USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 615 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 15 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 18 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.5) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 0.023 (180deg=0.0079) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 0.529 (180deg=-0.209!) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -0.0395 (180deg=-0.235) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0038) USER MOD Single : A 42 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.12) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.29) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0397 F(o=-0.58,f=-0.04) USER MOD Single : A 57 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.02 X(o=-1,f=-0.85) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.011 22.267 -16.803 1.00 0.00 N ATOM 2 CA SER A 1 -11.375 22.440 -16.292 1.00 0.00 C ATOM 3 C SER A 1 -12.250 21.268 -16.718 1.00 0.00 C ATOM 4 O SER A 1 -12.796 20.588 -15.851 1.00 0.00 O ATOM 5 CB SER A 1 -11.968 23.783 -16.717 1.00 0.00 C ATOM 6 OG SER A 1 -11.205 24.853 -16.185 1.00 0.00 O ATOM 0 H1 SER A 1 -9.424 23.073 -16.506 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.608 21.386 -16.424 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.033 22.219 -17.842 1.00 0.00 H new ATOM 0 HA SER A 1 -11.336 22.450 -15.203 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.990 23.850 -17.805 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.999 23.857 -16.372 1.00 0.00 H new ATOM 0 HG SER A 1 -11.596 25.706 -16.467 1.00 0.00 H new ATOM 12 N ALA A 2 -12.386 20.999 -18.021 1.00 0.00 N ATOM 13 CA ALA A 2 -12.819 19.693 -18.503 1.00 0.00 C ATOM 14 C ALA A 2 -11.758 18.641 -18.126 1.00 0.00 C ATOM 15 O ALA A 2 -10.589 19.013 -17.956 1.00 0.00 O ATOM 16 CB ALA A 2 -12.967 19.763 -20.027 1.00 0.00 C ATOM 0 H ALA A 2 -12.200 21.676 -18.761 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.772 19.415 -18.054 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.291 18.794 -20.406 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.707 20.520 -20.286 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.008 20.026 -20.474 1.00 0.00 H new ATOM 22 N PRO A 3 -12.109 17.347 -18.048 1.00 0.00 N ATOM 23 CA PRO A 3 -11.139 16.264 -17.919 1.00 0.00 C ATOM 24 C PRO A 3 -10.339 16.106 -19.215 1.00 0.00 C ATOM 25 O PRO A 3 -10.691 16.695 -20.244 1.00 0.00 O ATOM 26 CB PRO A 3 -11.974 15.013 -17.623 1.00 0.00 C ATOM 27 CG PRO A 3 -13.288 15.307 -18.340 1.00 0.00 C ATOM 28 CD PRO A 3 -13.457 16.805 -18.113 1.00 0.00 C ATOM 0 HA PRO A 3 -10.410 16.452 -17.131 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.498 14.110 -18.004 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.121 14.868 -16.553 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.236 15.060 -19.400 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.116 14.736 -17.920 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.024 17.262 -18.924 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.003 17.002 -17.191 1.00 0.00 H new ATOM 36 N GLY A 4 -9.290 15.284 -19.164 1.00 0.00 N ATOM 37 CA GLY A 4 -8.595 14.766 -20.331 1.00 0.00 C ATOM 38 C GLY A 4 -8.886 13.275 -20.406 1.00 0.00 C ATOM 39 O GLY A 4 -9.981 12.882 -20.811 1.00 0.00 O ATOM 0 H GLY A 4 -8.894 14.955 -18.284 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.935 15.270 -21.236 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.523 14.945 -20.250 1.00 0.00 H new ATOM 43 N GLY A 5 -7.947 12.450 -19.947 1.00 0.00 N ATOM 44 CA GLY A 5 -8.093 11.008 -19.899 1.00 0.00 C ATOM 45 C GLY A 5 -7.180 10.438 -18.826 1.00 0.00 C ATOM 46 O GLY A 5 -7.410 10.691 -17.640 1.00 0.00 O ATOM 0 H GLY A 5 -7.048 12.778 -19.593 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.129 10.744 -19.687 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.846 10.575 -20.868 1.00 0.00 H new ATOM 50 N LYS A 6 -6.157 9.669 -19.214 1.00 0.00 N ATOM 51 CA LYS A 6 -5.225 9.030 -18.277 1.00 0.00 C ATOM 52 C LYS A 6 -4.465 10.112 -17.517 1.00 0.00 C ATOM 53 O LYS A 6 -3.845 10.968 -18.150 1.00 0.00 O ATOM 54 CB LYS A 6 -4.231 8.121 -19.028 1.00 0.00 C ATOM 55 CG LYS A 6 -4.618 6.635 -19.093 1.00 0.00 C ATOM 56 CD LYS A 6 -5.828 6.279 -19.968 1.00 0.00 C ATOM 57 CE LYS A 6 -7.167 6.563 -19.277 1.00 0.00 C ATOM 58 NZ LYS A 6 -8.298 5.982 -20.018 1.00 0.00 N ATOM 0 H LYS A 6 -5.951 9.471 -20.193 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.790 8.412 -17.579 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.120 8.495 -20.046 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.255 8.205 -18.549 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.757 6.074 -19.457 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.818 6.290 -18.078 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.777 6.846 -20.898 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.779 5.223 -20.235 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.148 6.157 -18.266 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.307 7.640 -19.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.186 6.195 -19.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.332 6.388 -20.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.177 4.951 -20.084 1.00 0.00 H new ATOM 72 N SER A 7 -4.488 10.078 -16.183 1.00 0.00 N ATOM 73 CA SER A 7 -3.743 11.023 -15.364 1.00 0.00 C ATOM 74 C SER A 7 -3.156 10.340 -14.121 1.00 0.00 C ATOM 75 O SER A 7 -3.424 9.160 -13.869 1.00 0.00 O ATOM 76 CB SER A 7 -4.633 12.231 -15.052 1.00 0.00 C ATOM 77 OG SER A 7 -5.689 11.884 -14.171 1.00 0.00 O ATOM 0 H SER A 7 -5.023 9.395 -15.646 1.00 0.00 H new ATOM 0 HA SER A 7 -2.878 11.396 -15.913 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.031 13.023 -14.606 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.047 12.629 -15.979 1.00 0.00 H new ATOM 0 HG SER A 7 -6.238 12.676 -13.990 1.00 0.00 H new ATOM 83 N ARG A 8 -2.329 11.066 -13.356 1.00 0.00 N ATOM 84 CA ARG A 8 -1.415 10.497 -12.365 1.00 0.00 C ATOM 85 C ARG A 8 -1.557 11.195 -11.011 1.00 0.00 C ATOM 86 O ARG A 8 -0.653 11.923 -10.592 1.00 0.00 O ATOM 87 CB ARG A 8 0.013 10.591 -12.943 1.00 0.00 C ATOM 88 CG ARG A 8 1.046 9.549 -12.496 1.00 0.00 C ATOM 89 CD ARG A 8 1.087 9.138 -11.023 1.00 0.00 C ATOM 90 NE ARG A 8 2.182 8.166 -10.815 1.00 0.00 N ATOM 91 CZ ARG A 8 2.171 6.871 -11.175 1.00 0.00 C ATOM 92 NH1 ARG A 8 1.070 6.283 -11.632 1.00 0.00 N ATOM 93 NH2 ARG A 8 3.261 6.121 -11.081 1.00 0.00 N ATOM 0 H ARG A 8 -2.278 12.083 -13.412 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.655 9.451 -12.173 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.063 10.539 -14.029 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.407 11.577 -12.698 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.882 8.647 -13.086 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.033 9.928 -12.761 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.240 10.015 -10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.134 8.697 -10.730 1.00 0.00 H new ATOM 0 HE ARG A 8 3.025 8.511 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.205 6.816 -11.717 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.090 5.299 -11.898 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.129 6.525 -10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.231 5.140 -11.360 1.00 0.00 H new ATOM 107 N ARG A 9 -2.664 10.979 -10.294 1.00 0.00 N ATOM 108 CA ARG A 9 -2.811 11.463 -8.915 1.00 0.00 C ATOM 109 C ARG A 9 -3.334 10.365 -8.000 1.00 0.00 C ATOM 110 O ARG A 9 -4.054 9.465 -8.454 1.00 0.00 O ATOM 111 CB ARG A 9 -3.720 12.707 -8.857 1.00 0.00 C ATOM 112 CG ARG A 9 -3.112 13.934 -9.554 1.00 0.00 C ATOM 113 CD ARG A 9 -4.043 15.148 -9.443 1.00 0.00 C ATOM 114 NE ARG A 9 -3.434 16.341 -10.055 1.00 0.00 N ATOM 115 CZ ARG A 9 -4.073 17.387 -10.592 1.00 0.00 C ATOM 116 NH1 ARG A 9 -5.398 17.454 -10.615 1.00 0.00 N ATOM 117 NH2 ARG A 9 -3.372 18.383 -11.109 1.00 0.00 N ATOM 0 H ARG A 9 -3.475 10.470 -10.646 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.822 11.753 -8.559 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.678 12.471 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.923 12.953 -7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.147 14.170 -9.106 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.929 13.706 -10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.992 14.928 -9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.264 15.346 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.415 16.374 -10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.954 16.697 -10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.861 18.263 -11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.353 18.350 -11.096 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.851 19.184 -11.520 1.00 0.00 H new ATOM 131 N ARG A 10 -3.008 10.468 -6.709 1.00 0.00 N ATOM 132 CA ARG A 10 -3.524 9.688 -5.575 1.00 0.00 C ATOM 133 C ARG A 10 -5.029 9.916 -5.412 1.00 0.00 C ATOM 134 O ARG A 10 -5.465 10.619 -4.501 1.00 