NE ARG A 10 -7.945 21.030 1.386 1.00 0.00 N ATOM 113 CZ ARG A 10 -8.032 21.296 2.684 1.00 0.00 C ATOM 114 NH1 ARG A 10 -8.353 20.337 3.541 1.00 0.00 N ATOM 115 NH2 ARG A 10 -7.796 22.524 3.128 1.00 0.00 N ATOM 0 H ARG A 10 -7.304 21.686 -2.743 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.951 21.429 -0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.688 19.334 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.115 19.025 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.648 20.611 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.666 18.859 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.164 19.347 1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.446 19.006 1.195 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.695 21.790 0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.534 19.391 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.419 20.545 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.548 23.265 2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.863 22.727 4.125 1.00 0.00 H new ATOM 129 N ALA A 11 -3.743 20.299 -1.078 1.00 0.00 N ATOM 130 CA ALA A 11 -2.369 20.133 -1.535 1.00 0.00 C ATOM 131 C ALA A 11 -2.147 18.739 -2.112 1.00 0.00 C ATOM 132 O ALA A 11 -2.696 17.748 -1.632 1.00 0.00 O ATOM 133 CB ALA A 11 -1.397 20.395 -0.394 1.00 0.00 C ATOM 0 H ALA A 11 -3.952 19.838 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.186 20.859 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.375 20.267 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.530 21.414 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.589 19.692 0.416 1.00 0.00 H new ATOM 139 N PRO A 12 -1.322 18.659 -3.167 1.00 0.00 N ATOM 140 CA PRO A 12 -1.009 17.391 -3.832 1.00 0.00 C ATOM 141 C PRO A 12 -0.148 16.479 -2.966 1.00 0.00 C ATOM 142 O PRO A 12 1.012 16.786 -2.687 1.00 0.00 O ATOM 143 CB PRO A 12 -0.239 17.826 -5.082 1.00 0.00 C ATOM 144 CG PRO A 12 0.352 19.145 -4.722 1.00 0.00 C ATOM 145 CD PRO A 12 -0.632 19.800 -3.792 1.00 0.00 C ATOM 0 HA PRO A 12 -1.907 16.812 -4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.534 17.103 -5.342 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.900 17.910 -5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.321 19.020 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.515 19.755 -5.610 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.131 20.422 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.327 20.444 -4.331 1.00 0.00 H new ATOM 153 N ARG A 13 -0.721 15.357 -2.543 1.00 0.00 N ATOM 154 CA ARG A 13 -0.004 14.401 -1.708 1.00 0.00 C ATOM 155 C ARG A 13 1.126 13.736 -2.488 1.00 0.00 C ATOM 156 O ARG A 13 1.161 13.789 -3.718 1.00 0.00 O ATOM 157 CB ARG A 13 -0.965 13.336 -1.175 1.00 0.00 C ATOM 158 CG ARG A 13 -1.833 13.820 -0.024 1.00 0.00 C ATOM 159 CD ARG A 13 -3.003 14.654 -0.521 1.00 0.00 C ATOM 160 NE ARG A 13 -4.096 14.695 0.447 1.00 0.00 N ATOM 161 CZ ARG A 13 -4.026 15.334 1.609 1.00 0.00 C ATOM 162 NH1 ARG A 13 -2.920 15.983 1.946 1.00 0.00 N ATOM 163 NH2 ARG A 13 -5.063 15.325 2.437 1.00 0.00 N ATOM 0 H ARG A 13 -1.680 15.088 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 13 0.429 14.944 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.609 13.000 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.389 12.471 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.208 12.963 0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.230 14.412 0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.663 15.669 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.368 14.243 -1.462 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.961 14.206 0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.121 15.992 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.868 16.473 2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.915 14.827 2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.008 15.816 3.329 1.00 0.00 H new ATOM 177 N LYS A 14 2.048 13.109 -1.766 1.00 0.00 N ATOM 178 CA LYS A 14 3.179 12.433 -2.389 1.00 0.00 C ATOM 179 C LYS A 14 3.829 11.452 -1.418 1.00 0.00 C ATOM 180 O LYS A 14 3.835 11.674 -0.208 1.00 0.00 O ATOM 181 CB LYS A 14 4.213 13.456 -2.865 1.00 0.00 C ATOM 182 CG LYS A 14 4.824 14.272 -1.739 1.00 0.00 C ATOM 183 CD LYS A 14 3.978 15.492 -1.412 1.00 0.00 C ATOM 184 CE LYS A 14 4.427 16.149 -0.116 1.00 0.00 C ATOM 185 NZ LYS A 14 3.936 17.551 -0.006 1.00 0.00 N ATOM 0 H LYS A 14 2.034 13.055 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 14 2.807 11.875 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.008 12.935 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.741 14.132 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.925 13.649 -0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.828 14.589 -2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.044 16.212 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.931 15.199 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.061 15.569 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.516 16.140 -0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.263 17.964 0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.305 18.111 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.896 17.558 -0.031 1.00 0.00 H new ATOM 199 N GLY A 15 4.378 10.368 -1.957 1.00 0.00 N ATOM 200 CA GLY A 15 5.024 9.371 -1.124 1.00 0.00 C ATOM 201 C GLY A 15 5.719 8.297 -1.937 1.00 0.00 C ATOM 202 O GLY A 15 5.278 7.957 -3.034 1.00 0.00 O ATOM 0 H GLY A 15 4.387 10.162 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.752 9.860 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.281 8.907 -0.475 1.00 0.00 H new ATOM 206 N ASN A 16 6.812 7.764 -1.400 1.00 0.00 N ATOM 207 CA ASN A 16 7.571 6.724 -2.085 1.00 0.00 C ATOM 208 C ASN A 16 7.388 5.375 -1.398 1.00 0.00 C ATOM 209 O ASN A 16 7.330 4.334 -2.053 1.00 0.00 O ATOM 210 CB ASN A 16 9.056 7.091 -2.126 1.00 0.00 C ATOM 211 CG ASN A 16 9.666 7.189 -0.741 1.00 0.00 C ATOM 212 OD1 ASN A 16 9.077 7.775 0.169 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.851 6.614 -0.574 1.00 0.00 N ATOM 0 H ASN A 16 7.192 8.035 -0.493 1.00 0.00 H new ATOM 0 HA ASN A 16 7.194 6.646 -3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.596 6.343 -2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.178 8.043 -2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.310 6.647 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.302 6.139 -1.356 1.00 0.00 H new ATOM 220 N THR A 17 7.297 5.400 -0.071 1.00 0.00 N ATOM 221 CA THR A 17 7.121 4.179 0.706 1.00 0.00 C ATOM 222 C THR A 17 5.647 3.808 0.820 1.00 0.00 C ATOM 223 O THR A 17 4.770 4.665 0.709 1.00 0.00 O ATOM 224 CB THR A 17 7.713 4.323 2.120 1.00 0.00 C ATOM 225 OG1 THR A 17 9.001 4.945 2.051 1.00 0.00 O ATOM 226 CG2 THR A 17 7.836 2.966 2.797 1.00 0.00 C ATOM 0 H THR A 17 7.342 6.252 0.487 1.00 0.00 H new ATOM 0 HA THR A 17 7.652 3.388 0.177 1.00 0.00 H new ATOM 0 HB THR A 17 7.040 4.946 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.370 5.034 2.955 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.257 3.094 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.850 2.508 2.875 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.490 2.323 2.207 1.00 0.00 H new ATOM 234 N LEU A 18 5.380 2.526 1.043 1.00 0.00 N ATOM 235 CA LEU A 18 4.011 2.040 1.173 1.00 0.00 C ATOM 236 C LEU A 18 3.906 0.997 2.281 1.00 0.00 C ATOM 237 O LEU A 18 4.653 0.018 2.298 1.00 0.00 O ATOM 238 CB LEU A 18 3.532 1.445 -0.152 1.00 0.00 C ATOM 239 CG LEU A 18 3.795 2.286 -1.401 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.730 1.422 -2.651 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.800 3.434 -1.491 1.00 0.00 C ATOM 0 H LEU A 18 6.094 1.804 1.138 1.00 0.00 H new ATOM 0 HA LEU A 18 3.375 2.885 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.010 0.474 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.459 1.265 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 18 4.798 2.706 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.920 2.038 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.483 0.636 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.741 0.971 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.003 4.022 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.787 3.035 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.897 4.069 -0.610 1.00 0.00 H new ATOM 253 N TYR A 19 2.974 1.212 3.202 1.00 0.00 N ATOM 254 CA TYR A 19 2.771 0.290 4.314 1.00 0.00 C ATOM 255 C TYR A 19 1.836 -0.848 3.914 1.00 0.00 C ATOM 256 O TYR A 19 0.644 -0.638 3.691 1.00 0.00 O ATOM 257 CB TYR A 19 2.200 1.033 5.523 1.00 0.00 C ATOM 258 CG TYR A 19 2.143 0.193 6.778 1.00 0.00 C ATOM 259 CD1 TYR A 19 1.133 -0.743 6.966 1.00 0.00 C ATOM 260 CD2 TYR A 19 3.099 0.334 7.777 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.076 -1.513 8.112 1.00 0.00 C ATOM 262 CE2 TYR A 19 3.050 -0.432 8.925 1.00 0.00 C ATOM 263 CZ TYR A 19 2.037 -1.353 9.088 1.00 0.00 C ATOM 264 OH TYR A 19 1.985 -2.119 10.231 1.00 0.00 O ATOM 0 H TYR A 19 2.347 2.016 3.201 1.00 0.00 H new ATOM 0 HA TYR A 19 3.738 -0.135 4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.807 1.918 5.715 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.195 1.382 5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.379 -0.871 6.203 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.894 1.055 7.653 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.284 -2.235 8.242 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.801 -0.310 9.691 1.00 0.00 H new ATOM 0 HH TYR A 19 1.371 -2.870 10.094 1.00 0.00 H new ATOM 274 N VAL A 20 2.386 -2.055 3.827 1.00 0.00 N ATOM 275 CA VAL A 20 1.603 -3.227 3.457 1.00 0.00 C ATOM 276 C VAL A 20 1.272 -4.075 4.680 1.00 0.00 C ATOM 277 O VAL A 20 2.019 -4.092 5.658 1.00 0.00 O ATOM 278 CB VAL A 20 2.349 -4.098 2.429 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.473 -5.257 1.975 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.792 -3.258 1.241 1.00 0.00 C ATOM 