USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 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 98 THR OG1 : rot 53:sc= 0.509 USER MOD Set 1.2: A 102 SER OG : rot 31:sc= 0.402 USER MOD Set 2.1: A 80 SER OG : rot 44:sc= -0.187 USER MOD Set 2.2: A 87 SER OG : rot -154:sc= 1.24 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 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -160:sc= -1 USER MOD Single : A 26 HIS : no HE2:sc= -0.593 X(o=-0.59,f=-0.14) USER MOD Single : A 28 THR OG1 : rot 32:sc= 0.064 USER MOD Single : A 30 GLN : amide:sc= -1.51 X(o=-1.5,f=-2) USER MOD Single : A 32 SER OG : rot 170:sc= 0 USER MOD Single : A 36 THR OG1 : rot -34:sc= 0.3 USER MOD Single : A 37 HIS : no HD1:sc= -5.85! C(o=-5.9!,f=-7.4!) USER MOD Single : A 38 TYR OH : rot 150:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -179:sc= -2.48 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= -1.29 (180deg=-3.62!) USER MOD Single : A 57 GLN : amide:sc= -0.0383 K(o=-0.038,f=-1.4!) USER MOD Single : A 74 TYR OH : rot 180:sc=-0.00487 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.5) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.100 -21.278 -6.978 1.00 0.00 N ATOM 2 CA GLY A 1 -8.780 -21.770 -6.632 1.00 0.00 C ATOM 3 C GLY A 1 -8.033 -22.320 -7.831 1.00 0.00 C ATOM 4 O GLY A 1 -8.526 -23.210 -8.524 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.569 -20.913 -6.125 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.013 -20.514 -7.679 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.665 -22.053 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.200 -20.962 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.873 -22.550 -5.877 1.00 0.00 H new ATOM 8 N SER A 2 -6.840 -21.789 -8.078 1.00 0.00 N ATOM 9 CA SER A 2 -6.025 -22.228 -9.205 1.00 0.00 C ATOM 10 C SER A 2 -5.097 -23.366 -8.793 1.00 0.00 C ATOM 11 O SER A 2 -4.420 -23.290 -7.768 1.00 0.00 O ATOM 12 CB SER A 2 -5.205 -21.059 -9.755 1.00 0.00 C ATOM 13 OG SER A 2 -6.048 -20.044 -10.272 1.00 0.00 O ATOM 0 H SER A 2 -6.416 -21.054 -7.513 1.00 0.00 H new ATOM 0 HA SER A 2 -6.693 -22.592 -9.985 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.577 -20.647 -8.965 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.537 -21.416 -10.539 1.00 0.00 H new ATOM 0 HG SER A 2 -5.500 -19.308 -10.616 1.00 0.00 H new ATOM 19 N SER A 3 -5.072 -24.422 -9.601 1.00 0.00 N ATOM 20 CA SER A 3 -4.230 -25.579 -9.319 1.00 0.00 C ATOM 21 C SER A 3 -2.890 -25.464 -10.040 1.00 0.00 C ATOM 22 O SER A 3 -2.836 -25.382 -11.266 1.00 0.00 O ATOM 23 CB SER A 3 -4.939 -26.867 -9.742 1.00 0.00 C ATOM 24 OG SER A 3 -4.044 -27.966 -9.742 1.00 0.00 O ATOM 0 H SER A 3 -5.624 -24.500 -10.455 1.00 0.00 H new ATOM 0 HA SER A 3 -4.045 -25.609 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.768 -27.069 -9.064 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.365 -26.741 -10.737 1.00 0.00 H new ATOM 0 HG SER A 3 -4.522 -28.777 -10.014 1.00 0.00 H new ATOM 30 N GLY A 4 -1.808 -25.458 -9.266 1.00 0.00 N ATOM 31 CA GLY A 4 -0.482 -25.352 -9.847 1.00 0.00 C ATOM 32 C GLY A 4 0.616 -25.630 -8.839 1.00 0.00 C ATOM 33 O GLY A 4 0.394 -26.318 -7.843 1.00 0.00 O ATOM 0 H GLY A 4 -1.826 -25.525 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.395 -26.053 -10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.348 -24.352 -10.259 1.00 0.00 H new ATOM 37 N SER A 5 1.804 -25.094 -9.098 1.00 0.00 N ATOM 38 CA SER A 5 2.943 -25.292 -8.209 1.00 0.00 C ATOM 39 C SER A 5 2.808 -24.435 -6.954 1.00 0.00 C ATOM 40 O SER A 5 1.943 -23.562 -6.876 1.00 0.00 O ATOM 41 CB SER A 5 4.247 -24.955 -8.933 1.00 0.00 C ATOM 42 OG SER A 5 5.336 -25.679 -8.386 1.00 0.00 O ATOM 0 H SER A 5 2.003 -24.519 -9.917 1.00 0.00 H new ATOM 0 HA SER A 5 2.962 -26.340 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.148 -25.187 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.443 -23.885 -8.857 1.00 0.00 H new ATOM 0 HG SER A 5 6.158 -25.447 -8.867 1.00 0.00 H new ATOM 48 N SER A 6 3.668 -24.691 -5.974 1.00 0.00 N ATOM 49 CA SER A 6 3.644 -23.947 -4.721 1.00 0.00 C ATOM 50 C SER A 6 5.058 -23.726 -4.193 1.00 0.00 C ATOM 51 O SER A 6 5.910 -24.610 -4.277 1.00 0.00 O ATOM 52 CB SER A 6 2.808 -24.690 -3.678 1.00 0.00 C ATOM 53 OG SER A 6 2.969 -24.117 -2.392 1.00 0.00 O ATOM 0 H SER A 6 4.391 -25.409 -6.024 1.00 0.00 H new ATOM 0 HA SER A 6 3.191 -22.975 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.756 -24.661 -3.963 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.103 -25.739 -3.651 1.00 0.00 H new ATOM 0 HG SER A 6 2.423 -24.609 -1.744 1.00 0.00 H new ATOM 59 N GLY A 7 5.301 -22.538 -3.647 1.00 0.00 N ATOM 60 CA GLY A 7 6.612 -22.221 -3.113 1.00 0.00 C ATOM 61 C GLY A 7 6.544 -21.264 -1.939 1.00 0.00 C ATOM 62 O GLY A 7 5.507 -20.663 -1.660 1.00 0.00 O ATOM 0 H GLY A 7 4.613 -21.790 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.105 -23.141 -2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.225 -21.782 -3.900 1.00 0.00 H new ATOM 66 N PRO A 8 7.671 -21.113 -1.228 1.00 0.00 N ATOM 67 CA PRO A 8 7.760 -20.224 -0.065 1.00 0.00 C ATOM 68 C PRO A 8 7.693 -18.752 -0.455 1.00 0.00 C ATOM 69 O PRO A 8 8.691 -18.164 -0.876 1.00 0.00 O ATOM 70 CB PRO A 8 9.130 -20.558 0.532 1.00 0.00 C ATOM 71 CG PRO A 8 9.924 -21.084 -0.613 1.00 0.00 C ATOM 72 CD PRO A 8 8.945 -21.798 -1.503 1.00 0.00 C ATOM 0 HA PRO A 8 6.931 -20.372 0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.599 -19.675 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.045 -21.298 1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.420 -20.274 -1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.704 -21.762 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.225 -21.719 -2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.889 -22.861 -1.267 1.00 0.00 H new ATOM 80 N LEU A 9 6.513 -18.160 -0.311 1.00 0.00 N ATOM 81 CA LEU A 9 6.316 -16.754 -0.648 1.00 0.00 C ATOM 82 C LEU A 9 5.590 -16.021 0.476 1.00 0.00 C ATOM 83 O LEU A 9 4.371 -15.850 0.453 1.00 0.00 O ATOM 84 CB LEU A 9 5.523 -16.627 -1.950 1.00 0.00 C ATOM 85 CG LEU A 9 5.685 -15.310 -2.709 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.141 -15.087 -3.087 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.802 -15.297 -3.949 1.00 0.00 C ATOM 0 H LEU A 9 5.678 -18.631 0.037 1.00 0.00 H new ATOM 0 HA LEU A 9 7.297 -16.297 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.816 -17.443 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.466 -16.765 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 9 5.372 -14.496 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.237 -14.145 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.750 -15.051 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.481 -15.905 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.930 -14.352 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.084 -16.120 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.759 -15.409 -3.654 1.00 0.00 H new ATOM 99 N PRO A 10 6.356 -15.577 1.484 1.00 0.00 N ATOM 100 CA PRO A 10 5.808 -14.853 2.634 1.00 0.00 C ATOM 101 C PRO A 10 5.317 -13.458 2.262 1.00 0.00 C ATOM 102 O PRO A 10 6.078 -12.609 1.797 1.00 0.00 O ATOM 103 CB PRO A 10 6.995 -14.762 3.596 1.00 0.00 C ATOM 104 CG PRO A 10 8.198 -14.847 2.720 1.00 0.00 C ATOM 105 CD PRO A 10 7.816 -15.746 1.577 1.00 0.00 C ATOM 0 HA PRO A 10 4.938 -15.358 