0.00 O ATOM 135 CB ARG A 10 -2.776 10.071 -4.272 1.00 0.00 C ATOM 136 CG ARG A 10 -1.421 9.401 -4.012 1.00 0.00 C ATOM 137 CD ARG A 10 -0.478 9.531 -5.200 1.00 0.00 C ATOM 138 NE ARG A 10 0.911 9.195 -4.856 1.00 0.00 N ATOM 139 CZ ARG A 10 2.003 9.624 -5.496 1.00 0.00 C ATOM 140 NH1 ARG A 10 1.894 10.277 -6.648 1.00 0.00 N ATOM 141 NH2 ARG A 10 3.206 9.398 -4.979 1.00 0.00 N ATOM 0 H ARG A 10 -2.320 11.155 -6.402 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.353 8.630 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.623 11.150 -4.277 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.430 9.846 -3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.959 9.849 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.576 8.346 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.818 8.877 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.518 10.551 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 10 1.054 8.578 -4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.973 10.454 -7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.731 10.602 -7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.295 8.898 -4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.040 9.725 -5.466 1.00 0.00 H new ATOM 155 N ARG A 11 -5.837 9.289 -6.264 1.00 0.00 N ATOM 156 CA ARG A 11 -7.292 9.372 -6.219 1.00 0.00 C ATOM 157 C ARG A 11 -7.850 8.122 -5.531 1.00 0.00 C ATOM 158 O ARG A 11 -8.783 7.503 -6.037 1.00 0.00 O ATOM 159 CB ARG A 11 -7.843 9.635 -7.643 1.00 0.00 C ATOM 160 CG ARG A 11 -9.017 10.637 -7.670 1.00 0.00 C ATOM 161 CD ARG A 11 -10.259 10.144 -8.423 1.00 0.00 C ATOM 162 NE ARG A 11 -10.992 9.149 -7.633 1.00 0.00 N ATOM 163 CZ ARG A 11 -11.926 8.296 -8.056 1.00 0.00 C ATOM 164 NH1 ARG A 11 -12.366 8.344 -9.306 1.00 0.00 N ATOM 165 NH2 ARG A 11 -12.399 7.407 -7.194 1.00 0.00 N ATOM 0 H ARG A 11 -5.490 8.698 -7.019 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.626 10.217 -5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.037 10.013 -8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.171 8.691 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.300 10.873 -6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.675 11.565 -8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.911 10.988 -8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.961 9.709 -9.377 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.759 9.104 -6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.990 9.037 -9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.081 7.688 -9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.048 7.388 -6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.114 6.742 -7.488 1.00 0.00 H new ATOM 179 N THR A 12 -7.251 7.686 -4.417 1.00 0.00 N ATOM 180 CA THR A 12 -7.888 6.692 -3.555 1.00 0.00 C ATOM 181 C THR A 12 -9.268 7.211 -3.140 1.00 0.00 C ATOM 182 O THR A 12 -9.482 8.417 -2.993 1.00 0.00 O ATOM 183 CB THR A 12 -7.042 6.400 -2.292 1.00 0.00 C ATOM 184 OG1 THR A 12 -5.980 7.326 -2.147 1.00 0.00 O ATOM 185 CG2 THR A 12 -6.463 4.989 -2.252 1.00 0.00 C ATOM 0 H THR A 12 -6.336 8.003 -4.096 1.00 0.00 H new ATOM 0 HA THR A 12 -7.979 5.760 -4.113 1.00 0.00 H new ATOM 0 HB THR A 12 -7.744 6.499 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.468 7.113 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.883 4.859 -1.338 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.275 4.262 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.817 4.836 -3.116 1.00 0.00 H new ATOM 193 N ALA A 13 -10.188 6.282 -2.905 1.00 0.00 N ATOM 194 CA ALA A 13 -11.524 6.506 -2.375 1.00 0.00 C ATOM 195 C ALA A 13 -11.720 5.826 -1.021 1.00 0.00 C ATOM 196 O ALA A 13 -12.831 5.799 -0.493 1.00 0.00 O ATOM 197 CB ALA A 13 -12.549 6.002 -3.399 1.00 0.00 C ATOM 0 H ALA A 13 -10.009 5.295 -3.091 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.664 7.574 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.556 6.163 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.426 6.546 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.394 4.938 -3.575 1.00 0.00 H new ATOM 203 N PHE A 14 -10.647 5.247 -0.492 1.00 0.00 N ATOM 204 CA PHE A 14 -10.606 4.573 0.796 1.00 0.00 C ATOM 205 C PHE A 14 -10.488 5.595 1.924 1.00 0.00 C ATOM 206 O PHE A 14 -10.366 6.801 1.688 1.00 0.00 O ATOM 207 CB PHE A 14 -9.414 3.615 0.884 1.00 0.00 C ATOM 208 CG PHE A 14 -9.217 2.600 -0.222 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.289 1.874 -0.785 1.00 0.00 C ATOM 210 CD2 PHE A 14 -7.904 2.331 -0.640 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.035 0.869 -1.734 1.00 0.00 C ATOM 212 CE2 PHE A 14 -7.660 1.354 -1.609 1.00 0.00 C ATOM 213 CZ PHE A 14 -8.715 0.589 -2.125 1.00 0.00 C ATOM 0 H PHE A 14 -9.746 5.235 -0.971 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.531 4.005 0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.508 4.218 0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.497 3.069 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.304 2.091 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.079 2.881 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.855 0.312 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.653 1.188 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.514 -0.213 -2.820 1.00 0.00 H new ATOM 223 N THR A 15 -10.472 5.091 3.152 1.00 0.00 N ATOM 224 CA THR A 15 -10.590 5.868 4.369 1.00 0.00 C ATOM 225 C THR A 15 -9.659 5.275 5.431 1.00 0.00 C ATOM 226 O THR A 15 -9.148 4.172 5.239 1.00 0.00 O ATOM 227 CB THR A 15 -12.064 5.867 4.803 1.00 0.00 C ATOM 228 OG1 THR A 15 -12.381 4.594 5.317 1.00 0.00 O ATOM 229 CG2 THR A 15 -13.070 6.199 3.691 1.00 0.00 C ATOM 0 H THR A 15 -10.372 4.091 3.329 1.00 0.00 H new ATOM 0 HA THR A 15 -10.287 6.904 4.217 1.00 0.00 H new ATOM 0 HB THR A 15 -12.156 6.661 5.545 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.319 4.580 5.600 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.082 6.173 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.862 7.194 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.981 5.466 2.889 1.00 0.00 H new ATOM 237 N SER A 16 -9.448 5.966 6.555 1.00 0.00 N ATOM 238 CA SER A 16 -8.553 5.506 7.612 1.00 0.00 C ATOM 239 C SER A 16 -9.055 4.160 8.126 1.00 0.00 C ATOM 240 O SER A 16 -8.274 3.220 8.262 1.00 0.00 O ATOM 241 CB SER A 16 -8.472 6.595 8.696 1.00 0.00 C ATOM 242 OG SER A 16 -8.214 6.091 9.997 1.00 0.00 O ATOM 0 H SER A 16 -9.895 6.861 6.755 1.00 0.00 H new ATOM 0 HA SER A 16 -7.537 5.345 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.687 7.303 8.429 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.410 7.150 8.711 1.00 0.00 H new ATOM 0 HG SER A 16 -8.174 6.835 10.634 1.00 0.00 H new ATOM 248 N GLU A 17 -10.369 4.046 8.327 1.00 0.00 N ATOM 249 CA GLU A 17 -10.981 2.841 8.863 1.00 0.00 C ATOM 250 C GLU A 17 -10.669 1.623 7.987 1.00 0.00 C ATOM 251 O GLU A 17 -10.514 0.504 8.481 1.00 0.00 O ATOM 252 CB GLU A 17 -12.502 3.041 8.965 1.00 0.00 C ATOM 253 CG GLU A 17 -13.009 2.682 10.363 1.00 0.00 C ATOM 254 CD GLU A 17 -14.442 2.163 10.307 1.00 0.00 C ATOM 255 OE1 GLU A 17 -14.633 0.971 9.979 1.00 0.00 O ATOM 256 OE2 GLU A 17 -15.396 2.945 10.536 1.00 0.00 O ATOM 0 H GLU A 17 -11.035 4.791 8.121 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.567 2.655 9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.752 4.077 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.005 2.422 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.361 1.925 10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.961 3.559 11.008 1.00 0.00 H new ATOM 263 N GLN A 18 -10.586 1.850 6.676 1.00 0.00 N ATOM 264 CA GLN A 18 -10.464 0.821 5.660 1.00 0.00 C ATOM 265 C GLN A 18 -9.003 0.557 5.287 1.00 0.00 C ATOM 266 O GLN A 18 -8.732 -0.412 4.571 1.00 0.00 O ATOM 267 CB GLN A 18 -11.261 1.279 4.433 1.00 0.00 C ATOM 268 CG GLN A 18 -12.764 1.396 4.723 1.00 0.00 C ATOM 269 CD GLN A 18 -13.530 2.063 3.587 1.00 0.00 C ATOM 270 OE1 GLN A 18 -14.408 2.896 3.816 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.295 1.642 2.350 1.00 0.00 N ATOM 0 H GLN A 18 -10.603 2.792 6.285 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.858 -0.119 6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.882 2.244 4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.105 0.573 3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.175 0.402 4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.910 1.968 5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.564 0.952 2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.845 2.009 1.573 1.00 0.00 H new ATOM 280 N LEU A 19 -8.064 1.381 5.750 1.00 0.00 N ATOM 281 CA LEU A 19 -6.632 1.238 5.517 1.00 0.00 C ATOM 282 C LEU A 19 -5.930 0.565 6.698 1.00 0.00 C ATOM 283 O LEU A 19 -4.749 0.252 6.574 1.00 0.00 O ATOM 284 CB LEU A 19 -6.024 2.632 5.285 1.00 0.00 C ATOM 285 CG LEU A 19 -6.428 3.248 3.931 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.184 4.756 3.959 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.643 2.638 2.767 1.00 0.00 C ATOM 0 H LEU A 19 -8.291 2.197 6.319 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.488 