0 H VAL A 20 3.371 -2.246 4.008 1.00 0.00 H new ATOM 0 HA VAL A 20 0.678 -2.862 3.010 1.00 0.00 H new ATOM 0 HB VAL A 20 3.238 -4.510 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.017 -5.861 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.210 -5.873 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.564 -4.868 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.317 -3.890 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.918 -2.816 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.458 -2.466 1.584 1.00 0.00 H new ATOM 290 N TYR A 21 0.147 -4.779 4.617 1.00 0.00 N ATOM 291 CA TYR A 21 -0.285 -5.628 5.721 1.00 0.00 C ATOM 292 C TYR A 21 -0.720 -7.000 5.214 1.00 0.00 C ATOM 293 O TYR A 21 -1.280 -7.124 4.125 1.00 0.00 O ATOM 294 CB TYR A 21 -1.435 -4.966 6.482 1.00 0.00 C ATOM 295 CG TYR A 21 -2.108 -5.882 7.479 1.00 0.00 C ATOM 296 CD1 TYR A 21 -1.360 -6.673 8.342 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.493 -5.955 7.559 1.00 0.00 C ATOM 298 CE1 TYR A 21 -1.971 -7.512 9.253 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.113 -6.790 8.468 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.348 -7.567 9.313 1.00 0.00 C ATOM 301 OH TYR A 21 -3.961 -8.400 10.220 1.00 0.00 O ATOM 0 H TYR A 21 -0.482 -4.779 3.814 1.00 0.00 H new ATOM 0 HA TYR A 21 0.560 -5.760 6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.055 -4.089 7.006 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.178 -4.613 5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.282 -6.631 8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.095 -5.348 6.899 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.374 -8.122 9.915 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.191 -6.834 8.517 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.934 -8.319 10.133 1.00 0.00 H new ATOM 311 N GLY A 22 -0.459 -8.030 6.014 1.00 0.00 N ATOM 312 CA GLY A 22 -0.830 -9.379 5.631 1.00 0.00 C ATOM 313 C GLY A 22 -0.783 -10.347 6.797 1.00 0.00 C ATOM 314 O GLY A 22 -0.458 -9.960 7.919 1.00 0.00 O ATOM 0 H GLY A 22 0.003 -7.954 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.836 -9.370 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.159 -9.728 4.846 1.00 0.00 H new ATOM 318 N GLU A 23 -1.109 -11.608 6.532 1.00 0.00 N ATOM 319 CA GLU A 23 -1.105 -12.632 7.570 1.00 0.00 C ATOM 320 C GLU A 23 -0.397 -13.894 7.085 1.00 0.00 C ATOM 321 O GLU A 23 0.343 -14.531 7.836 1.00 0.00 O ATOM 322 CB GLU A 23 -2.536 -12.967 7.993 1.00 0.00 C ATOM 323 CG GLU A 23 -3.285 -11.790 8.595 1.00 0.00 C ATOM 324 CD GLU A 23 -4.411 -12.222 9.513 1.00 0.00 C ATOM 325 OE1 GLU A 23 -5.100 -13.210 9.182 1.00 0.00 O ATOM 326 OE2 GLU A 23 -4.604 -11.573 10.562 1.00 0.00 O ATOM 0 H GLU A 23 -1.379 -11.945 5.608 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.563 -12.239 8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.086 -13.331 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.510 -13.780 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.586 -11.166 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.692 -11.174 7.793 1.00 0.00 H new ATOM 333 N ASP A 24 -0.630 -14.250 5.827 1.00 0.00 N ATOM 334 CA ASP A 24 -0.016 -15.435 5.241 1.00 0.00 C ATOM 335 C ASP A 24 0.752 -15.079 3.971 1.00 0.00 C ATOM 336 O ASP A 24 0.700 -15.804 2.979 1.00 0.00 O ATOM 337 CB ASP A 24 -1.081 -16.487 4.929 1.00 0.00 C ATOM 338 CG ASP A 24 -2.041 -16.699 6.083 1.00 0.00 C ATOM 339 OD1 ASP A 24 -2.784 -15.753 6.418 1.00 0.00 O ATOM 340 OD2 ASP A 24 -2.048 -17.811 6.653 1.00 0.00 O ATOM 0 H ASP A 24 -1.240 -13.734 5.193 1.00 0.00 H new ATOM 0 HA ASP A 24 0.687 -15.845 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.641 -16.181 4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.594 -17.432 4.687 1.00 0.00 H new ATOM 345 N MET A 25 1.462 -13.956 4.011 1.00 0.00 N ATOM 346 CA MET A 25 2.240 -13.504 2.864 1.00 0.00 C ATOM 347 C MET A 25 3.731 -13.506 3.183 1.00 0.00 C ATOM 348 O MET A 25 4.128 -13.451 4.348 1.00 0.00 O ATOM 349 CB MET A 25 1.799 -12.100 2.443 1.00 0.00 C ATOM 350 CG MET A 25 1.283 -11.254 3.595 1.00 0.00 C ATOM 351 SD MET A 25 2.569 -10.854 4.794 1.00 0.00 S ATOM 352 CE MET A 25 2.553 -9.065 4.723 1.00 0.00 C ATOM 0 H MET A 25 1.514 -13.343 4.825 1.00 0.00 H new ATOM 0 HA MET A 25 2.062 -14.196 2.041 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.641 -11.589 1.976 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.018 -12.185 1.687 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.859 -10.330 3.201 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.476 -11.786 4.098 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.828 -8.660 5.697 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.267 -8.724 3.973 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.554 -8.720 4.456 1.00 0.00 H new ATOM 362 N THR A 26 4.555 -13.570 2.142 1.00 0.00 N ATOM 363 CA THR A 26 6.003 -13.581 2.312 1.00 0.00 C ATOM 364 C THR A 26 6.671 -12.560 1.398 1.00 0.00 C ATOM 365 O THR A 26 6.133 -12.174 0.360 1.00 0.00 O ATOM 366 CB THR A 26 6.592 -14.975 2.023 1.00 0.00 C ATOM 367 OG1 THR A 26 6.208 -15.407 0.713 1.00 0.00 O ATOM 368 CG2 THR A 26 6.118 -15.987 3.055 1.00 0.00 C ATOM 0 H THR A 26 4.244 -13.615 1.172 1.00 0.00 H new ATOM 0 HA THR A 26 6.202 -13.319 3.351 1.00 0.00 H new ATOM 0 HB THR A 26 7.678 -14.905 2.078 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.588 -16.293 0.536 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.547 -16.964 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.437 -15.670 4.048 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.030 -16.053 3.027 1.00 0.00 H new ATOM 376 N PRO A 27 7.873 -12.112 1.790 1.00 0.00 N ATOM 377 CA PRO A 27 8.642 -11.130 1.019 1.00 0.00 C ATOM 378 C PRO A 27 8.721 -11.489 -0.461 1.00 0.00 C ATOM 379 O PRO A 27 8.321 -10.705 -1.323 1.00 0.00 O ATOM 380 CB PRO A 27 10.032 -11.187 1.657 1.00 0.00 C ATOM 381 CG PRO A 27 9.789 -11.653 3.051 1.00 0.00 C ATOM 382 CD PRO A 27 8.574 -12.529 3.015 1.00 0.00 C ATOM 0 HA PRO A 27 8.185 -10.141 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.687 -11.872 1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.514 -10.209 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.650 -12.204 3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.634 -10.806 3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.843 -13.585 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.953 -12.387 3.899 1.00 0.00 H new ATOM 390 N THR A 28 9.238 -12.679 -0.751 1.00 0.00 N ATOM 391 CA THR A 28 9.370 -13.141 -2.127 1.00 0.00 C ATOM 392 C THR A 28 8.084 -12.906 -2.911 1.00 0.00 C ATOM 393 O THR A 28 8.119 -12.624 -4.109 1.00 0.00 O ATOM 394 CB THR A 28 9.727 -14.638 -2.185 1.00 0.00 C ATOM 395 OG1 THR A 28 11.020 -14.856 -1.609 1.00 0.00 O ATOM 396 CG2 THR A 28 9.714 -15.142 -3.620 1.00 0.00 C ATOM 0 H THR A 28 9.572 -13.341 -0.050 1.00 0.00 H new ATOM 0 HA THR A 28 10.178 -12.565 -2.578 1.00 0.00 H new ATOM 0 HB THR A 28 8.979 -15.190 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.239 -15.810 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.969 -16.202 -3.636 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.721 -15.002 -4.046 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.443 -14.585 -4.208 1.00 0.00 H new ATOM 404 N LEU A 29 6.951 -13.024 -2.229 1.00 0.00 N ATOM 405 CA LEU A 29 5.652 -12.823 -2.862 1.00 0.00 C ATOM 406 C LEU A 29 5.440 -11.355 -3.215 1.00 0.00 C ATOM 407 O LEU A 29 5.081 -11.023 -4.346 1.00 0.00 O ATOM 408 CB LEU A 29 4.532 -13.305 -1.938 1.00 0.00 C ATOM 409 CG LEU A 29 3.191 -13.604 -2.608 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.343 -14.507 -1.726 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.450 -12.312 -2.920 1.00 0.00 C ATOM 0 H LEU A 29 6.905 -13.258 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 29 5.630 -13.406 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.871 -14.208 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.371 -12.548 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 29 3.384 -14.124 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.392 -14.709 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.869 -15.446 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.159 -14.014 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.498 -12.545 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.269 -11.764 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.052 -11.700 -3.592 1.00 0.00 H new ATOM 423 N LEU A 30 5.664 -10.479 -2.242 1.00 0.00 N ATOM 424 CA LEU A 30 5.500 -9.045 -2.450 1.00 0.00 C ATOM 425 C LEU A 30 6.418 -8.547 -3.562 1.00 0.00 C ATOM 426 O LEU A 30 6.128 -7.548 -4.220 1.00 0.00 O ATOM 427 CB LEU A 30 5.789 -8.285 -1.155 1.00 0.00 C ATOM 428 CG LEU A 30 5.262 -8.924 0.131 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.505 -8.008 1.320 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.781 -9.247 -0.003 1.00 0.00 C ATOM 0 H LEU A 30 5.960 -10.737 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 30 4.468 -8.862 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.868 -8.165 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.363 -7.285 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 30 5.803 -9.855 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.124 -8.479 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.575 -7.827 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.991 -7.060 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.423 -9.701 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.225 -8.330 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.634 -9.942 -0.830 1.00 0.00 H new ATOM 442 N ARG A 31 7.527 -9.251 -3.766 1.00 0.00 N ATOM 443 CA ARG A 31 8.487 -8.881 -4.798 1.00 0.00 C ATOM 444 C ARG A 31 7.860 -8.982 -6.186 1.00 0.00 C ATOM 445 O ARG A 31 8.045 -8.103 -7.027 1.00 0.00 O ATOM 446 CB ARG A 31 9.724 -9.779 -4.719 1.00 0.00 C ATOM 447 CG ARG A 31 10.576 -9.535 -3.484 1.00 0.00 C ATOM 448 