3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.979 -13.828 4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.977 -15.572 4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.489 -13.860 2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.050 -15.251 3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.314 -15.454 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.089 -16.783 1.773 1.00 0.00 H new ATOM 113 N PRO A 11 4.015 -13.213 2.469 1.00 0.00 N ATOM 114 CA PRO A 11 3.394 -11.921 2.162 1.00 0.00 C ATOM 115 C PRO A 11 3.853 -10.817 3.109 1.00 0.00 C ATOM 116 O PRO A 11 4.385 -11.075 4.189 1.00 0.00 O ATOM 117 CB PRO A 11 1.899 -12.193 2.344 1.00 0.00 C ATOM 118 CG PRO A 11 1.835 -13.334 3.301 1.00 0.00 C ATOM 119 CD PRO A 11 3.048 -14.177 3.020 1.00 0.00 C ATOM 0 HA PRO A 11 3.659 -11.569 1.165 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.382 -11.317 2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.424 -12.445 1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.836 -12.980 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.919 -13.909 3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.426 -14.652 3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.827 -14.974 2.310 1.00 0.00 H new ATOM 127 N PRO A 12 3.643 -9.558 2.698 1.00 0.00 N ATOM 128 CA PRO A 12 4.028 -8.390 3.496 1.00 0.00 C ATOM 129 C PRO A 12 3.165 -8.230 4.743 1.00 0.00 C ATOM 130 O PRO A 12 1.937 -8.181 4.658 1.00 0.00 O ATOM 131 CB PRO A 12 3.805 -7.217 2.538 1.00 0.00 C ATOM 132 CG PRO A 12 2.773 -7.701 1.580 1.00 0.00 C ATOM 133 CD PRO A 12 3.014 -9.177 1.422 1.00 0.00 C ATOM 0 HA PRO A 12 5.050 -8.468 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.465 -6.329 3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.727 -6.946 2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.769 -7.508 1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.858 -7.187 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.084 -9.720 1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.665 -9.389 0.574 1.00 0.00 H new ATOM 141 N ARG A 13 3.814 -8.149 5.900 1.00 0.00 N ATOM 142 CA ARG A 13 3.105 -7.996 7.165 1.00 0.00 C ATOM 143 C ARG A 13 3.590 -6.758 7.913 1.00 0.00 C ATOM 144 O ARG A 13 2.842 -6.150 8.678 1.00 0.00 O ATOM 145 CB ARG A 13 3.296 -9.239 8.035 1.00 0.00 C ATOM 146 CG ARG A 13 3.096 -8.981 9.519 1.00 0.00 C ATOM 147 CD ARG A 13 3.164 -10.269 10.324 1.00 0.00 C ATOM 148 NE ARG A 13 2.421 -10.172 11.577 1.00 0.00 N ATOM 149 CZ ARG A 13 2.270 -11.185 12.423 1.00 0.00 C ATOM 150 NH1 ARG A 13 2.809 -12.366 12.151 1.00 0.00 N ATOM 151 NH2 ARG A 13 1.580 -11.019 13.544 1.00 0.00 N ATOM 0 H ARG A 13 4.830 -8.187 5.988 1.00 0.00 H new ATOM 0 HA ARG A 13 2.044 -7.875 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.596 -10.009 7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.300 -9.633 7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.859 -8.288 9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.130 -8.502 9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.765 -11.090 9.729 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.206 -10.508 10.538 1.00 0.00 H new ATOM 0 HE ARG A 13 1.994 -9.277 11.816 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.341 -12.498 11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.692 -13.142 12.802 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.164 -10.112 13.757 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.465 -11.798 14.192 1.00 0.00 H new ATOM 165 N ALA A 14 4.848 -6.392 7.688 1.00 0.00 N ATOM 166 CA ALA A 14 5.433 -5.227 8.340 1.00 0.00 C ATOM 167 C ALA A 14 4.974 -3.936 7.670 1.00 0.00 C ATOM 168 O ALA A 14 5.790 -3.080 7.323 1.00 0.00 O ATOM 169 