0.605 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.338 3.298 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.937 2.561 5.336 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.486 3.034 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.470 5.189 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.780 5.206 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.127 4.950 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.960 3.101 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.577 2.812 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.832 1.565 2.723 1.00 0.00 H new ATOM 299 N LEU A 20 -6.625 0.354 7.818 1.00 0.00 N ATOM 300 CA LEU A 20 -6.026 0.056 9.113 1.00 0.00 C ATOM 301 C LEU A 20 -5.345 -1.305 9.063 1.00 0.00 C ATOM 302 O LEU A 20 -4.164 -1.441 9.384 1.00 0.00 O ATOM 303 CB LEU A 20 -7.136 0.074 10.192 1.00 0.00 C ATOM 304 CG LEU A 20 -7.104 1.320 11.094 1.00 0.00 C ATOM 305 CD1 LEU A 20 -8.403 1.413 11.903 1.00 0.00 C ATOM 306 CD2 LEU A 20 -5.925 1.252 12.072 1.00 0.00 C ATOM 0 H LEU A 20 -7.644 0.387 7.846 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.274 0.805 9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.108 0.017 9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.040 -0.816 10.814 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.995 2.196 10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.373 2.298 12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.251 1.484 11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.510 0.523 12.524 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.921 2.143 12.700 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.023 0.366 12.699 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.991 1.199 11.513 1.00 0.00 H new ATOM 318 N GLU A 21 -6.116 -2.302 8.648 1.00 0.00 N ATOM 319 CA GLU A 21 -5.727 -3.695 8.532 1.00 0.00 C ATOM 320 C GLU A 21 -4.908 -3.882 7.256 1.00 0.00 C ATOM 321 O GLU A 21 -4.038 -4.739 7.195 1.00 0.00 O ATOM 322 CB GLU A 21 -6.983 -4.575 8.460 1.00 0.00 C ATOM 323 CG GLU A 21 -7.988 -4.288 9.577 1.00 0.00 C ATOM 324 CD GLU A 21 -7.599 -4.915 10.917 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.479 -4.658 11.421 1.00 0.00 O ATOM 326 OE2 GLU A 21 -8.450 -5.601 11.518 1.00 0.00 O ATOM 0 H GLU A 21 -7.085 -2.147 8.368 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.132 -3.981 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.469 -4.424 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.687 -5.623 8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.083 -3.209 9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.968 -4.662 9.280 1.00 0.00 H new ATOM 333 N LEU A 22 -5.211 -3.117 6.211 1.00 0.00 N ATOM 334 CA LEU A 22 -4.652 -3.218 4.875 1.00 0.00 C ATOM 335 C LEU A 22 -3.177 -2.807 4.857 1.00 0.00 C ATOM 336 O LEU A 22 -2.336 -3.547 4.340 1.00 0.00 O ATOM 337 CB LEU A 22 -5.525 -2.331 3.979 1.00 0.00 C ATOM 338 CG LEU A 22 -5.055 -2.165 2.532 1.00 0.00 C ATOM 339 CD1 LEU A 22 -4.841 -3.460 1.733 1.00 0.00 C ATOM 340 CD2 LEU A 22 -6.060 -1.268 1.803 1.00 0.00 C ATOM 0 H LEU A 22 -5.896 -2.365 6.284 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.662 -4.246 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.534 -2.743 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.590 -1.343 4.434 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.060 -1.724 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.509 -3.214 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.084 -4.071 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.778 -4.015 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.745 -1.135 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.046 -1.733 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.105 -0.297 2.296 1.00 0.00 H new ATOM 352 N GLU A 23 -2.857 -1.635 5.413 1.00 0.00 N ATOM 353 CA GLU A 23 -1.469 -1.204 5.579 1.00 0.00 C ATOM 354 C GLU A 23 -0.731 -2.126 6.551 1.00 0.00 C ATOM 355 O GLU A 23 0.452 -2.404 6.345 1.00 0.00 O ATOM 356 CB GLU A 23 -1.361 0.266 6.039 1.00 0.00 C ATOM 357 CG GLU A 23 -1.474 1.241 4.855 1.00 0.00 C ATOM 358 CD GLU A 23 -0.852 2.623 5.101 1.00 0.00 C ATOM 359 OE1 GLU A 23 0.366 2.731 5.380 1.00 0.00 O ATOM 360 OE2 GLU A 23 -1.513 3.648 4.800 1.00 0.00 O ATOM 0 H GLU A 23 -3.546 -0.966 5.757 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.995 -1.269 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.147 0.480 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.409 0.419 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.995 0.792 3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.528 1.371 4.608 1.00 0.00 H new ATOM 367 N LYS A 24 -1.413 -2.626 7.583 1.00 0.00 N ATOM 368 CA LYS A 24 -0.849 -3.565 8.543 1.00 0.00 C ATOM 369 C LYS A 24 -0.439 -4.857 7.842 1.00 0.00 C ATOM 370 O LYS A 24 0.702 -5.286 7.990 1.00 0.00 O ATOM 371 CB LYS A 24 -1.875 -3.752 9.664 1.00 0.00 C ATOM 372 CG LYS A 24 -1.507 -4.778 10.742 1.00 0.00 C ATOM 373 CD LYS A 24 -2.649 -4.889 11.762 1.00 0.00 C ATOM 374 CE LYS A 24 -2.790 -3.615 12.608 1.00 0.00 C ATOM 375 NZ LYS A 24 -3.997 -3.660 13.449 1.00 0.00 N ATOM 0 H LYS A 24 -2.385 -2.384 7.774 1.00 0.00 H new ATOM 0 HA LYS A 24 0.069 -3.188 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.037 -2.788 10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.824 -4.048 9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.320 -5.749 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.587 -4.479 11.243 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.585 -5.082 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.469 -5.741 12.417 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.909 -3.496 13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.833 -2.745 11.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.195 -2.710 13.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.805 -3.983 12.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.845 -4.319 14.239 1.00 0.00 H new ATOM 389 N GLU A 25 -1.318 -5.433 7.025 1.00 0.00 N ATOM 390 CA GLU A 25 -1.042 -6.630 6.243 1.00 0.00 C ATOM 391 C GLU A 25 0.122 -6.374 5.289 1.00 0.00 C ATOM 392 O GLU A 25 0.960 -7.248 5.094 1.00 0.00 O ATOM 393 CB GLU A 25 -2.299 -7.037 5.443 1.00 0.00 C ATOM 394 CG GLU A 25 -2.587 -8.542 5.475 1.00 0.00 C ATOM 395 CD GLU A 25 -3.267 -8.928 6.791 1.00 0.00 C ATOM 396 OE1 GLU A 25 -2.545 -9.185 7.777 1.00 0.00 O ATOM 397 OE2 GLU A 25 -4.516 -8.882 6.858 1.00 0.00 O ATOM 0 H GLU A 25 -2.261 -5.071 6.887 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.773 -7.441 6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.161 -6.502 5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.178 -6.721 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.226 -8.814 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.657 -9.099 5.362 1.00 0.00 H new ATOM 404 N PHE A 26 0.161 -5.219 4.618 1.00 0.00 N ATOM 405 CA PHE A 26 1.215 -4.904 3.652 1.00 0.00 C ATOM 406 C PHE A 26 2.517 -4.467 4.338 1.00 0.00 C ATOM 407 O PHE A 26 3.530 -4.294 3.661 1.00 0.00 O ATOM 408 CB PHE A 26 0.696 -3.865 2.653 1.00 0.00 C ATOM 409 CG PHE A 26 1.475 -3.759 1.350 1.00 0.00 C ATOM 410 CD1 PHE A 26 1.201 -4.647 0.288 1.00 0.00 C ATOM 411 CD2 PHE A 26 2.462 -2.766 1.185 1.00 0.00 C ATOM 412 CE1 PHE A 26 1.907 -4.535 -0.926 1.00 0.00 C ATOM 413 CE2 PHE A 26 3.173 -2.663 -0.025 1.00 0.00 C ATOM 414 CZ PHE A 26 2.897 -3.546 -1.084 1.00 0.00 C ATOM 0 H PHE A 26 -0.534 -4.480 4.729 1.00 0.00 H new ATOM 0 HA PHE A 26 1.470 -5.810 3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.342 -4.101 2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.699 -2.889 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.449 -5.413 0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.674 -2.080 1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.688 -5.211 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.933 -1.904 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.441 -3.466 -2.013 1.00 0.00 H new ATOM 424 N HIS A 27 2.530 -4.305 5.663 1.00 0.00 N ATOM 425 CA HIS A 27 3.750 -4.116 6.434 1.00 0.00 C ATOM 426 C HIS A 27 4.585 -5.399 6.411 1.00 0.00 C ATOM 427 O HIS A 27 5.815 -5.335 6.466 1.00 0.00 O ATOM 428 CB HIS A 27 3.393 -3.745 7.879 1.00 0.00 C ATOM 429 CG HIS A 27 4.501 -3.051 8.623 1.00 0.00 C ATOM 430 ND1 HIS A 27 5.581 -3.646 9.239 1.00 0.00 N ATOM 431 CD2 HIS A 27 4.585 -1.704 8.839 1.00 0.00 C ATOM 432 CE1 HIS A 27 6.306 -2.670 9.810 1.00 0.00 C ATOM 433 NE2 HIS A 27 5.763 -1.465 9.554 1.00 0.00 N ATOM 0 H HIS A 27 1.683 -4.302 6.232 1.00 0.00 H new ATOM 0 HA HIS A 27 4.334 -3.309 5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.514 -3.100 7.871 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.118 -4.651 8.419 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.872 -0.960 8.516 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.201 -2.830 10.394 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.137 -0.556 9.828 1.00 0.00 H new ATOM 441 N CYS A 28 3.934 -6.562 6.310 1.00 0.00 N ATOM 442 CA CYS A 28 4.572 -7.864 6.448 1.00 