CD ARG A 31 11.930 -10.217 -3.599 1.00 0.00 C ATOM 449 NE ARG A 31 12.815 -9.864 -2.491 1.00 0.00 N ATOM 450 CZ ARG A 31 14.042 -10.354 -2.347 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.526 -11.211 -3.235 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.787 -9.985 -1.312 1.00 0.00 N ATOM 0 H ARG A 31 7.782 -10.080 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 31 8.785 -7.847 -4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.407 -10.822 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.334 -9.621 -5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.718 -8.463 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.054 -9.905 -2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.791 -11.298 -3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.399 -9.936 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 31 12.473 -9.206 -1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.956 -11.496 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.468 -11.585 -3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.418 -9.325 -0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.729 -10.361 -1.202 1.00 0.00 H new ATOM 466 N GLY A 32 7.118 -10.061 -6.418 1.00 0.00 N ATOM 467 CA GLY A 32 6.476 -10.257 -7.704 1.00 0.00 C ATOM 468 C GLY A 32 5.077 -9.675 -7.749 1.00 0.00 C ATOM 469 O GLY A 32 4.432 -9.672 -8.796 1.00 0.00 O ATOM 0 H GLY A 32 6.950 -10.803 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.083 -9.796 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.430 -11.323 -7.925 1.00 0.00 H new ATOM 473 N ALA A 33 4.607 -9.181 -6.608 1.00 0.00 N ATOM 474 CA ALA A 33 3.276 -8.594 -6.521 1.00 0.00 C ATOM 475 C ALA A 33 3.337 -7.075 -6.649 1.00 0.00 C ATOM 476 O ALA A 33 2.444 -6.455 -7.226 1.00 0.00 O ATOM 477 CB ALA A 33 2.609 -8.989 -5.212 1.00 0.00 C ATOM 0 H ALA A 33 5.129 -9.176 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 33 2.681 -8.979 -7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.616 -8.543 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.523 -10.074 -5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.210 -8.633 -4.375 1.00 0.00 H new ATOM 483 N PHE A 34 4.394 -6.483 -6.105 1.00 0.00 N ATOM 484 CA PHE A 34 4.571 -5.036 -6.157 1.00 0.00 C ATOM 485 C PHE A 34 5.417 -4.634 -7.361 1.00 0.00 C ATOM 486 O PHE A 34 5.371 -3.489 -7.812 1.00 0.00 O ATOM 487 CB PHE A 34 5.226 -4.534 -4.869 1.00 0.00 C ATOM 488 CG PHE A 34 4.288 -4.493 -3.696 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.921 -5.660 -3.044 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.774 -3.288 -3.245 1.00 0.00 C ATOM 491 CE1 PHE A 34 3.058 -5.625 -1.966 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.911 -3.247 -2.166 1.00 0.00 C ATOM 493 CZ PHE A 34 2.553 -4.417 -1.525 1.00 0.00 C ATOM 0 H PHE A 34 5.141 -6.982 -5.623 1.00 0.00 H new ATOM 0 HA PHE A 34 3.587 -4.579 -6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.071 -5.178 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.626 -3.534 -5.040 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.314 -6.607 -3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.051 -2.370 -3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.778 -6.542 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.517 -2.301 -1.825 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.880 -4.388 -0.681 1.00 0.00 H new ATOM 503 N SER A 35 6.190 -5.584 -7.877 1.00 0.00 N ATOM 504 CA SER A 35 7.051 -5.329 -9.026 1.00 0.00 C ATOM 505 C SER A 35 6.231 -4.867 -10.227 1.00 0.00 C ATOM 506 O SER A 35 6.575 -3.903 -10.912 1.00 0.00 O ATOM 507 CB SER A 35 7.841 -6.588 -9.388 1.00 0.00 C ATOM 508 OG SER A 35 8.062 -6.668 -10.786 1.00 0.00 O ATOM 0 H SER A 35 6.238 -6.537 -7.518 1.00 0.00 H new ATOM 0 HA SER A 35 7.749 -4.536 -8.757 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.797 -6.584 -8.865 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.298 -7.471 -9.052 1.00 0.00 H new ATOM 0 HG SER A 35 8.570 -7.481 -10.991 1.00 0.00 H new ATOM 514 N PRO A 36 5.120 -5.570 -10.490 1.00 0.00 N ATOM 515 CA PRO A 36 4.227 -5.252 -11.608 1.00 0.00 C ATOM 516 C PRO A 36 3.883 -3.767 -11.670 1.00 0.00 C ATOM 517 O PRO A 36 3.713 -3.204 -12.751 1.00 0.00 O ATOM 518 CB PRO A 36 2.974 -6.079 -11.308 1.00 0.00 C ATOM 519 CG PRO A 36 3.462 -7.221 -10.487 1.00 0.00 C ATOM 520 CD PRO A 36 4.649 -6.731 -9.716 1.00 0.00 C ATOM 0 HA PRO A 36 4.683 -5.479 -12.572 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.232 -5.491 -10.768 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.499 -6.426 -12.226 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.682 -7.572 -9.812 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.736 -8.063 -11.122 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.376 -6.449 -8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.419 -7.498 -9.638 1.00 0.00 H new ATOM 528 N PHE A 37 3.782 -3.139 -10.503 1.00 0.00 N ATOM 529 CA PHE A 37 3.458 -1.719 -10.426 1.00 0.00 C ATOM 530 C PHE A 37 4.686 -0.864 -10.721 1.00 0.00 C ATOM 531 O PHE A 37 4.585 0.195 -11.340 1.00 0.00 O ATOM 532 CB PHE A 37 2.905 -1.376 -9.041 1.00 0.00 C ATOM 533 CG PHE A 37 1.546 -1.958 -8.777 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.414 -3.241 -8.270 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.400 -1.223 -9.036 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.164 -3.779 -8.025 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.851 -1.756 -8.794 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.970 -3.036 -8.289 1.00 0.00 C ATOM 0 H PHE A 37 3.920 -3.590 -9.599 1.00 0.00 H new ATOM 0 HA PHE A 37 2.698 -1.504 -11.178 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.599 -1.736 -8.282 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.854 -0.292 -8.937 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.297 -3.827 -8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.486 -0.222 -9.432 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.074 -4.779 -7.628 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.736 -1.172 -9.000 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.948 -3.455 -8.101 1.00 0.00 H new ATOM 548 N GLY A 38 5.848 -1.331 -10.273 1.00 0.00 N ATOM 549 CA GLY A 38 7.079 -0.597 -10.499 1.00 0.00 C ATOM 550 C GLY A 38 8.294 -1.320 -9.951 1.00 0.00 C ATOM 551 O GLY A 38 8.228 -2.509 -9.639 1.00 0.00 O ATOM 0 H GLY A 38 5.958 -2.204 -9.758 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.209 -0.433 -11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.004 0.385 -10.033 1.00 0.00 H new ATOM 555 N ASN A 39 9.406 -0.602 -9.836 1.00 0.00 N ATOM 556 CA ASN A 39 10.642 -1.184 -9.325 1.00 0.00 C ATOM 557 C ASN A 39 10.721 -1.048 -7.808 1.00 0.00 C ATOM 558 O ASN A 39 10.505 0.034 -7.260 1.00 0.00 O ATOM 559 CB ASN A 39 11.853 -0.510 -9.972 1.00 0.00 C ATOM 560 CG ASN A 39 13.158 -1.190 -9.604 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.294 -2.407 -9.729 1.00 0.00 O ATOM 562 ND2 ASN A 39 14.126 -0.403 -9.147 1.00 0.00 N ATOM 0 H ASN A 39 9.477 0.383 -10.090 1.00 0.00 H new ATOM 0 HA ASN A 39 10.646 -2.244 -9.578 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.735 -0.519 -11.056 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.891 0.535 -9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 39 15.027 -0.803 -8.883 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.969 0.601 -9.060 1.00 0.00 H new ATOM 569 N ILE A 40 11.031 -2.151 -7.135 1.00 0.00 N ATOM 570 CA ILE A 40 11.140 -2.153 -5.681 1.00 0.00 C ATOM 571 C ILE A 40 12.578 -1.905 -5.237 1.00 0.00 C ATOM 572 O ILE A 40 13.450 -2.754 -5.422 1.00 0.00 O ATOM 573 CB ILE A 40 10.653 -3.486 -5.083 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.232 -3.795 -5.560 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.708 -3.436 -3.563 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.777 -5.200 -5.232 1.00 0.00 C ATOM 0 H ILE A 40 11.211 -3.054 -7.573 1.00 0.00 H new ATOM 0 HA ILE A 40 10.505 -1.346 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 40 11.313 -4.283 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.542 -3.083 -5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.179 -3.647 -6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.361 -4.385 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.734 -3.257 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.069 -2.630 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.762 -5.349 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.444 -5.919 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.797 -5.346 -4.152 1.00 0.00 H new ATOM 588 N ILE A 41 12.816 -0.737 -4.650 1.00 0.00 N ATOM 589 CA ILE A 41 14.147 -0.379 -4.177 1.00 0.00 C ATOM 590 C ILE A 41 14.305 -0.689 -2.692 1.00 0.00 C ATOM 591 O ILE A 41 15.415 -0.914 -2.209 1.00 0.00 O ATOM 592 CB ILE A 41 14.445 1.114 -4.412 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.270 1.972 -3.938 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.736 1.371 -5.883 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.545 3.458 -3.996 1.00 0.00 C ATOM 0 H ILE A 41 12.105 -0.023 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 41 14.856 -0.978 -4.748 1.00 0.00 H new ATOM 0 HB ILE A 41 15.327 1.388 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.397 1.748 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 41 13.020 1.697 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.945 2.430 -6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.601 0.784 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.871 1.083 -6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.669 4.004 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.399 3.695 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.766 3.747 -5.023 1.00 0.00 H new ATOM 607 N ASP A 42 13.188 -0.701 -1.974 1.00 0.00 N ATOM 608 CA ASP A 42 13.201 -0.987 -0.544 1.00 0.00 C ATOM 609 C ASP A 42 11.988 -1.823 -0.146 1.00 0.00 C ATOM 610 O ASP A 42 10.853 -1.347 -0.185 1.00 0.00 O ATOM 611 CB ASP A 42 13.224 0.314 0.258 1.00 0.00 C ATOM 612 CG ASP A 42 13.933 0.162 1.589 1.00 0.00 C ATOM 613 OD1 ASP A 42 13.340 -0.433 2.513 1.00 0.00 O ATOM 614 OD2 ASP A 42 15.083 0.636 1.707 1.00 0.00 O ATOM 0 H ASP A 42 12.262 -0.516 -2.359 1.00 0.00 H new ATOM 0 HA ASP A 42 14.102 -1.558 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.719 1.089 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.201 0.649 0.431 1.00 0.00 H new ATOM 619 N LEU A 43 12.235 -3.071 0.236 1.00 0.00 N ATOM 620 CA LEU A 43 11.164 -3.974 0.640 1.00 0.00 C ATOM 621 C LEU A 43 11.521 -4.699 1.934 1.00 0.00 C ATOM 622 O LEU A 43 12.419 -5.541 1.957 1.00 0.00 O ATOM 623 CB LEU A 43 10.882 -4.992 -0.467 1.00 0.00 C ATOM 624 CG LEU A 43 10.095 -6.235 -0.052 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.804 -5.840 0.649 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.801 -7.109 -1.262 1.00 0.00 C ATOM 0 H LEU A 43 13.168 -3.481 0.274 1.00 0.00 H new ATOM 0 HA LEU A 43 10.268 -3.378 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.334 -4.489 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.834 -5.314 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 43 10.703 -6.810 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.257 -6.738 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.037 -5.256 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.191 -5.243 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.240 -7.989 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.213 -6.544 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.739 -7.421 -1.722 1.00 0.00 H new ATOM 638 N SER A 44 10.812 -4.367 3.008 1.00 0.00 N ATOM 639 CA SER A 44 11.055 -4.985 4.306 1.00 0.00 C ATOM 640 C SER A 44 9.793 -5.661 4.831 1.00 0.00 C ATOM 641 O SER A 44 8.687 -5.145 4.671 1.00 0.00 O ATOM 642 CB SER A 44 11.543 -3.938 5.309 1.00 0.00 C ATOM 643 OG SER A 44 10.629 -2.859 5.404 1.00 0.00 O ATOM 0 H SER A 44 10.064 -3.673 3.005 1.00 0.00 H new ATOM 0 HA SER A 44 11.827 -5.745 4.181 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.669 -4.399 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.521 -3.565 5.004 1.00 0.00 H new ATOM 0 HG SER A 44 10.962 -2.204 6.052 1.00 0.00 H new ATOM 649 N MET A 45 9.967 -6.819 5.460 1.00 0.00 N ATOM 650 CA MET A 45 8.841 -7.565 6.011 1.00 0.00 C ATOM 651 C MET A 45 9.033 -7.816 7.503 1.00 0.00 C ATOM 652 O MET A 45 10.118 -8.198 7.943 1.00 0.00 O ATOM 653 CB MET A 45 8.677 -8.897 5.275 1.00 0.00 C ATOM 654 CG MET A 45 7.778 -8.808 4.052 1.00 0.00 C ATOM 655 SD MET A 45 6.027 -8.920 4.468 1.00 0.00 S ATOM 656 CE MET A 45 5.581 -10.447 3.645 1.00 0.00 C ATOM 0 H MET A 45 10.876 -7.261 5.601 1.00 0.00 H new ATOM 0 HA MET A 45 7.939 -6.968 5.874 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.659 -9.257 4.969 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.268 -9.636 5.964 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.965 -7.866 3.536 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.035 -9.608 3.358 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.699 -10.283 3.026 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.409 -10.777 3.017 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.364 -11.212 4.390 1.00 0.00 H new ATOM 666 N ASP A 46 7.975 -7.598 8.276 1.00 0.00 N ATOM 667 CA ASP A 46 8.027 -7.801 9.719 1.00 0.00 C ATOM 668 C ASP A 46 7.008 -8.848 10.158 1.00 0.00 C ATOM 669 O ASP A 46 5.833 -8.551 10.378 1.00 0.00 O ATOM 670 CB ASP A 46 7.771 -6.483 10.451 1.00 0.00 C ATOM 671 CG ASP A 46 8.972 -5.558 10.416 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.909 -5.773 11.212 1.00 0.00 O ATOM 673 OD2 ASP A 46 8.974 -4.619 9.592 1.00 0.00 O ATOM 0 H ASP A 46 7.071 -7.281 7.927 1.00 0.00 H new ATOM 0 HA ASP A 46 9.024 -8.161 9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.916 -5.980 9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.507 -6.692 11.488 1.00 0.00 H new ATOM 678 N PRO A 47 7.465 -10.102 10.288 1.00 0.00 N ATOM 679 CA PRO A 47 6.609 -11.218 10.701 1.00 0.00 C ATOM 680 C PRO A 47 5.770 -10.881 11.929 1.00 0.00 C ATOM 681 O PRO A 47 4.580 -11.190 12.002 1.00 0.00 O ATOM 682 CB PRO A 47 7.608 -12.331 11.024 1.00 0.00 C ATOM 683 CG PRO A 47 8.807 -12.016 10.197 1.00 0.00 C ATOM 684 CD PRO A 47 8.853 -10.527 10.042 1.00 0.00 C ATOM 0 HA PRO A 47 5.887 -11.486 9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.853 -12.347 12.086 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.202 -13.312 10.775 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.714 -12.382 10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.743 -12.503 9.224 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.542 -10.072 10.754 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.188 -10.239 9.046 1.00 0.00 H new ATOM 692 N PRO A 48 6.402 -10.233 12.918 1.00 0.00 N ATOM 693 CA PRO A 48 5.732 -9.839 14.161 1.00 0.00 C ATOM 694 C PRO A 48 4.397 -9.147 13.906 1.00 0.00 C ATOM 695 O PRO A 48 3.353 -9.599 14.376 1.00 0.00 O ATOM 696 CB PRO A 48 6.723 -8.868 14.807 1.00 0.00 C ATOM 697 CG PRO A 48 8.053 -9.270 14.268 1.00 0.00 C ATOM 698 CD PRO A 48 7.819 -9.833 12.899 1.00 0.00 C ATOM 0 HA PRO A 48 5.491 -10.700 14.784 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.488 -7.835 14.552 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.698 -8.941 15.894 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.726 -8.414 14.223 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.523 -10.011 14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.015 -9.092 12.124 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.471 -10.683 12.700 1.00 0.00 H new ATOM 706 N ARG A 49 4.439 -8.048 13.160 1.00 0.00 N ATOM 707 CA ARG A 49 3.233 -7.293 12.844 1.00 0.00 C ATOM 708 C ARG A 49 2.630 -7.759 11.522 1.00 0.00 C ATOM 709 O ARG A 49 1.793 -7.076 10.935 1.00 0.00 O ATOM 710 CB ARG A 49 3.545 -5.797 12.775 1.00 0.00 C ATOM 711 CG ARG A 49 4.241 -5.262 14.016 1.00 0.00 C ATOM 712 CD ARG A 49 3.298 -5.220 15.209 1.00 0.00 C ATOM 713 NE ARG A 49 3.667 -4.176 16.161 1.00 0.00 N ATOM 714 CZ ARG A 49 3.620 -2.878 15.883 1.00 0.00 C ATOM 715 NH1 ARG A 49 3.222 -2.467 14.687 1.00 0.00 N ATOM 716 NH2 ARG A 49 3.971 -1.988 16.803 1.00 0.00 N ATOM 0 H ARG A 49 5.295 -7.661 12.763 1.00 0.00 H new ATOM 0 HA ARG A 49 2.507 -7.469 13.637 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.173 -5.605 11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.616 -5.247 12.624 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.100 -5.890 14.252 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.623 -4.261 13.817 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.280 -5.049 14.860 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.305 -6.187 15.711 1.00 0.00 H new ATOM 0 HE ARG A 49 3.978 -4.459 17.090 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.951 -3.148 13.978 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.187 -1.470 14.476 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.277 -2.301 17.724 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.935 -0.991 16.589 1.00 0.00 H new ATOM 730 N ASN A 50 3.064 -8.927 11.059 1.00 0.00 N ATOM 731 CA ASN A 50 2.569 -9.484 9.806 1.00 0.00 C ATOM 732 C ASN A 50 2.375 -8.388 8.762 1.00 0.00 C ATOM 733 O ASN A 50 1.502 -8.486 7.899 1.00 0.00 O ATOM 734 CB ASN A 50 1.249 -10.222 10.038 1.00 0.00 C ATOM 735 CG ASN A 50 1.231 -10.974 11.355 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.752 -12.085 11.455 1.00 0.00 O ATOM 737 ND2 ASN A 50 0.628 -10.370 12.372 1.00 0.00 N ATOM 0 H ASN A 50 3.757 -9.506 11.533 1.00 0.00 H new ATOM 0 HA ASN A 50 3.311 -10.189 9.433 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.427 -9.506 10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.079 -10.922 9.220 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.583 -10.827 13.283 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.210 -9.449 12.243 1.00 0.00 H new ATOM 744 N CYS A 51 3.195 -7.347 8.847 1.00 0.00 N ATOM 745 CA CYS A 51 3.115 -6.232 7.910 1.00 0.00 C ATOM 746 C CYS A 51 4.392 -6.122 7.084 1.00 0.00 C ATOM 747 O CYS A 51 5.300 -6.942 7.215 1.00 0.00 O ATOM 748 CB CYS A 51 2.865 -4.924 8.662 1.00 0.00 C ATOM 749 SG CYS A 51 1.201 -4.775 9.353 1.00 0.00 S ATOM 0 H CYS A 51 3.923 -7.251 9.555 1.00 0.00 H new ATOM 0 HA CYS A 51 2.282 -6.418 7.233 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.591 -4.838 9.470 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.041 -4.089 7.984 1.00 0.00 H new ATOM 0 HG CYS A 51 0.966 -5.783 10.139 1.00 0.00 H new ATOM 755 N ALA A 52 4.454 -5.104 6.232 1.00 0.00 N ATOM 756 CA ALA A 52 5.620 -4.887 5.385 1.00 0.00 C ATOM 757 C ALA A 52 5.675 -3.447 4.884 1.00 0.00 C ATOM 758 O ALA A 52 4.766 -2.656 5.138 1.00 0.00 O ATOM 759 CB ALA A 52 5.608 -5.855 4.212 1.00 0.00 C ATOM 0 H ALA A 52 3.710 -4.417 6.110 1.00 0.00 H new ATOM 0 HA ALA A 52 6.512 -5.070 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.485 -5.681 3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.625 -6.879 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.705 -5.699 3.621 1.00 0.00 H new ATOM 765 N PHE A 53 6.746 -3.113 4.172 1.00 0.00 N ATOM 766 CA PHE A 53 6.920 -1.768 3.638 1.00 0.00 C ATOM 767 C PHE A 53 7.651 -1.805 2.299 1.00 0.00 C ATOM 768 O PHE A 53 8.849 -2.084 2.241 1.00 0.00 O ATOM 769 CB PHE A 53 7.693 -0.897 4.630 1.00 0.00 C ATOM 770 CG PHE A 53 7.242 -1.066 6.053 1.00 0.00 C ATOM 771 CD1 PHE A 53 7.480 -2.250 6.733 1.00 0.00 C ATOM 772 CD2 PHE A 53 6.582 -0.041 6.711 1.00 0.00 C ATOM 773 CE1 PHE A 53 7.066 -2.407 8.042 1.00 0.00 C ATOM 774 CE2 PHE A 53 6.166 -0.193 8.020 1.00 0.00 C ATOM 775 CZ PHE A 53 6.409 -1.377 8.687 1.00 0.00 C ATOM 0 H PHE A 53 7.507 -3.756 3.952 1.00 0.00 H new ATOM 0 HA PHE A 53 5.931 -1.336 3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.754 -1.137 4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.584 0.149 4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.994 -3.058 6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.390 0.888 6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.256 -3.335 8.561 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.651 0.614 8.521 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.086 -1.498 9.711 1.00 0.00 H new ATOM 785 N VAL A 54 6.921 -1.522 1.224 1.00 0.00 N ATOM 786 CA VAL A 54 7.499 -1.522 -0.114 1.00 0.00 C ATOM 787 C VAL A 54 7.664 -0.101 -0.642 1.00 0.00 C ATOM 788 O VAL A 54 6.753 0.721 -0.538 1.00 0.00 O ATOM 789 CB VAL A 54 6.632 -2.327 -1.100 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.283 -2.368 -2.474 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.392 -3.734 -0.572 1.00 0.00 C ATOM 0 H VAL A 54 5.928 -1.290 1.254 1.00 0.00 H new ATOM 0 HA VAL A 54 8.479 -1.993 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 54 5.667 -1.830 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.656 -2.941 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.398 -1.352 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.263 -2.840 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.778 -4.289 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.348 -4.243 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.879 -3.680 0.388 1.00 0.00 H new ATOM 801 N THR A 55 8.832 0.182 -1.209 1.00 0.00 N ATOM 802 CA THR A 55 9.117 1.504 -1.753 1.00 0.00 C ATOM 803 C THR A 55 9.254 1.456 -3.271 1.00 0.00 C ATOM 804 O THR A 55 9.823 0.514 -3.823 1.00 0.00 O ATOM 805 CB THR A 55 10.407 2.093 -1.151 1.00 0.00 C ATOM 806 OG1 THR A 55 10.391 1.951 0.274 1.00 0.00 O ATOM 807 CG2 THR A 55 10.553 3.562 -1.518 1.00 0.00 C ATOM 0 H THR A 55 9.596 -0.487 -1.304 1.00 0.00 H new ATOM 0 HA THR A 55 8.275 2.144 -1.487 1.00 0.00 H new ATOM 0 HB THR A 55 11.256 1.546 -1.561 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.150 2.437 0.660 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.471 3.956 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.593 3.664 -2.602 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.699 4.120 -1.133 1.00 0.00 H new ATOM 815 N TYR A 56 8.730 2.477 -3.940 1.00 0.00 N ATOM 816 CA TYR A 56 8.793 2.550 -5.395 1.00 0.00 C ATOM 817 C TYR A 56 9.761 3.640 -5.844 1.00 0.00 C ATOM 818 O TYR A 56 9.835 4.708 -5.238 1.00 0.00 O ATOM 819 CB TYR A 56 7.402 2.818 -5.973 1.00 0.00 C ATOM 820 CG TYR A 56 6.506 1.600 -5.982 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.928 0.407 -6.554 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.236 1.644 -5.420 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.112 -0.708 -6.566 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.414 0.534 -5.426 1.00 0.00 C ATOM 825 CZ TYR A 56 4.856 -0.640 -6.000 1.00 0.00 C ATOM 826 OH TYR A 56 4.040 -1.747 -6.009 1.00 0.00 O ATOM 0 H TYR A 56 8.257 3.265 -3.498 1.00 0.00 H new ATOM 0 HA TYR A 56 9.156 1.592 -5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.923 3.607 -5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.507 3.190 -6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.911 0.350 -6.997 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.886 2.562 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.456 -1.628 -7.016 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.430 0.585 -4.984 1.00 0.00 H new ATOM 0 HH TYR A 56 4.453 -2.453 -6.548 1.00 0.00 H new ATOM 836 N GLU A 57 10.502 3.360 -6.912 1.00 0.00 N ATOM 837 CA GLU A 57 11.467 4.316 -7.443 1.00 0.00 C ATOM 838 C GLU A 57 10.781 5.624 -7.828 1.00 0.00 C ATOM 839 O GLU A 57 11.416 6.677 -7.888 1.00 0.00 O ATOM 840 CB GLU A 57 12.185 3.727 -8.659 1.00 0.00 C ATOM 841 CG GLU A 57 13.055 4.731 -9.397 1.00 0.00 C ATOM 842 CD GLU A 57 13.907 4.085 -10.472 1.00 0.00 C ATOM 843 OE1 GLU A 57 13.469 3.063 -11.041 1.00 0.00 O ATOM 844 OE2 GLU A 57 15.011 4.601 -10.745 1.00 0.00 O ATOM 0 H GLU A 57 10.453 2.480 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 57 12.200 4.525 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.805 2.891 -8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.443 3.325 -9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.420 5.492 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.702 5.240 -8.683 1.00 0.00 H new ATOM 851 N LYS A 58 9.480 5.548 -8.089 1.00 0.00 N ATOM 852 CA LYS A 58 8.706 6.725 -8.468 1.00 0.00 C ATOM 853 C LYS A 58 7.547 6.947 -7.501 1.00 0.00 C ATOM 854 O LYS A 58 7.248 6.092 -6.669 1.00 0.00 O ATOM 855 CB LYS A 58 8.173 6.572 -9.894 1.00 0.00 C ATOM 856 CG LYS A 58 9.261 6.354 -10.931 1.00 0.00 C ATOM 857 CD LYS A 58 8.839 6.864 -12.298 1.00 0.00 C ATOM 858 CE LYS A 58 9.746 6.330 -13.396 1.00 0.00 C ATOM 859 NZ LYS A 58 11.084 6.982 -13.376 1.00 0.00 N ATOM 0 H LYS A 58 8.940 4.684 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 58 9.364 7.593 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.480 5.732 -9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.605 7.464 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.172 6.864 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.496 5.292 -10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.810 6.565 -12.497 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.861 7.954 -12.304 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.865 5.253 -13.277 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.277 6.494 -14.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.672 6.591 -14.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.973 8.007 -13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.543 6.805 -12.460 1.00 0.00 H new ATOM 873 N MET A 59 6.899 8.101 -7.618 1.00 0.00 N ATOM 874 CA MET A 59 5.771 8.434 -6.756 1.00 0.00 C ATOM 875 C MET A 59 4.475 7.846 -7.305 1.00 0.00 C ATOM 876 O MET A 59 3.696 7.243 -6.568 1.00 0.00 O ATOM 877 CB MET A 59 5.637 9.952 -6.618 1.00 0.00 C ATOM 878 CG MET A 59 5.310 10.655 -7.926 1.00 0.00 C ATOM 879 SD MET A 59 5.815 12.386 -7.930 1.00 0.00 S ATOM 880 CE MET A 59 7.298 12.303 -8.931 1.00 0.00 C ATOM 0 H MET A 59 7.135 8.821 -8.301 1.00 0.00 H new ATOM 0 HA MET A 59 5.958 8.002 -5.773 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.857 10.175 -5.890 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.568 10.356 -6.221 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.804 10.135 -8.747 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.237 10.593 -8.109 1.00 0.00 H new ATOM 0 HE1 MET A 59 7.729 13.300 -9.026 1.00 0.00 H new ATOM 0 HE2 MET A 59 8.021 11.639 -8.456 1.00 0.00 H new ATOM 0 HE3 MET A 59 7.048 11.920 -9.920 1.00 0.00 H new ATOM 890 N GLU A 60 4.251 8.027 -8.603 1.00 0.00 N ATOM 891 CA GLU A 60 3.048 7.514 -9.249 1.00 0.00 C ATOM 892 C GLU A 60 2.729 6.103 -8.763 1.00 0.00 C ATOM 893 O GLU A 60 1.574 5.775 -8.492 1.00 0.00 O ATOM 894 CB GLU A 60 3.218 7.516 -10.769 1.00 0.00 C ATOM 895 CG GLU A 60 4.419 6.716 -11.248 1.00 0.00 C ATOM 896 CD GLU A 60 4.627 6.817 -12.747 1.00 0.00 C ATOM 897 OE1 GLU A 60 5.195 7.833 -13.199 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.221 5.881 -13.466 1.00 0.00 O ATOM 0 H GLU A 60 4.886 8.524 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 60 2.217 8.167 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.316 7.111 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.317 8.545 -11.114 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.314 7.070 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.287 5.670 -10.973 1.00 0.00 H new ATOM 905 N SER A 61 3.762 5.273 -8.656 1.00 0.00 N ATOM 906 CA SER A 61 3.592 3.896 -8.207 1.00 0.00 C ATOM 907 C SER A 61 2.964 3.851 -6.818 1.00 0.00 C ATOM 908 O SER A 61 2.002 3.119 -6.583 1.00 0.00 O ATOM 909 CB SER A 61 4.940 3.172 -8.193 1.00 0.00 C ATOM 910 OG SER A 61 5.383 2.896 -9.511 1.00 0.00 O ATOM 0 H SER A 61 4.725 5.530 -8.874 1.00 0.00 H new ATOM 0 HA SER A 61 2.924 3.392 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.680 3.784 -7.678 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.851 2.241 -7.633 1.00 0.00 H new ATOM 0 HG SER A 61 6.247 2.435 -9.476 1.00 0.00 H new ATOM 916 N ALA A 62 3.515 4.639 -5.900 1.00 0.00 N ATOM 917 CA ALA A 62 3.008 4.691 -4.534 1.00 0.00 C ATOM 918 C ALA A 62 1.485 4.770 -4.516 1.00 0.00 C ATOM 919 O ALA A 62 0.818 3.928 -3.914 1.00 0.00 O ATOM 920 CB ALA A 62 3.609 5.876 -3.793 1.00 0.00 C ATOM 0 H ALA A 62 4.312 5.250 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 62 3.304 3.772 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.222 5.903 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.694 5.776 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.342 6.800 -4.307 1.00 0.00 H new ATOM 926 N ASP A 63 0.942 5.785 -5.178 1.00 0.00 N ATOM 927 CA ASP A 63 -0.503 5.974 -5.238 1.00 0.00 C ATOM 928 C ASP A 63 -1.169 4.829 -5.995 1.00 0.00 C ATOM 929 O ASP A 63 -2.187 4.294 -5.558 1.00 0.00 O ATOM 930 CB ASP A 63 -0.837 7.307 -5.909 1.00 0.00 C ATOM 931 CG ASP A 63 -0.977 7.180 -7.413 1.00 0.00 C ATOM 932 OD1 ASP A 63 -1.926 6.506 -7.866 1.00 0.00 O ATOM 933 OD2 ASP A 63 -0.138 7.755 -8.137 1.00 0.00 O ATOM 0 H ASP A 63 1.481 6.490 -5.681 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.886 5.984 -4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.766 7.697 -5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.056 8.031 -5.680 1.00 0.00 H new ATOM 938 N GLN A 64 -0.587 4.459 -7.131 1.00 0.00 N ATOM 939 CA GLN A 64 -1.126 3.379 -7.949 1.00 0.00 C ATOM 940 C GLN A 64 -1.335 2.118 -7.116 1.00 0.00 C ATOM 941 O GLN A 64 -2.465 1.674 -6.917 1.00 0.00 O ATOM 942 CB GLN A 64 -0.188 3.081 -9.120 1.00 0.00 C ATOM 943 CG GLN A 64 -0.373 4.020 -10.301 1.00 0.00 C ATOM 944 CD GLN A 64 -0.032 3.366 -11.626 1.00 0.00 C ATOM 945 OE1 GLN A 64 0.910 2.579 -11.718 1.00 0.00 O ATOM 946 NE2 GLN A 64 -0.799 3.689 -12.660 1.00 0.00 N ATOM 0 H GLN A 64 0.258 4.891 -7.506 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.092 3.700 -8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.844 3.145 -8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.350 