0.00 C ATOM 443 C CYS A 28 4.810 -8.543 5.099 1.00 0.00 C ATOM 444 O CYS A 28 5.449 -9.593 5.059 1.00 0.00 O ATOM 445 CB CYS A 28 3.714 -8.736 7.372 1.00 0.00 C ATOM 446 SG CYS A 28 3.494 -7.871 8.957 1.00 0.00 S ATOM 0 H CYS A 28 2.932 -6.620 6.127 1.00 0.00 H new ATOM 0 HA CYS A 28 5.560 -7.724 6.887 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.746 -8.934 6.912 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.194 -9.702 7.532 1.00 0.00 H new ATOM 0 HG CYS A 28 2.766 -8.598 9.751 1.00 0.00 H new ATOM 452 N LYS A 29 4.318 -7.983 3.990 1.00 0.00 N ATOM 453 CA LYS A 29 4.410 -8.640 2.692 1.00 0.00 C ATOM 454 C LYS A 29 4.348 -7.634 1.553 1.00 0.00 C ATOM 455 O LYS A 29 3.428 -6.821 1.473 1.00 0.00 O ATOM 456 CB LYS A 29 3.330 -9.722 2.555 1.00 0.00 C ATOM 457 CG LYS A 29 1.936 -9.241 2.969 1.00 0.00 C ATOM 458 CD LYS A 29 0.845 -9.614 1.963 1.00 0.00 C ATOM 459 CE LYS A 29 0.172 -8.330 1.518 1.00 0.00 C ATOM 460 NZ LYS A 29 -0.700 -7.802 2.583 1.00 0.00 N ATOM 0 H LYS A 29 3.853 -7.076 3.970 1.00 0.00 H new ATOM 0 HA LYS A 29 5.382 -9.130 2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.297 -10.064 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.607 -10.581 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.686 -9.667 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.954 -8.158 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.275 -10.137 1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.120 -10.289 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.928 -7.588 1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.415 -8.514 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.811 -6.775 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.632 -8.259 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.273 -7.999 3.511 1.00 0.00 H new ATOM 474 N LYS A 30 5.326 -7.708 0.651 1.00 0.00 N ATOM 475 CA LYS A 30 5.568 -6.722 -0.403 1.00 0.00 C ATOM 476 C LYS A 30 4.555 -6.742 -1.558 1.00 0.00 C ATOM 477 O LYS A 30 4.657 -5.906 -2.463 1.00 0.00 O ATOM 478 CB LYS A 30 6.991 -6.953 -0.957 1.00 0.00 C ATOM 479 CG LYS A 30 7.870 -5.702 -0.903 1.00 0.00 C ATOM 480 CD LYS A 30 7.346 -4.564 -1.788 1.00 0.00 C ATOM 481 CE LYS A 30 8.286 -3.356 -1.767 1.00 0.00 C ATOM 482 NZ LYS A 30 9.629 -3.674 -2.293 1.00 0.00 N ATOM 0 H LYS A 30 5.993 -8.480 0.633 1.00 0.00 H new ATOM 0 HA LYS A 30 5.454 -5.740 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.470 -7.750 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.921 -7.295 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.934 -5.354 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.882 -5.961 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.234 -4.921 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.356 -4.262 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.850 -2.550 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.377 -2.989 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.153 -2.792 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.145 -4.254 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.537 -4.200 -3.185 1.00 0.00 H new ATOM 496 N TYR A 31 3.636 -7.697 -1.613 1.00 0.00 N ATOM 497 CA TYR A 31 2.801 -7.966 -2.779 1.00 0.00 C ATOM 498 C TYR A 31 1.415 -8.385 -2.306 1.00 0.00 C ATOM 499 O TYR A 31 1.232 -8.665 -1.125 1.00 0.00 O ATOM 500 CB TYR A 31 3.492 -9.029 -3.652 1.00 0.00 C ATOM 501 CG TYR A 31 4.109 -10.192 -2.891 1.00 0.00 C ATOM 502 CD1 TYR A 31 3.301 -11.231 -2.392 1.00 0.00 C ATOM 503 CD2 TYR A 31 5.495 -10.211 -2.640 1.00 0.00 C ATOM 504 CE1 TYR A 31 3.869 -12.280 -1.648 1.00 0.00 C ATOM 505 CE2 TYR A 31 6.068 -11.251 -1.889 1.00 0.00 C ATOM 506 CZ TYR A 31 5.259 -12.296 -1.391 1.00 0.00 C ATOM 507 OH TYR A 31 5.849 -13.287 -0.664 1.00 0.00 O ATOM 0 H TYR A 31 3.445 -8.322 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 31 2.674 -7.077 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.763 -9.425 -4.359 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.273 -8.544 -4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.238 -11.222 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.121 -9.421 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.242 -13.075 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.130 -11.251 -1.692 1.00 0.00 H new ATOM 0 HH TYR A 31 6.812 -13.117 -0.601 1.00 0.00 H new ATOM 517 N LEU A 32 0.428 -8.405 -3.201 1.00 0.00 N ATOM 518 CA LEU A 32 -0.950 -8.756 -2.888 1.00 0.00 C ATOM 519 C LEU A 32 -1.341 -9.903 -3.807 1.00 0.00 C ATOM 520 O LEU A 32 -1.527 -9.728 -5.013 1.00 0.00 O ATOM 521 CB LEU A 32 -1.878 -7.536 -3.018 1.00 0.00 C ATOM 522 CG LEU A 32 -2.996 -7.462 -1.967 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.469 -7.237 -0.544 1.00 0.00 C ATOM 524 CD2 LEU A 32 -3.939 -6.308 -2.310 1.00 0.00 C ATOM 0 H LEU A 32 0.571 -8.172 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.049 -9.077 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.275 -6.630 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.331 -7.546 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.509 -8.424 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.307 -7.194 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.809 -8.059 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.916 -6.298 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.733 -6.254 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.381 -5.372 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.376 -6.475 -3.295 1.00 0.00 H new ATOM 536 N SER A 33 -1.381 -11.088 -3.227 1.00 0.00 N ATOM 537 CA SER A 33 -1.811 -12.337 -3.833 1.00 0.00 C ATOM 538 C SER A 33 -3.300 -12.310 -4.202 1.00 0.00 C ATOM 539 O SER A 33 -3.997 -11.330 -3.937 1.00 0.00 O ATOM 540 CB SER A 33 -1.430 -13.446 -2.846 1.00 0.00 C ATOM 541 OG SER A 33 -0.043 -13.317 -2.563 1.00 0.00 O ATOM 0 H SER A 33 -1.095 -11.213 -2.256 1.00 0.00 H new ATOM 0 HA SER A 33 -1.315 -12.515 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.016 -13.361 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.644 -14.426 -3.272 1.00 0.00 H new ATOM 0 HG SER A 33 0.228 -14.015 -1.931 1.00 0.00 H new ATOM 547 N LEU A 34 -3.791 -13.382 -4.831 1.00 0.00 N ATOM 548 CA LEU A 34 -5.191 -13.523 -5.245 1.00 0.00 C ATOM 549 C LEU A 34 -6.088 -13.451 -4.008 1.00 0.00 C ATOM 550 O LEU A 34 -6.860 -12.507 -3.863 1.00 0.00 O ATOM 551 CB LEU A 34 -5.372 -14.846 -6.012 1.00 0.00 C ATOM 552 CG LEU A 34 -5.047 -14.805 -7.516 1.00 0.00 C ATOM 553 CD1 LEU A 34 -6.152 -14.105 -8.306 1.00 0.00 C ATOM 554 CD2 LEU A 34 -3.706 -14.145 -7.850 1.00 0.00 C ATOM 0 H LEU A 34 -3.217 -14.190 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.475 -12.712 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.742 -15.603 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.405 -15.174 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.976 -15.852 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.891 -14.093 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.092 -14.640 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.263 -13.081 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.553 -14.157 -8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.709 -13.114 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.899 -14.693 -7.363 1.00 0.00 H new ATOM 566 N THR A 35 -5.889 -14.396 -3.090 1.00 0.00 N ATOM 567 CA THR A 35 -6.456 -14.433 -1.750 1.00 0.00 C ATOM 568 C THR A 35 -6.353 -13.065 -1.067 1.00 0.00 C ATOM 569 O THR A 35 -7.364 -12.556 -0.590 1.00 0.00 O ATOM 570 CB THR A 35 -5.795 -15.605 -0.978 1.00 0.00 C ATOM 571 OG1 THR A 35 -6.248 -15.720 0.353 1.00 0.00 O ATOM 572 CG2 THR A 35 -4.260 -15.609 -1.001 1.00 0.00 C ATOM 0 H THR A 35 -5.292 -15.202 -3.277 1.00 0.00 H new ATOM 0 HA THR A 35 -7.528 -14.630 -1.778 1.00 0.00 H new ATOM 0 HB THR A 35 -6.124 -16.480 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.799 -16.475 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.890 -16.464 -0.436 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.912 -15.677 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.887 -14.688 -0.552 1.00 0.00 H new ATOM 580 N GLU A 36 -5.188 -12.420 -1.073 1.00 0.00 N ATOM 581 CA GLU A 36 -4.908 -11.214 -0.309 1.00 0.00 C ATOM 582 C GLU A 36 -5.716 -10.052 -0.858 1.00 0.00 C ATOM 583 O GLU A 36 -6.319 -9.295 -0.098 1.00 0.00 O ATOM 584 CB GLU A 36 -3.414 -10.909 -0.384 1.00 0.00 C ATOM 585 CG GLU A 36 -2.608 -11.587 0.720 1.00 0.00 C ATOM 586 CD GLU A 36 -2.925 -10.928 2.060 1.00 0.00 C ATOM 587 OE1 GLU A 36 -2.361 -9.846 2.321 1.00 0.00 O ATOM 588 OE2 GLU A 36 -3.720 -11.506 2.829 1.00 0.00 O ATOM 0 H GLU A 36 -4.392 -12.735 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.191 -11.366 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.032 -11.229 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.266 -9.831 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.848 -12.650 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.542 -11.508 0.507 1.00 0.00 H new ATOM 595 N ARG A 37 -5.755 -9.918 -2.187 1.00 0.00 N ATOM 596 CA ARG A 37 -6.602 -8.942 -2.832 1.00 