2.056 -9.453 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.406 4.366 -10.326 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.255 4.900 -10.162 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.569 4.346 -12.538 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.618 3.280 -13.577 1.00 0.00 H new ATOM 955 N ALA A 65 -0.237 1.546 -6.632 1.00 0.00 N ATOM 956 CA ALA A 65 -0.301 0.337 -5.820 1.00 0.00 C ATOM 957 C ALA A 65 -1.370 0.458 -4.739 1.00 0.00 C ATOM 958 O ALA A 65 -2.336 -0.306 -4.719 1.00 0.00 O ATOM 959 CB ALA A 65 1.056 0.051 -5.193 1.00 0.00 C ATOM 0 H ALA A 65 0.707 1.900 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.572 -0.495 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.994 -0.854 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.798 -0.087 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.349 0.889 -4.561 1.00 0.00 H new ATOM 965 N VAL A 66 -1.191 1.421 -3.840 1.00 0.00 N ATOM 966 CA VAL A 66 -2.141 1.641 -2.757 1.00 0.00 C ATOM 967 C VAL A 66 -3.567 1.732 -3.286 1.00 0.00 C ATOM 968 O VAL A 66 -4.530 1.577 -2.535 1.00 0.00 O ATOM 969 CB VAL A 66 -1.812 2.927 -1.975 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.029 3.406 -1.199 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.632 2.697 -1.043 1.00 0.00 C ATOM 0 H VAL A 66 -0.397 2.061 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.060 0.785 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.536 3.704 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.778 4.315 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.844 3.613 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.339 2.634 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.414 3.616 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.877 1.905 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.241 2.405 -1.627 1.00 0.00 H new ATOM 981 N ALA A 67 -3.696 1.982 -4.585 1.00 0.00 N ATOM 982 CA ALA A 67 -5.005 2.091 -5.216 1.00 0.00 C ATOM 983 C ALA A 67 -5.511 0.726 -5.668 1.00 0.00 C ATOM 984 O ALA A 67 -6.710 0.451 -5.618 1.00 0.00 O ATOM 985 CB ALA A 67 -4.945 3.051 -6.395 1.00 0.00 C ATOM 0 H ALA A 67 -2.909 2.113 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.705 2.483 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.930 3.122 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.635 4.036 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.227 2.683 -7.128 1.00 0.00 H new ATOM 991 N GLU A 68 -4.591 -0.125 -6.111 1.00 0.00 N ATOM 992 CA GLU A 68 -4.946 -1.461 -6.574 1.00 0.00 C ATOM 993 C GLU A 68 -4.715 -2.496 -5.476 1.00 0.00 C ATOM 994 O GLU A 68 -5.638 -3.205 -5.072 1.00 0.00 O ATOM 995 CB GLU A 68 -4.131 -1.829 -7.816 1.00 0.00 C ATOM 996 CG GLU A 68 -4.272 -0.831 -8.953 1.00 0.00 C ATOM 997 CD GLU A 68 -4.119 -1.476 -10.317 1.00 0.00 C ATOM 998 OE1 GLU A 68 -2.971 -1.595 -10.792 1.00 0.00 O ATOM 999 OE2 GLU A 68 -5.149 -1.862 -10.908 1.00 0.00 O ATOM 0 H GLU A 68 -3.594 0.087 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.005 -1.459 -6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.079 -1.907 -7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.443 -2.813 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.248 -0.350 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.522 -0.048 -8.839 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.478 -2.579 -4.999 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.125 -3.527 -3.949 1.00 0.00 C ATOM 1008 C LEU A 69 -4.049 -3.375 -2.745 1.00 0.00 C ATOM 1009 O LEU A 69 -4.263 -4.324 -1.991 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.671 -3.324 -3.519 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.606 -3.815 -4.500 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.723 -4.018 -3.789 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.055 -5.104 -5.174 1.00 0.00 C ATOM 0 H LEU A 69 -2.703 -2.001 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.242 -4.534 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.511 -2.260 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.521 -3.832 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.470 -3.054 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.468 -4.368 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.051 -3.074 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.603 -4.759 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.285 -5.439 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.220 -5.872 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.982 -4.926 -5.719 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.595 -2.176 -2.572 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.498 -1.901 -1.460 1.00 0.00 C ATOM 1027 C ASN A 70 -6.625 -2.928 -1.407 1.00 0.00 C ATOM 1028 O ASN A 70 -7.431 -3.028 -2.331 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.082 -0.493 -1.587 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.470 -0.386 -0.986 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.471 -0.631 -1.659 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.536 -0.018 0.289 1.00 0.00 N ATOM 0 H ASN A 70 -4.428 -1.380 -3.187 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.926 -1.968 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.420 0.218 -1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.122 -0.213 -2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.443 0.071 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.680 0.175 0.809 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.673 -3.690 -0.319 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.705 -4.699 -0.165 1.00 0.00 C ATOM 1041 C GLY A 71 -7.718 -5.693 -1.309 1.00 0.00 C ATOM 1042 O GLY A 71 -8.732 -6.345 -1.564 1.00 0.00 O ATOM 0 H GLY A 71 -6.016 -3.627 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.551 -5.232 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.678 -4.212 -0.099 1.00 0.00 H new ATOM 1046 N THR A 72 -6.590 -5.811 -2.002 1.00 0.00 N ATOM 1047 CA THR A 72 -6.476 -6.731 -3.127 1.00 0.00 C ATOM 1048 C THR A 72 -6.210 -8.153 -2.649 1.00 0.00 C ATOM 1049 O THR A 72 -5.679 -8.362 -1.559 1.00 0.00 O ATOM 1050 CB THR A 72 -5.351 -6.305 -4.089 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.621 -6.798 -5.406 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.005 -6.829 -3.612 1.00 0.00 C ATOM 0 H THR A 72 -5.742 -5.281 -1.804 1.00 0.00 H new ATOM 0 HA THR A 72 -7.428 -6.701 -3.658 1.00 0.00 H new ATOM 0 HB THR A 72 -5.313 -5.216 -4.110 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.902 -6.522 -6.012 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.226 -6.516 -4.307 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.790 -6.430 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.034 -7.918 -3.566 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.582 -9.129 -3.472 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.382 -10.532 -3.132 1.00 0.00 C ATOM 1062 C GLN A 73 -5.428 -11.201 -4.117 1.00 0.00 C ATOM 1063 O GLN A 73 -5.840 -11.655 -5.185 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.721 -11.271 -3.119 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.671 -12.609 -2.400 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.994 -13.349 -2.449 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -10.028 -12.773 -2.788 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -8.967 -14.632 -2.111 1.00 0.00 N ATOM 0 H GLN A 73 -7.023 -8.973 -4.378 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.939 -10.579 -2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.470 -10.639 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.047 -11.432 -4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.895 -13.229 -2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.388 -12.448 -1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.087 -15.069 -1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.826 -15.181 -2.126 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.152 -11.257 -3.752 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.139 -11.871 -4.603 1.00 0.00 C ATOM 1079 C VAL A 74 -2.561 -13.123 -3.953 1.00 0.00 C ATOM 1080 O VAL A 74 -2.364 -13.170 -2.740 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.993 -10.889 -4.908 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.546 -9.524 -5.290 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -1.054 -10.778 -3.717 1.00 0.00 C ATOM 0 H VAL A 74 -3.794 -10.885 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.632 -12.144 -5.536 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.425 -11.274 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.721 -8.844 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.174 -9.621 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.140 -9.129 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.250 -10.080 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.607 -10.417 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.630 -11.757 -3.495 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.291 -14.136 -4.771 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.736 -15.390 -4.275 1.00 0.00 C ATOM 1095 C GLU A 75 -2.604 -15.967 -3.160 1.00 0.00 C ATOM 1096 O GLU A 75 -2.098 -16.574 -2.216 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.309 -15.175 -3.765 1.00 0.00 C ATOM 1098 CG GLU A 75 0.647 -14.666 -4.831 1.00 0.00 C ATOM 1099 CD GLU A 75 1.039 -15.742 -5.825 1.00 0.00 C ATOM 1100 OE1 GLU A 75 0.172 -16.567 -6.180 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.214 -15.758 -6.248 1.00 0.00 O ATOM 0 H GLU A 75 -2.447 -14.113 -5.779 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.717 -16.101 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.330 -14.464 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.071 -16.116 -3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.183 -13.836 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.545 -14.275 -4.352 1.00 0.00 