0.00 C ATOM 597 C ARG A 37 -8.044 -9.130 -2.373 1.00 0.00 C ATOM 598 O ARG A 37 -8.679 -8.144 -2.005 1.00 0.00 O ATOM 599 CB ARG A 37 -6.406 -9.001 -4.357 1.00 0.00 C ATOM 600 CG ARG A 37 -7.371 -8.092 -5.139 1.00 0.00 C ATOM 601 CD ARG A 37 -8.567 -8.857 -5.728 1.00 0.00 C ATOM 602 NE ARG A 37 -8.300 -9.337 -7.100 1.00 0.00 N ATOM 603 CZ ARG A 37 -9.221 -9.411 -8.075 1.00 0.00 C ATOM 604 NH1 ARG A 37 -10.508 -9.336 -7.769 1.00 0.00 N ATOM 605 NH2 ARG A 37 -8.864 -9.530 -9.349 1.00 0.00 N ATOM 0 H ARG A 37 -5.201 -10.483 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.322 -7.930 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.381 -8.717 -4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.538 -10.030 -4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.738 -7.306 -4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.827 -7.601 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.804 -9.706 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.443 -8.209 -5.736 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.349 -9.633 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.795 -9.223 -6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.211 -9.392 -8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.876 -9.567 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.578 -9.585 -10.076 1.00 0.00 H new ATOM 619 N SER A 38 -8.555 -10.360 -2.387 1.00 0.00 N ATOM 620 CA SER A 38 -9.912 -10.639 -1.946 1.00 0.00 C ATOM 621 C SER A 38 -10.104 -10.468 -0.434 1.00 0.00 C ATOM 622 O SER A 38 -11.239 -10.224 -0.028 1.00 0.00 O ATOM 623 CB SER A 38 -10.294 -12.056 -2.369 1.00 0.00 C ATOM 624 OG SER A 38 -10.211 -12.183 -3.780 1.00 0.00 O ATOM 0 H SER A 38 -8.041 -11.183 -2.703 1.00 0.00 H new ATOM 0 HA SER A 38 -10.566 -9.908 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.631 -12.778 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.306 -12.283 -2.035 1.00 0.00 H new ATOM 0 HG SER A 38 -10.456 -13.095 -4.041 1.00 0.00 H new ATOM 630 N GLN A 39 -9.058 -10.557 0.402 1.00 0.00 N ATOM 631 CA GLN A 39 -9.214 -10.593 1.851 1.00 0.00 C ATOM 632 C GLN A 39 -9.731 -9.240 2.288 1.00 0.00 C ATOM 633 O GLN A 39 -10.855 -9.143 2.774 1.00 0.00 O ATOM 634 CB GLN A 39 -7.910 -10.932 2.606 1.00 0.00 C ATOM 635 CG GLN A 39 -7.427 -12.383 2.481 1.00 0.00 C ATOM 636 CD GLN A 39 -6.995 -12.957 3.828 1.00 0.00 C ATOM 637 OE1 GLN A 39 -7.775 -13.647 4.482 1.00 0.00 O ATOM 638 NE2 GLN A 39 -5.784 -12.673 4.279 1.00 0.00 N ATOM 0 H GLN A 39 -8.089 -10.605 0.088 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.911 -11.393 2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.121 -10.273 2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.054 -10.706 3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.225 -12.997 2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.592 -12.429 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.153 -12.099 3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.481 -13.028 5.186 1.00 0.00 H new ATOM 647 N ILE A 40 -8.931 -8.197 2.067 1.00 0.00 N ATOM 648 CA ILE A 40 -9.333 -6.845 2.406 1.00 0.00 C ATOM 649 C ILE A 40 -10.547 -6.451 1.547 1.00 0.00 C ATOM 650 O ILE A 40 -11.460 -5.809 2.068 1.00 0.00 O ATOM 651 CB ILE A 40 -8.145 -5.865 2.274 1.00 0.00 C ATOM 652 CG1 ILE A 40 -6.980 -6.174 3.248 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.604 -4.438 2.626 1.00 0.00 C ATOM 654 CD1 ILE A 40 -5.903 -7.097 2.665 1.00 0.00 C ATOM 0 H ILE A 40 -8.001 -8.269 1.654 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.639 -6.795 3.451 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.801 -5.967 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.514 -5.236 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.387 -6.632 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.763 -3.751 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.399 -4.133 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.975 -4.418 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.124 -7.263 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.352 -8.051 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.466 -6.633 1.781 1.00 0.00 H new ATOM 666 N ALA A 41 -10.588 -6.824 0.256 1.00 0.00 N ATOM 667 CA ALA A 41 -11.657 -6.390 -0.641 1.00 0.00 C ATOM 668 C ALA A 41 -13.042 -6.877 -0.215 1.00 0.00 C ATOM 669 O ALA A 41 -14.015 -6.223 -0.592 1.00 0.00 O ATOM 670 CB ALA A 41 -11.396 -6.799 -2.093 1.00 0.00 C ATOM 0 H ALA A 41 -9.891 -7.425 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.652 -5.302 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.217 -6.455 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.464 -6.350 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.321 -7.884 -2.157 1.00 0.00 H new ATOM 676 N HIS A 42 -13.159 -7.940 0.588 1.00 0.00 N ATOM 677 CA HIS A 42 -14.438 -8.380 1.149 1.00 0.00 C ATOM 678 C HIS A 42 -14.369 -8.435 2.683 1.00 0.00 C ATOM 679 O HIS A 42 -15.139 -9.162 3.319 1.00 0.00 O ATOM 680 CB HIS A 42 -14.847 -9.699 0.473 1.00 0.00 C ATOM 681 CG HIS A 42 -16.267 -10.154 0.736 1.00 0.00 C ATOM 682 ND1 HIS A 42 -16.636 -11.423 1.117 1.00 0.00 N ATOM 683 CD2 HIS A 42 -17.412 -9.406 0.638 1.00 0.00 C ATOM 684 CE1 HIS A 42 -17.972 -11.449 1.237 1.00 0.00 C ATOM 685 NE2 HIS A 42 -18.496 -10.241 0.950 1.00 0.00 N ATOM 0 H HIS A 42 -12.367 -8.520 0.867 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.229 -7.661 0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.712 -9.592 -0.603 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.166 -10.483 0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -17.469 -8.362 0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -18.547 -12.317 1.524 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -19.483 -9.985 0.958 1.00 0.00 H new ATOM 693 N ALA A 43 -13.446 -7.676 3.291 1.00 0.00 N ATOM 694 CA ALA A 43 -13.370 -7.510 4.727 1.00 0.00 C ATOM 695 C ALA A 43 -14.219 -6.309 5.107 1.00 0.00 C ATOM 696 O ALA A 43 -15.062 -6.445 5.994 1.00 0.00 O ATOM 697 CB ALA A 43 -11.928 -7.306 5.211 1.00 0.00 C ATOM 0 H ALA A 43 -12.729 -7.159 2.782 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.738 -8.417 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.921 -7.186 6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.327 -8.173 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.510 -6.414 4.745 1.00 0.00 H new ATOM 703 N LEU A 44 -13.966 -5.135 4.506 1.00 0.00 N ATOM 704 CA LEU A 44 -14.417 -3.889 5.105 1.00 0.00 C ATOM 705 C LEU A 44 -15.469 -3.197 4.236 1.00 0.00 C ATOM 706 O LEU A 44 -16.652 -3.504 4.374 1.00 0.00 O ATOM 707 CB LEU A 44 -13.180 -3.004 5.366 1.00 0.00 C ATOM 708 CG LEU A 44 -12.177 -3.559 6.400 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.751 -3.464 5.842 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.268 -2.791 7.721 1.00 0.00 C ATOM 0 H LEU A 44 -13.462 -5.032 3.625 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.914 -4.087 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.657 -2.853 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.519 -2.025 5.703 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.426 -4.603 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.046 -3.857 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.680 -4.046 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.512 -2.422 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.551 -3.203 8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.043 -1.739 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.275 -2.884 8.127 1.00 0.00 H new ATOM 722 N LYS A 45 -15.067 -2.353 3.280 1.00 0.00 N ATOM 723 CA LYS A 45 -15.922 -1.464 2.490 1.00 0.00 C ATOM 724 C LYS A 45 -15.297 -1.102 1.126 1.00 0.00 C ATOM 725 O LYS A 45 -15.717 -0.131 0.495 1.00 0.00 O ATOM 726 CB LYS A 45 -16.209 -0.184 3.311 1.00 0.00 C ATOM 727 CG LYS A 45 -16.975 -0.360 4.633 1.00 0.00 C ATOM 728 CD LYS A 45 -16.134 -0.553 5.913 1.00 0.00 C ATOM 729 CE LYS A 45 -16.280 0.560 6.961 1.00 0.00 C ATOM 730 NZ LYS A 45 -17.566 0.523 7.687 1.00 0.00 N ATOM 0 H LYS A 45 -14.083 -2.268 3.024 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.852 -1.990 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.256 0.297 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.774 0.503 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.611 0.514 4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.635 -1.221 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.411 -1.502 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.084 -0.630 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.464 0.480 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.178 1.527 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.597 1.300 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.349 0.628 7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.658 -0.386 8.184 1.00 0.00 H new ATOM 744 N LEU A 46 -14.252 -1.794 0.674 1.00 0.00 N ATOM 745 CA LEU A 46 -13.442 -1.454 -0.500 1.00 0.00 C ATOM 746 C LEU A 46 -14.141 -1.905 -1.796 1.00 0.00 C ATOM 747 O LEU A 46 -15.269 -2.392 -1.751 1.00 0.00 O ATOM 748 CB LEU A 46 -12.050 -2.102 -0.368 1.00 0.00 C ATOM 749 CG LEU A 46 -11.141 -1.513 0.728 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.545 -1.971 2.130 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.711 -1.968 0.448 1.00 0.00 C ATOM 0 H LEU A 46 -13.931 -2.645 1.135 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.324 -0.372 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.182 -3.166 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.537 -2.015 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.233 -0.427 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.873 -1.528 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.568 -1.654 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.483 -3.058 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.045 -1.564 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.666 -3.057 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.400 -1.608 -0.533 1.00 0.00 H new ATOM 763 N SER A 47 -13.484 -1.743 -2.951 1.00 0.00 N ATOM 764 CA SER A 47 -13.896 -2.306 -4.231 1.00 0.00 C ATOM 765 C SER A 47 -12.674 -3.012 -4.817 1.00 0.00 C ATOM 766 O SER A 47 -11.577 -2.443 -4.814 1.00 0.00 O ATOM 767 CB SER A 47 -14.394 -1.179 -5.143 1.00 0.00 C ATOM 768 OG SER A 47 -14.861 -1.645 -6.397 1.00 0.00 O ATOM 0 H SER A 47 -12.624 -1.198 -3.016 1.00 0.00 H new ATOM 0 HA SER A 47 -14.714 -3.018 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.197 -0.641 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.585 -0.466 -5.305 1.00 0.00 H new ATOM 0 HG SER A 47 -15.167 -0.885 -6.935 1.00 0.00 H new ATOM 774 N GLU A 48 -12.862 -4.227 -5.331 1.00 0.00 N ATOM 775 CA GLU A 48 -11.829 -5.102 -5.891 1.00 0.00 C ATOM 776 C GLU A 48 -10.936 -4.355 -6.888 1.00 0.00 C ATOM 777 O GLU A 48 -9.708 -4.477 -6.849 1.00 0.00 O ATOM 778 CB GLU A 48 -12.522 -6.265 -6.620 1.00 0.00 C ATOM 779 CG GLU A 48 -13.166 -7.316 -5.700 1.00 0.00 C ATOM 780 CD GLU A 48 -14.336 -8.055 -6.370 1.00 0.00 C ATOM 781 OE1 GLU A 48 -14.386 -8.136 -7.621 1.00 0.00 O ATOM 782 OE2 GLU A 48 -15.221 -8.559 -5.645 1.00 0.00 O ATOM 0 H GLU A 48 -13.789 -4.651 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.200 -5.462 -5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.292 -5.857 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.791 -6.761 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.410 -8.040 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.522 -6.829 -4.792 1.00 0.00 H new ATOM 789 N VAL A 49 -11.560 -3.588 -7.787 1.00 0.00 N ATOM 790 CA VAL A 49 -10.885 -2.925 -8.897 1.00 0.00 C ATOM 791 C VAL A 49 -9.879 -1.895 -8.384 1.00 0.00 C ATOM 792 O VAL A 49 -8.889 -1.648 -9.060 1.00 0.00 O ATOM 793 CB VAL A 49 -11.926 -2.286 -9.847 1.00 0.00 C ATOM 794 CG1 VAL A 49 -11.237 -1.652 -11.069 1.00 0.00 C ATOM 795 CG2 VAL A 49 -12.947 -3.322 -10.348 1.00 0.00 C ATOM 0 H VAL A 49 -12.564 -3.410 -7.760 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.324 -3.668 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.445 -1.519 -9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.989 -1.209 -11.722 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.545 -0.878 -10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -10.688 -2.419 -11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.662 -2.837 -11.012 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.427 -4.113 -10.889 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.476 -3.752 -9.498 1.00 0.00 H new ATOM 805 N GLN A 50 -10.087 -1.299 -7.210 1.00 0.00 N ATOM 806 CA GLN A 50 -9.129 -0.364 -6.639 1.00 0.00 C ATOM 807 C GLN A 50 -7.978 -1.102 -5.963 1.00 0.00 C ATOM 808 O GLN A 50 -6.822 -0.680 -6.037 1.00 0.00 O ATOM 809 CB GLN A 50 -9.829 0.548 -5.620 1.00 0.00 C ATOM 810 CG GLN A 50 -9.761 2.015 -6.035 1.00 0.00 C ATOM 811 CD GLN A 50 -8.327 2.516 -6.175 1.00 0.00 C ATOM 812 OE1 GLN A 50 -7.802 2.619 -7.278 1.00 0.00 O ATOM 813 NE2 GLN A 50 -7.663 2.822 -5.078 1.00 0.00 N ATOM 0 H GLN A 50 -10.917 -1.451 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.721 0.240 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.872 0.247 -5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.364 0.425 -4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.282 2.146 -6.983 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.285 2.623 -5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.113 2.731 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.699 3.150 -5.140 1.00 0.00 H new ATOM 822 N VAL A 51 -8.292 -2.194 -5.268 1.00 0.00 N ATOM 823 CA VAL A 51 -7.315 -2.928 -4.473 1.00 0.00 C ATOM 824 C VAL A 51 -6.206 -3.437 -5.397 1.00 0.00 C ATOM 825 O VAL A 51 -5.025 -3.351 -5.060 1.00 0.00 O ATOM 826 CB VAL A 51 -8.018 -4.053 -3.674 1.00 0.00 C ATOM 827 CG1 VAL A 51 -7.041 -4.921 -2.871 1.00 0.00 C ATOM 828 CG2 VAL A 51 -9.034 -3.473 -2.680 1.00 0.00 C ATOM 0 H VAL A 51 -9.230 -2.593 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.848 -2.278 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.510 -4.671 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.595 -5.690 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.331 -5.393 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.502 -4.297 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.512 -4.285 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.521 -2.815 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.791 -2.906 -3.222 1.00 0.00 H new ATOM 838 N LYS A 52 -6.561 -3.876 -6.610 1.00 0.00 N ATOM 839 CA LYS A 52 -5.616 -4.330 -7.621 1.00 0.00 C ATOM 840 C LYS A 52 -4.653 -3.250 -8.136 1.00 0.00 C ATOM 841 O LYS A 52 -3.808 -3.562 -8.974 1.00 0.00 O ATOM 842 CB LYS A 52 -6.396 -5.013 -8.747 1.00 0.00 C ATOM 843 CG LYS A 52 -7.069 -4.054 -9.739 1.00 0.00 C ATOM 844 CD LYS A 52 -6.463 -4.084 -11.147 1.00 0.00 C ATOM 845 CE LYS A 52 -7.515 -3.784 -12.221 1.00 0.00 C ATOM 846 NZ LYS A 52 -7.080 -4.331 -13.523 1.00 0.00 N ATOM 0 H LYS A 52 -7.533 -3.924 -6.916 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.946 -5.047 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.717 -5.664 -9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.161 -5.651 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.128 -4.302 -9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.003 -3.039 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.657 -3.353 -11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.021 -5.063 -11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.472 -4.220 -11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.667 -2.708 -12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.799 -4.123 -14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.177 -3.895 -13.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.957 -5.361 -13.443 1.00 0.00 H new ATOM 860 N ILE A 53 -4.765 -1.998 -7.694 1.00 0.00 N ATOM 861 CA ILE A 53 -3.842 -0.914 -8.035 1.00 0.00 C ATOM 862 C ILE A 53 -3.180 -0.360 -6.768 1.00 0.00 C ATOM 863 O ILE A 53 -2.100 0.228 -6.853 1.00 0.00 O ATOM 864 CB ILE A 53 -4.563 0.206 -8.809 1.00 0.00 C ATOM 865 CG1 ILE A 53 -5.333 -0.294 -10.057 1.00 0.00 C ATOM 866 CG2 ILE A 53 -3.556 1.290 -9.249 1.00 0.00 C ATOM 867 CD1 ILE A 53 -6.708 0.372 -10.130 1.00 0.00 C ATOM 0 H ILE A 53 -5.518 -1.701 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.065 -1.319 -8.684 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.298 0.616 -8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.764 -0.070 -10.959 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.447 -1.377 -10.013 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.081 2.074 -9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.076 1.719 -8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.799 0.843 -9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.240 0.013 -11.011 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.280 0.125 -9.235 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.586 1.453 -10.196 1.00 0.00 H new ATOM 879 N TRP A 54 -3.766 -0.540 -5.584 1.00 0.00 N ATOM 880 CA TRP A 54 -3.245 0.051 -4.356 1.00 0.00 C ATOM 881 C TRP A 54 -1.809 -0.400 -4.051 1.00 0.00 C ATOM 882 O TRP A 54 -1.050 0.349 -3.433 1.00 0.00 O ATOM 883 CB TRP A 54 -4.222 -0.262 -3.226 1.00 0.00 C ATOM 884 CG TRP A 54 -3.806 0.156 -1.850 1.00 0.00 C ATOM 885 CD1 TRP A 54 -4.072 1.334 -1.237 1.00 0.00 C ATOM 886 CD2 TRP A 54 -3.058 -0.635 -0.886 1.00 0.00 C ATOM 887 NE1 TRP A 54 -3.585 1.301 0.056 1.00 0.00 N ATOM 888 CE2 TRP A 54 -2.920 0.125 0.309 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.500 -1.931 -0.901 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -2.274 -0.377 1.439 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.854 -2.452 0.235 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.762 -1.684 1.409 1.00 0.00 C ATOM 0 H TRP A 54 -4.610 -1.097 -5.452 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.171 1.132 -4.472 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.174 0.217 -3.455 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.400 -1.337 -3.217 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.585 2.170 -1.689 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.704 2.053 0.735 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.570 -2.531 -1.