H new ATOM 1108 N SER A 76 -3.913 -15.771 -3.277 1.00 0.00 N ATOM 1109 CA SER A 76 -4.852 -16.268 -2.278 1.00 0.00 C ATOM 1110 C SER A 76 -4.613 -15.599 -0.927 1.00 0.00 C ATOM 1111 O SER A 76 -4.858 -16.191 0.124 1.00 0.00 O ATOM 1112 CB SER A 76 -4.725 -17.786 -2.137 1.00 0.00 C ATOM 1113 OG SER A 76 -5.602 -18.455 -3.026 1.00 0.00 O ATOM 0 H SER A 76 -4.348 -15.272 -4.053 1.00 0.00 H new ATOM 0 HA SER A 76 -5.861 -16.025 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.697 -18.089 -2.338 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.948 -18.079 -1.111 1.00 0.00 H new ATOM 0 HG SER A 76 -5.501 -19.424 -2.918 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.131 -14.360 -0.965 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.858 -13.609 0.255 1.00 0.00 C ATOM 1121 C VAL A 77 -4.314 -12.160 0.121 1.00 0.00 C ATOM 1122 O VAL A 77 -3.866 -11.439 -0.770 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.359 -13.634 0.606 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.044 -12.599 1.675 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.941 -15.025 1.059 1.00 0.00 C ATOM 0 H VAL A 77 -3.922 -13.856 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.419 -14.091 1.056 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.790 -13.382 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.980 -12.631 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.305 -11.606 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.621 -12.817 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.879 -15.024 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.516 -15.308 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.129 -15.740 0.258 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.206 -11.742 1.012 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.723 -10.378 0.993 1.00 0.00 C ATOM 1137 C GLN A 78 -4.695 -9.399 1.552 1.00 0.00 C ATOM 1138 O GLN A 78 -4.511 -9.303 2.766 1.00 0.00 O ATOM 1139 CB GLN A 78 -7.020 -10.290 1.799 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.268 -10.564 0.975 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.424 -11.065 1.817 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.748 -12.253 1.804 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.055 -10.160 2.557 1.00 0.00 N ATOM 0 H GLN A 78 -5.586 -12.327 1.756 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.929 -10.109 -0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.975 -11.002 2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.097 -9.296 2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.567 -9.651 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.037 -11.302 0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.754 -9.186 2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.841 -10.439 3.144 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.029 -8.675 0.660 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.019 -7.703 1.064 1.00 0.00 C ATOM 1154 C LEU A 79 -3.633 -6.317 1.229 1.00 0.00 C ATOM 1155 O LEU A 79 -4.503 -5.915 0.456 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.889 -7.654 0.034 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.904 -8.823 0.062 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.204 -8.612 -0.959 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.320 -8.995 1.457 1.00 0.00 C ATOM 0 H LEU A 79 -4.170 -8.742 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.612 -8.017 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.333 -7.603 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.330 -6.730 0.182 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.443 -9.734 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.896 -9.454 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.229 -8.539 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.741 -7.692 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.379 -9.831 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.204 -8.084 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.124 -9.193 2.166 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.173 -5.588 2.240 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.673 -4.245 2.506 1.00 0.00 C ATOM 1173 C LYS A 80 -2.536 -3.228 2.493 1.00 0.00 C ATOM 1174 O LYS A 80 -1.673 -3.237 3.370 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.393 -4.204 3.855 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.516 -3.183 3.915 1.00 0.00 C ATOM 1177 CD LYS A 80 -6.574 -3.576 4.933 1.00 0.00 C ATOM 1178 CE LYS A 80 -7.653 -4.446 4.307 1.00 0.00 C ATOM 1179 NZ LYS A 80 -8.621 -3.642 3.511 1.00 0.00 N ATOM 0 H LYS A 80 -2.453 -5.906 2.889 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.378 -3.985 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.800 -5.192 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.668 -3.980 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.107 -2.206 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.975 -3.087 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.105 -4.113 5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.027 -2.678 5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.189 -5.195 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.186 -4.984 5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.369 -4.264 3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.045 -2.911 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.126 -3.189 2.717 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.543 -2.352 1.493 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.513 -1.327 1.368 1.00 0.00 C ATOM 1195 C VAL A 81 -2.080 0.059 1.654 1.00 0.00 C ATOM 1196 O VAL A 81 -3.231 0.348 1.332 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.884 -1.332 -0.038 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.418 -0.546 -0.043 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.657 -2.759 -0.514 1.00 0.00 C ATOM 0 H VAL A 81 -3.250 -2.332 0.758 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.743 -1.560 2.103 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.575 -0.848 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.848 -0.561 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.222 0.485 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.119 -0.998 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.212 -2.744 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.014 -3.270 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.610 -3.286 -0.551 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.262 0.913 2.261 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.682 2.270 2.591 1.00 0.00 C ATOM 1211 C ASN A 82 -0.504 3.237 2.518 1.00 0.00 C ATOM 1212 O ASN A 82 0.645 2.849 2.735 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.302 2.308 3.989 1.00 0.00 C ATOM 1214 CG ASN A 82 -1.265 2.514 5.076 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -0.712 3.720 5.146 1.00 0.00 O flip ATOM 1216 ND2 ASN A 82 -0.964 1.600 5.844 1.00 0.00 N flip ATOM 0 H ASN A 82 -0.305 0.689 2.534 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.429 2.580 1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -3.038 3.111 4.036 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.836 1.376 4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.414 0.689 5.754 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.264 1.754 6.570 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.797 4.496 2.212 1.00 0.00 N ATOM 1224 CA ILE A 83 0.238 5.518 2.113 1.00 0.00 C ATOM 1225 C ILE A 83 0.770 5.897 3.491 1.00 0.00 C ATOM 1226 O ILE A 83 0.204 6.750 4.173 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.288 6.785 1.412 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.057 6.410 0.143 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.863 7.724 1.082 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.170 5.915 -0.977 1.00 0.00 C ATOM 0 H ILE A 83 -1.742 4.833 2.028 1.00 0.00 H new ATOM 0 HA ILE A 83 1.046 5.092 1.519 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.970 7.301 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.787 5.638 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.615 7.279 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.476 8.615 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.372 8.012 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.567 7.219 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.783 5.668 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.544 6.693 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.369 5.026 -0.649 1.00 0.00 H new ATOM 1242 N ALA A 84 1.864 5.259 3.892 1.00 0.00 N ATOM 1243 CA ALA A 84 2.476 5.531 5.187 1.00 0.00 C ATOM 1244 C ALA A 84 2.459 7.024 5.499 1.00 0.00 C ATOM 1245 O ALA A 84 2.985 7.833 4.735 1.00 0.00 O ATOM 1246 CB ALA A 84 3.901 5.000 5.219 1.00 0.00 C ATOM 0 H ALA A 84 2.345 4.550 3.339 1.00 0.00 H new ATOM 0 HA ALA A 84 1.892 5.019 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.346 5.210 6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.892 3.923 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.488 5.486 4.439 1.00 0.00 H new ATOM 1252 N ARG A 85 1.850 7.381 6.625 1.00 0.00 N ATOM 1253 CA ARG A 85 1.762 8.777 7.036 1.00 0.00 C ATOM 1254 C ARG A 85 3.145 9.338 7.356 1.00 0.00 C ATOM 1255 O ARG A 85 3.505 10.426 6.907 1.00 0.00 O ATOM 1256 CB ARG A 85 0.849 8.916 8.256 1.00 0.00 C ATOM 1257 CG ARG A 85 -0.631 8.841 7.920 1.00 0.00 C ATOM 1258 CD ARG A 85 -1.483 8.744 9.176 1.00 0.00 C ATOM 1259 NE ARG A 85 -1.751 10.057 9.757 1.00 0.00 N ATOM 1260 CZ ARG A 85 -2.355 10.233 10.927 1.00 0.00 C ATOM 1261 NH1 ARG A 85 -2.751 9.185 11.637 1.00 0.00 N ATOM 1262 NH2 ARG A 85 -2.564 11.459 11.390 1.00 0.00 N ATOM 0 H ARG A 85 1.410 6.723 7.269 1.00 0.00 H new ATOM 0 HA ARG A 85 1.340 9.347 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.091 8.130 8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.054 9.868 