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.169 0.232 2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.428 -3.444 0.205 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.296 -2.100 2.290 1.00 0.00 H new ATOM 903 N PHE A 55 -1.391 -1.577 -4.524 1.00 0.00 N ATOM 904 CA PHE A 55 0.007 -1.994 -4.453 1.00 0.00 C ATOM 905 C PHE A 55 0.857 -1.323 -5.541 1.00 0.00 C ATOM 906 O PHE A 55 1.937 -0.811 -5.238 1.00 0.00 O ATOM 907 CB PHE A 55 0.141 -3.524 -4.492 1.00 0.00 C ATOM 908 CG PHE A 55 -0.689 -4.235 -5.542 1.00 0.00 C ATOM 909 CD1 PHE A 55 -0.254 -4.308 -6.878 1.00 0.00 C ATOM 910 CD2 PHE A 55 -1.907 -4.829 -5.174 1.00 0.00 C ATOM 911 CE1 PHE A 55 -1.049 -4.964 -7.837 1.00 0.00 C ATOM 912 CE2 PHE A 55 -2.664 -5.537 -6.117 1.00 0.00 C ATOM 913 CZ PHE A 55 -2.238 -5.602 -7.452 1.00 0.00 C ATOM 0 H PHE A 55 -2.008 -2.261 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 55 0.395 -1.658 -3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.189 -3.773 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.132 -3.918 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.686 -3.862 -7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.262 -4.740 -4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.743 -4.976 -8.873 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.575 -6.033 -5.816 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.824 -6.142 -8.182 1.00 0.00 H new ATOM 923 N GLN A 56 0.429 -1.312 -6.811 1.00 0.00 N ATOM 924 CA GLN A 56 1.253 -0.863 -7.916 1.00 0.00 C ATOM 925 C GLN A 56 1.460 0.646 -7.889 1.00 0.00 C ATOM 926 O GLN A 56 2.563 1.119 -8.180 1.00 0.00 O ATOM 927 CB GLN A 56 0.734 -1.422 -9.230 1.00 0.00 C ATOM 928 CG GLN A 56 -0.766 -1.524 -9.322 1.00 0.00 C ATOM 929 CD GLN A 56 -1.130 -1.476 -10.771 1.00 0.00 C ATOM 930 OE1 GLN A 56 -1.057 -0.280 -11.302 1.00 0.00 O flip ATOM 931 NE2 GLN A 56 -1.291 -2.480 -11.450 1.00 0.00 N flip ATOM 0 H GLN A 56 -0.503 -1.617 -7.090 1.00 0.00 H new ATOM 0 HA GLN A 56 2.258 -1.269 -7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.092 -0.792 -10.044 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.162 -2.413 -9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.116 -2.452 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.240 -0.706 -8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.343 -3.395 -11.003 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.373 -2.402 -12.464 1.00 0.00 H new ATOM 940 N ASN A 57 0.441 1.390 -7.455 1.00 0.00 N ATOM 941 CA ASN A 57 0.542 2.836 -7.321 1.00 0.00 C ATOM 942 C ASN A 57 1.412 3.270 -6.142 1.00 0.00 C ATOM 943 O ASN A 57 1.811 4.436 -6.125 1.00 0.00 O ATOM 944 CB ASN A 57 -0.852 3.492 -7.278 1.00 0.00 C ATOM 945 CG ASN A 57 -1.622 3.356 -5.963 1.00 0.00 C ATOM 946 OD1 ASN A 57 -1.081 3.535 -4.877 1.00 0.00 O ATOM 947 ND2 ASN A 57 -2.923 3.155 -6.020 1.00 0.00 N ATOM 0 H ASN A 57 -0.467 1.008 -7.190 1.00 0.00 H new ATOM 0 HA ASN A 57 1.053 3.194 -8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.738 4.553 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.458 3.062 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.476 3.149 -5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.377 3.006 -6.921 1.00 0.00 H new ATOM 954 N ARG A 58 1.734 2.386 -5.180 1.00 0.00 N ATOM 955 CA ARG A 58 2.496 2.839 -4.012 1.00 0.00 C ATOM 956 C ARG A 58 3.987 2.936 -4.302 1.00 0.00 C ATOM 957 O ARG A 58 4.714 3.533 -3.517 1.00 0.00 O ATOM 958 CB ARG A 58 2.270 1.949 -2.771 1.00 0.00 C ATOM 959 CG ARG A 58 2.324 2.835 -1.511 1.00 0.00 C ATOM 960 CD ARG A 58 2.455 2.072 -0.189 1.00 0.00 C ATOM 961 NE ARG A 58 1.876 2.889 0.884 1.00 0.00 N ATOM 962 CZ ARG A 58 2.046 2.800 2.206 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.924 1.991 2.789 1.00 0.00 N ATOM 964 NH2 ARG A 58 1.302 3.595 2.955 1.00 0.00 N ATOM 0 H ARG A 58 1.489 1.396 -5.187 1.00 0.00 H new ATOM 0 HA ARG A 58 2.116 3.836 -3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.306 1.445 -2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.033 1.172 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.167 3.520 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.421 3.444 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.941 1.113 -0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.503 1.858 0.022 1.00 0.00 H new ATOM 0 HE ARG A 58 1.252 3.634 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.519 1.389 2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.003 1.972 3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.639 4.235 2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.391 3.569 3.971 1.00 0.00 H new ATOM 978 N ARG A 59 4.482 2.345 -5.394 1.00 0.00 N ATOM 979 CA ARG A 59 5.912 2.050 -5.520 1.00 0.00 C ATOM 980 C ARG A 59 6.808 3.286 -5.470 1.00 0.00 C ATOM 981 O ARG A 59 7.967 3.159 -5.075 1.00 0.00 O ATOM 982 CB ARG A 59 6.181 1.220 -6.783 1.00 0.00 C ATOM 983 CG ARG A 59 5.571 -0.184 -6.651 1.00 0.00 C ATOM 984 CD ARG A 59 6.008 -1.120 -7.779 1.00 0.00 C ATOM 985 NE ARG A 59 5.457 -0.710 -9.078 1.00 0.00 N ATOM 986 CZ ARG A 59 5.709 -1.329 -10.237 1.00 0.00 C ATOM 987 NH1 ARG A 59 6.398 -2.462 -10.285 1.00 0.00 N ATOM 988 NH2 ARG A 59 5.300 -0.768 -11.363 1.00 0.00 N ATOM 0 H ARG A 59 3.919 2.064 -6.197 1.00 0.00 H new ATOM 0 HA ARG A 59 6.179 1.463 -4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.759 1.725 -7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.255 1.141 -6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.862 -0.614 -5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.484 -0.106 -6.649 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.096 -1.136 -7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.685 -2.136 -7.553 1.00 0.00 H new ATOM 0 HE ARG A 59 4.840 0.102 -9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.750 -2.882 -9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.576 -2.913 -11.182 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.802 0.122 -11.338 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.483 -1.225 -12.256 1.00 0.00 H new ATOM 1002 N ALA A 60 6.297 4.471 -5.803 1.00 0.00 N ATOM 1003 CA ALA A 60 7.089 5.696 -5.753 1.00 0.00 C ATOM 1004 C ALA A 60 7.218 6.274 -4.348 1.00 0.00 C ATOM 1005 O ALA A 60 8.017 7.185 -4.165 1.00 0.00 O ATOM 1006 CB ALA A 60 6.458 6.752 -6.646 1.00 0.00 C ATOM 0 H ALA A 60 5.334 4.607 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 60 8.088 5.428 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.052 7.665 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.423 6.387 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.446 6.963 -6.301 1.00 0.00 H new ATOM 1012 N LYS A 61 6.453 5.792 -3.365 1.00 0.00 N ATOM 1013 CA LYS A 61 6.321 6.406 -2.047 1.00 0.00 C ATOM 1014 C LYS A 61 7.685 6.679 -1.420 1.00 0.00 C ATOM 1015 O LYS A 61 7.974 7.820 -1.071 1.00 0.00 O ATOM 1016 CB LYS A 61 5.375 5.525 -1.213 1.00 0.00 C ATOM 1017 CG LYS A 61 5.157 5.938 0.251 1.00 0.00 C ATOM 1018 CD LYS A 61 6.107 5.253 1.240 1.00 0.00 C ATOM 1019 CE LYS A 61 5.872 5.708 2.685 1.00 0.00 C ATOM 1020 NZ LYS A 61 4.682 5.101 3.329 1.00 0.00 N ATOM 0 H LYS A 61 5.896 4.944 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 61 5.871 7.397 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.404 5.504 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.761 4.506 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.278 7.018 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.129 5.710 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.977 4.173 1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.138 5.467 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.754 5.467 3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.765 6.793 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.593 5.459 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.829 5.351 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.788 4.067 3.349 1.00 0.00 H new ATOM 1034 N TRP A 62 8.534 5.654 -1.338 1.00 0.00 N ATOM 1035 CA TRP A 62 9.891 5.783 -0.812 1.00 0.00 C ATOM 1036 C TRP A 62 10.790 6.554 -1.783 1.00 0.00 C ATOM 1037 O TRP A 62 11.647 7.320 -1.357 1.00 0.00 O ATOM 1038 CB TRP A 62 10.448 4.384 -0.508 1.00 0.00 C ATOM 1039 CG TRP A 62 9.462 3.440 0.125 1.00 0.00 C ATOM 1040 CD1 TRP A 62 9.104 3.421 1.429 1.00 0.00 C ATOM 1041 CD2 TRP A 62 8.643 2.422 -0.521 1.00 0.00 C ATOM 1042 NE1 TRP A 62 8.117 2.475 1.630 1.00 0.00 N ATOM 1043 CE2 TRP A 62 7.789 1.833 0.457 1.00 0.00 C ATOM 1044 CE3 TRP A 62 8.530 1.944 -1.843 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 6.861 0.831 0.136 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 7.613 0.929 -2.172 1.00 0.00 C ATOM 1047 CH2 TRP A 62 6.775 0.375 -1.190 1.00 0.00 C ATOM 0 H TRP A 62 8.298 4.708 -1.636 1.00 0.00 H new ATOM 0 HA TRP A 62 9.867 6.359 0.113 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.809 3.942 -1.436 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.309 4.486 0.153 1.00 0.00 H new ATOM 0 HD1 TRP A 62 9.526 4.051 2.198 1.00 0.00 H new ATOM 0 HE1 TRP A 62 7.686 2.277 2.533 1.00 0.00 H new ATOM 0 HE3 TRP A 62 9.157 2.364 -2.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 6.220 0.415 0.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 7.553 0.572 -3.190 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.068 -0.398 -1.453 1.00 0.00 H new ATOM 1058 N LYS A 63 10.612 6.385 -3.100 1.00 0.00 N ATOM 1059 CA LYS A 63 11.422 7.063 -4.106 1.00 0.00 C ATOM 1060 C LYS A 63 11.203 8.574 -4.095 1.00 0.00 C ATOM 1061 O LYS A 63 12.126 9.288 -4.445 1.00 0.00 O ATOM 1062 CB LYS A 63 11.145 6.470 -5.494 1.00 0.00 C ATOM 1063 CG LYS A 63 12.109 5.334 -5.873 1.00 0.00 C ATOM 1064 CD LYS A 63 11.976 4.092 -4.980 1.00 0.00 C ATOM 1065 CE LYS A 63 12.872 2.984 -5.540 1.00 0.00 C ATOM 1066 NZ LYS A 63 12.699 1.700 -4.834 1.00 0.00 N ATOM 0 H LYS A 63 9.899 5.771 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 63 12.471 6.898 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.122 6.094 -5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.216 7.261 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.930 5.047 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.133 5.704 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.265 4.330 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.939 3.759 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.652 2.844 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.914 3.295 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.328 0.986 -5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.935 1.822 -3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.712 1.386 -4.922 1.00 0.00 H new ATOM 1080 N ARG A 64 10.059 9.089 -3.634 1.00 0.00 N ATOM 1081 CA ARG A 64 9.866 10.513 -3.369 1.00 0.00 C ATOM 1082 C ARG A 64 10.861 11.086 -2.349 1.00 0.00 C ATOM 1083 O ARG A 64 10.861 12.298 -2.157 1.00 0.00 O ATOM 1084 CB ARG A 64 8.413 10.732 -2.926 1.00 0.00 C ATOM 1085 CG ARG A 64 7.723 11.824 -3.749 1.00 0.00 C ATOM 1086 CD ARG A 64 7.908 13.230 -3.148 1.00 0.00 C ATOM 1087 NE ARG A 64 7.257 14.296 -3.928 1.00 0.00 N ATOM 1088 CZ ARG A 64 6.074 14.874 -3.684 1.00 0.00 C ATOM 1089 NH1 ARG A 64 5.251 14.440 -2.733 1.00 0.00 N ATOM 1090 NH2 ARG A 64 5.689 15.903 -4.423 1.00 0.00 N ATOM 0 H ARG A 64 9.235 8.522 -3.433 1.00 0.00 H new ATOM 0 HA ARG A 64 10.065 11.061 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.859 9.799 -3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.392 11.005 -1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.119 11.813 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.658 11.601 -3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.508 13.238 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.974 13.446 -3.072 1.00 0.00 H new ATOM 0 HE ARG A 64 7.764 14.632 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.513 13.639 -2.158 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.358 14.908 -2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.292 16.248 -5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.790 16.350 -4.245 1.00 0.00 H new ATOM 1104 N ILE A 65 11.647 10.254 -1.664 1.00 0.00 N ATOM 1105 CA ILE A 65 12.679 10.658 -0.717 1.00 0.00 C ATOM 1106 C ILE A 65 14.025 10.049 -1.147 1.00 0.00 C ATOM 1107 O ILE A 65 15.054 10.714 -1.027 1.00 0.00 O ATOM 1108 CB ILE A 65 12.242 10.292 0.722 1.00 0.00 C ATOM 1109 CG1 ILE A 65 10.821 10.844 0.988 1.00 0.00 C ATOM 1110 CG2 ILE A 65 13.236 10.875 1.737 1.00 0.00 C ATOM 1111 CD1 ILE A 65 10.288 10.682 2.409 1.00 0.00 C ATOM 0 H ILE A 65 11.577 9.241 -1.760 1.00 0.00 H new ATOM 0 HA ILE A 65 12.816 11.739 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 65 12.229 9.207 0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.814 11.905 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.129 10.351 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 65 12.921 10.613 2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.229 10.467 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 65 13.265 11.960 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.286 11.106 2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 65 10.251 9.623 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.946 11.201 3.106 1.00 0.00 H new ATOM 1123 N LYS A 66 14.024 8.848 -1.737 1.00 0.00 N ATOM 1124 CA LYS A 66 15.187 8.125 -2.257 1.00 0.00 C ATOM 1125 C LYS A 66 15.438 8.477 -3.740 1.00 0.00 C ATOM 1126 O LYS A 66 15.550 7.580 -4.587 1.00 0.00 O ATOM 1127 CB LYS A 66 14.955 6.613 -2.002 1.00 0.00 C ATOM 1128 CG LYS A 66 16.220 5.817 -1.648 1.00 0.00 C ATOM 1129 CD LYS A 66 17.336 5.838 -2.699 1.00 0.00 C ATOM 1130 CE LYS A 66 18.464 4.906 -2.242 1.00 0.00 C ATOM 1131 NZ LYS A 66 19.612 4.891 -3.170 1.00 0.00 N ATOM 0 H LYS A 66 13.159 8.325 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 66 16.101 8.422 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.235 6.502 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.504 6.174 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.621 6.205 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 66 15.936 4.780 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.949 5.516 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.714 6.852 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.806 5.216 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.073 3.894 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.342 4.244 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.297 4.569 -4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.007 5.850 -3.249 1.00 0.00 H new ATOM 1145 N ALA A 67 15.460 9.763 -4.087 1.00 0.00 N ATOM 1146 CA ALA A 67 15.725 10.268 -5.427 1.00 0.00 C ATOM 1147 C ALA A 67 16.497 11.585 -5.348 1.00 0.00 C ATOM 1148 O ALA A 67 17.106 11.912 -4.324 1.00 0.00 O ATOM 1149 CB ALA A 67 14.409 10.380 -6.216 1.00 0.00 C ATOM 0 H ALA A 67 15.286 10.509 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 67 16.358 9.569 -5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 67 14.616 10.758 -7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 67 13.944 9.397 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 67 13.734 11.064 -5.702 1.00 0.00 H new ATOM 1155 N GLY A 68 16.484 12.331 -6.448 1.00 0.00 N ATOM 1156 CA GLY A 68 16.951 13.696 -6.562 1.00 0.00 C ATOM 1157 C GLY A 68 15.841 14.701 -6.258 1.00 0.00 C ATOM 1158 O GLY A 68 15.950 15.860 -6.661 1.00 0.00 O ATOM 0 H GLY A 68 16.125 11.972 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.783 13.854 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.331 13.868 -7.569 1.00 0.00 H new ATOM 1162 N ASN A 69 14.757 14.279 -5.594 1.00 0.00 N ATOM 1163 CA ASN A 69 13.850 15.218 -4.947 1.00 0.00 C ATOM 1164 C ASN A 69 14.320 15.463 -3.518 1.00 0.00 C ATOM 1165 O ASN A 69 15.313 14.891 -3.061 1.00 0.00 O ATOM 1166 CB ASN A 69 12.393 14.721 -4.918 1.00 0.00 C ATOM 1167 CG ASN A 69 11.455 15.914 -5.080 1.00 0.00 C ATOM 1168 OD1 ASN A 69 11.485 16.557 -6.124 1.00 0.00 O ATOM 1169 ND2 ASN A 69 10.678 16.294 -4.079 1.00 0.00 N ATOM 0 H ASN A 69 14.493 13.299 -5.495 1.00 0.00 H new ATOM 0 HA ASN A 69 13.868 16.138 -5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.226 14.000 -5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.189 14.208 -3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.098 17.128 -4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.659 15.753 -3.214 1.00 0.00 H new ATOM 1176 N VAL A 70 13.551 16.261 -2.799 1.00 0.00 N ATOM 1177 CA VAL A 70 13.657 16.583 -1.394 1.00 0.00 C ATOM 1178 C VAL A 70 12.354 17.342 -1.124 1.00 0.00 C ATOM 1179 O VAL A 70 11.960 18.161 -1.958 1.00 0.00 O ATOM 1180 CB VAL A 70 14.970 17.364 -1.145 1.00 0.00 C ATOM 1181 CG1 VAL A 70 15.226 18.453 -2.197 1.00 0.00 C ATOM 1182 CG2 VAL A 70 15.025 17.974 0.255 1.00 0.00 C ATOM 0 H VAL A 70 12.762 16.744 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 70 13.739 15.741 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 70 15.764 16.622 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.160 18.966 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.294 17.996 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.406 19.171 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 70 15.965 18.511 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.192 18.665 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.958 17.181 1.000 1.00 0.00 H new ATOM 1192 N SER A 71 11.676 17.037 -0.014 1.00 0.00 N ATOM 1193 CA SER A 71 10.313 17.493 0.265 1.00 0.00 C ATOM 1194 C SER A 71 9.349 17.000 -0.814 1.00 0.00 C ATOM 1195 O SER A 71 8.235 17.563 -0.933 1.00 0.00 O ATOM 1196 CB SER A 71 10.286 19.019 0.438 1.00 0.00 C ATOM 1197 OG SER A 71 11.263 19.408 1.393 1.00 0.00 O ATOM 0 H SER A 71 12.066 16.456 0.728 1.00 0.00 H new ATOM 0 HA SER A 71 9.973 17.061 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.482 19.507 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.297 19.341 0.763 1.00 0.00 H new ATOM 0 HG SER A 71 11.246 20.382 1.501 1.00 0.00 H new TER 1203 SER A 71