8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.921 9.723 7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.818 7.975 7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.427 8.254 8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.976 8.119 9.911 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.458 10.884 9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.592 8.241 11.285 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.215 9.323 12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.261 12.268 10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.028 11.593 12.289 1.00 0.00 H new ATOM 1276 N LYS A 86 3.916 8.587 8.136 1.00 0.00 N ATOM 1277 CA LYS A 86 5.259 9.006 8.516 1.00 0.00 C ATOM 1278 C LYS A 86 6.284 8.554 7.481 1.00 0.00 C ATOM 1279 O LYS A 86 6.715 7.401 7.484 1.00 0.00 O ATOM 1280 CB LYS A 86 5.623 8.439 9.891 1.00 0.00 C ATOM 1281 CG LYS A 86 5.626 6.921 9.941 1.00 0.00 C ATOM 1282 CD LYS A 86 5.440 6.410 11.359 1.00 0.00 C ATOM 1283 CE LYS A 86 6.718 6.547 12.173 1.00 0.00 C ATOM 1284 NZ LYS A 86 6.482 6.297 13.622 1.00 0.00 N ATOM 0 H LYS A 86 3.633 7.684 8.517 1.00 0.00 H new ATOM 0 HA LYS A 86 5.272 10.095 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.609 8.806 10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.916 8.817 10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.829 6.534 9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.566 6.545 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.637 6.965 11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.134 5.364 11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.463 5.845 11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.128 7.548 12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.377 6.400 14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.790 6.983 13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.115 5.333 13.753 1.00 0.00 H new ATOM 1298 N GLN A 87 6.671 9.470 6.599 1.00 0.00 N ATOM 1299 CA GLN A 87 7.646 9.164 5.559 1.00 0.00 C ATOM 1300 C GLN A 87 8.788 10.176 5.568 1.00 0.00 C ATOM 1301 O GLN A 87 8.854 11.082 4.738 1.00 0.00 O ATOM 1302 CB GLN A 87 6.972 9.152 4.186 1.00 0.00 C ATOM 1303 CG GLN A 87 6.355 7.810 3.823 1.00 0.00 C ATOM 1304 CD GLN A 87 5.878 7.757 2.385 1.00 0.00 C ATOM 1305 OE1 GLN A 87 6.544 8.259 1.479 1.00 0.00 O ATOM 1306 NE2 GLN A 87 4.719 7.147 2.168 1.00 0.00 N ATOM 0 H GLN A 87 6.325 10.429 6.584 1.00 0.00 H new ATOM 0 HA GLN A 87 8.058 8.176 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.196 9.917 4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.707 9.422 3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.088 7.021 3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.515 7.609 4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.200 6.745 2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.347 7.080 1.220 1.00 0.00 H new ATOM 1315 N PRO A 88 9.709 10.020 6.531 1.00 0.00 N ATOM 1316 CA PRO A 88 10.865 10.910 6.672 1.00 0.00 C ATOM 1317 C PRO A 88 11.873 10.734 5.542 1.00 0.00 C ATOM 1318 O PRO A 88 11.643 9.970 4.605 1.00 0.00 O ATOM 1319 CB PRO A 88 11.479 10.485 8.008 1.00 0.00 C ATOM 1320 CG PRO A 88 11.054 9.069 8.186 1.00 0.00 C ATOM 1321 CD PRO A 88 9.693 8.962 7.555 1.00 0.00 C ATOM 0 HA PRO A 88 10.578 11.961 6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.565 10.573 7.990 1.00 0.00 H new ATOM 0 HB3 PRO A 88 11.122 11.111 8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.759 8.387 7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.016 8.803 9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.530 7.978 7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.898 9.120 8.284 1.00 0.00 H new ATOM 1329 N MET A 89 12.991 11.447 5.636 1.00 0.00 N ATOM 1330 CA MET A 89 14.036 11.367 4.622 1.00 0.00 C ATOM 1331 C MET A 89 13.442 11.474 3.221 1.00 0.00 C ATOM 1332 O MET A 89 13.883 10.792 2.295 1.00 0.00 O ATOM 1333 CB MET A 89 14.813 10.056 4.760 1.00 0.00 C ATOM 1334 CG MET A 89 15.866 10.087 5.856 1.00 0.00 C ATOM 1335 SD MET A 89 17.445 10.742 5.284 1.00 0.00 S ATOM 1336 CE MET A 89 18.546 10.133 6.558 1.00 0.00 C ATOM 0 H MET A 89 13.196 12.086 6.404 1.00 0.00 H new ATOM 0 HA MET A 89 14.719 12.203 4.774 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.112 9.247 4.964 1.00 0.00 H new ATOM 0 HB3 MET A 89 15.296 9.827 3.810 1.00 0.00 H new ATOM 0 HG2 MET A 89 15.504 10.695 6.685 1.00 0.00 H new ATOM 0 HG3 MET A 89 16.014 9.078 6.241 1.00 0.00 H new ATOM 0 HE1 MET A 89 19.565 10.457 6.344 1.00 0.00 H new ATOM 0 HE2 MET A 89 18.236 10.527 7.526 1.00 0.00 H new ATOM 0 HE3 MET A 89 18.509 9.044 6.581 1.00 0.00 H new ATOM 1346 N LEU A 90 12.440 12.333 3.072 1.00 0.00 N ATOM 1347 CA LEU A 90 11.785 12.529 1.783 1.00 0.00 C ATOM 1348 C LEU A 90 11.918 13.976 1.320 1.00 0.00 C ATOM 1349 O LEU A 90 12.477 14.249 0.258 1.00 0.00 O ATOM 1350 CB LEU A 90 10.308 12.145 1.876 1.00 0.00 C ATOM 1351 CG LEU A 90 9.613 11.825 0.552 1.00 0.00 C ATOM 1352 CD1 LEU A 90 8.405 10.931 0.785 1.00 0.00 C ATOM 1353 CD2 LEU A 90 9.201 13.107 -0.158 1.00 0.00 C ATOM 0 H LEU A 90 12.063 12.905 3.828 1.00 0.00 H new ATOM 0 HA LEU A 90 12.276 11.886 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.219 11.277 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.770 12.962 2.357 1.00 0.00 H new ATOM 0 HG LEU A 90 10.317 11.290 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.923 10.714 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.726 9.999 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.698 11.438 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.708 12.860 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.514 13.669 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.085 13.711 -0.360 1.00 0.00 H new ATOM 1365 N ASP A 91 11.402 14.899 2.124 1.00 0.00 N ATOM 1366 CA ASP A 91 11.465 16.319 1.798 1.00 0.00 C ATOM 1367 C ASP A 91 12.803 16.670 1.154 1.00 0.00 C ATOM 1368 O ASP A 91 12.852 17.376 0.147 1.00 0.00 O ATOM 1369 CB ASP A 91 11.254 17.163 3.056 1.00 0.00 C ATOM 1370 CG ASP A 91 12.291 16.879 4.124 1.00 0.00 C ATOM 1371 OD1 ASP A 91 13.392 17.465 4.053 1.00 0.00 O ATOM 1372 OD2 ASP A 91 12.002 16.072 5.032 1.00 0.00 O ATOM 0 H ASP A 91 10.935 14.689 3.006 1.00 0.00 H new ATOM 0 HA ASP A 91 10.670 16.538 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.289 18.220 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.260 16.968 3.458 1.00 0.00 H new ATOM 1377 N SER A 92 13.886 16.171 1.742 1.00 0.00 N ATOM 1378 CA SER A 92 15.225 16.436 1.229 1.00 0.00 C ATOM 1379 C SER A 92 15.238 16.403 -0.296 1.00 0.00 C ATOM 1380 O SER A 92 15.097 15.345 -0.907 1.00 0.00 O ATOM 1381 CB SER A 92 16.217 15.410 1.781 1.00 0.00 C ATOM 1382 OG SER A 92 15.845 14.093 1.415 1.00 0.00 O ATOM 0 H SER A 92 13.862 15.581 2.574 1.00 0.00 H new ATOM 0 HA SER A 92 15.523 17.432 1.556 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.217 15.627 1.404 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.261 15.490 2.867 1.00 0.00 H new ATOM 0 HG SER A 92 15.470 14.099 0.509 1.00 0.00 H new ATOM 1388 N GLY A 93 15.408 17.573 -0.905 1.00 0.00 N ATOM 1389 CA GLY A 93 15.437 17.658 -2.354 1.00 0.00 C ATOM 1390 C GLY A 93 16.224 18.855 -2.849 1.00 0.00 C ATOM 1391 O GLY A 93 15.667 19.911 -3.148 1.00 0.00 O ATOM 0 H GLY A 93 15.526 18.463 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.875 16.746 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.416 17.717 -2.732 1.00 0.00 H new ATOM 1395 N PRO A 94 17.553 18.697 -2.940 1.00 0.00 N ATOM 1396 CA PRO A 94 18.447 19.764 -3.401 1.00 0.00 C ATOM 1397 C PRO A 94 18.282 20.056 -4.888 1.00 0.00 C ATOM 1398 O PRO A 94 18.431 21.196 -5.327 1.00 0.00 O ATOM 1399 CB PRO A 94 19.843 19.203 -3.118 1.00 0.00 C ATOM 1400 CG PRO A 94 19.668 17.724 -3.132 1.00 0.00 C ATOM 1401 CD PRO A 94 18.285 17.466 -2.600 1.00 0.00 C ATOM 0 HA PRO A 94 18.243 20.711 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 94 20.559 19.524 -3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 94 20.220 19.548 -2.155 1.00 0.00 H new ATOM 0 HG2 PRO A 94 19.778 17.327 -4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 94 20.421 17.236 -2.514 1.00 0.00 H new ATOM 0 HD2 PRO A 94 17.833 16.589 -3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.295 17.289 -1.525 1.00 0.00 H new ATOM 1409 N SER A 95 17.972 19.019 -5.660 1.00 0.00 N ATOM 1410 CA SER A 95 17.790 19.164 -7.099 1.00 0.00 C ATOM 1411 C SER A 95 16.340 18.898 -7.493 1.00 0.00 C ATOM 1412 O SER A 95 15.731 17.928 -7.042 1.00 0.00 O ATOM 1413 CB SER A 95 18.718 18.209 -7.851 1.00 0.00 C ATOM 1414 OG SER A 95 18.337 18.092 -9.211 1.00 0.00 O ATOM 0 H SER A 95 17.842 18.069 -5.312 1.00 0.00 H new ATOM 0 HA SER A 95 18.040 20.190 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 95 19.745 18.570 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 95 18.695 17.227 -7.378 1.00 0.00 H new ATOM 0 HG SER A 95 18.947 17.477 -9.670 1.00 0.00 H new ATOM 1420 N SER A 96 15.794 19.768 -8.337 1.00 0.00 N ATOM 1421 CA SER A 96 14.415 19.630 -8.789 1.00 0.00 C ATOM 1422 C SER A 96 14.107 20.623 -9.906 1.00 0.00 C ATOM 1423 O SER A 96 14.670 21.716 -9.952 1.00 0.00 O ATOM 1424 CB SER A 96 13.449 19.843 -7.622 1.00 0.00 C ATOM 1425 OG SER A 96 13.376 21.213 -7.264 1.00 0.00 O ATOM 0 H SER A 96 16.285 20.575 -8.721 1.00 0.00 H new ATOM 0 HA SER A 96 14.286 18.620 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.458 19.482 -7.896 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.776 19.256 -6.763 1.00 0.00 H new ATOM 0 HG SER A 96 12.751 21.323 -6.517 1.00 0.00 H new ATOM 1431 N GLY A 97 13.210 20.233 -10.806 1.00 0.00 N ATOM 1432 CA GLY A 97 12.843 21.099 -11.911 1.00 0.00 C ATOM 1433 C GLY A 97 12.314 22.441 -11.445 1.00 0.00 C ATOM 1434 O GLY A 97 11.476 22.507 -10.546 1.00 0.00 O ATOM 0 H GLY A 97 12.731 19.333 -10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.712 21.256 -12.549 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.086 20.605 -12.520 1.00 0.00 H new TER 1438 GLY A 97