CB ALA A 14 6.951 -5.321 8.325 1.00 0.00 C ATOM 0 H ALA A 14 5.481 -6.886 7.059 1.00 0.00 H new ATOM 0 HA ALA A 14 5.092 -5.210 9.375 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.375 -4.444 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.265 -6.220 8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.303 -5.366 7.294 1.00 0.00 H new ATOM 175 N LEU A 15 3.665 -3.800 7.490 1.00 0.00 N ATOM 176 CA LEU A 15 3.098 -2.613 6.861 1.00 0.00 C ATOM 177 C LEU A 15 2.986 -1.467 7.862 1.00 0.00 C ATOM 178 O LEU A 15 2.369 -1.609 8.918 1.00 0.00 O ATOM 179 CB LEU A 15 1.721 -2.930 6.276 1.00 0.00 C ATOM 180 CG LEU A 15 1.710 -3.802 5.019 1.00 0.00 C ATOM 181 CD1 LEU A 15 2.058 -5.242 5.366 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.355 -3.730 4.331 1.00 0.00 C ATOM 0 H LEU A 15 2.976 -4.498 7.771 1.00 0.00 H new ATOM 0 HA LEU A 15 3.766 -2.305 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.128 -3.427 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.221 -1.989 6.046 1.00 0.00 H new ATOM 0 HG LEU A 15 2.465 -3.423 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.045 -5.848 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.051 -5.279 5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.327 -5.633 6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.366 -4.356 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.419 -4.083 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.145 -2.699 4.047 1.00 0.00 H new ATOM 194 N THR A 16 3.585 -0.330 7.522 1.00 0.00 N ATOM 195 CA THR A 16 3.552 0.840 8.389 1.00 0.00 C ATOM 196 C THR A 16 3.469 2.126 7.574 1.00 0.00 C ATOM 197 O THR A 16 3.969 2.195 6.451 1.00 0.00 O ATOM 198 CB THR A 16 4.794 0.901 9.298 1.00 0.00 C ATOM 199 OG1 THR A 16 4.945 -0.335 10.005 1.00 0.00 O ATOM 200 CG2 THR A 16 4.683 2.049 10.291 1.00 0.00 C ATOM 0 H THR A 16 4.099 -0.195 6.651 1.00 0.00 H new ATOM 0 HA THR A 16 2.661 0.748 9.010 1.00 0.00 H new ATOM 0 HB THR A 16 5.669 1.069 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.738 -0.289 10.579 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.572 2.072 10.922 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.598 2.991 9.750 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.800 1.907 10.914 1.00 0.00 H new ATOM 208 N LEU A 17 2.836 3.144 8.147 1.00 0.00 N ATOM 209 CA LEU A 17 2.688 4.430 7.474 1.00 0.00 C ATOM 210 C LEU A 17 3.938 5.286 7.655 1.00 0.00 C ATOM 211 O LEU A 17 4.153 5.870 8.716 1.00 0.00 O ATOM 212 CB LEU A 17 1.465 5.173 8.013 1.00 0.00 C ATOM 213 CG LEU A 17 0.834 6.199 7.072 1.00 0.00 C ATOM 214 CD1 LEU A 17 -0.051 5.508 6.045 1.00 0.00 C ATOM 215 CD2 LEU A 17 0.036 7.227 7.861 1.00 0.00 C ATOM 0 H LEU A 17 2.417 3.104 9.076 1.00 0.00 H new ATOM 0 HA LEU A 17 2.550 4.241 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.706 4.437 8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.751 5.682 8.934 1.00 0.00 H new ATOM 0 HG LEU A 17 1.633 6.718 6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.492 6.254 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.548 4.812 5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.844 4.963 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.406 7.949 7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.755 6.724 8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.697 7.745 8.557 1.00 0.00 H new ATOM 227 N ALA A 18 4.756 5.357 6.610 1.00 0.00 N ATOM 228 CA ALA A 18 5.982 6.145 6.653 1.00 0.00 C ATOM 229 C ALA A 18 5.686 7.602 6.992 1.00 0.00 C ATOM 230 O ALA A 18 6.397 8.222 7.783 1.00 0.00 O ATOM 231 CB ALA A 18 6.717 6.050 5.324 1.00 0.00 C ATOM 0 H ALA A 18 4.592 4.879 5.724 1.00 0.00 H new ATOM 0 HA ALA A 18 6.619 5.738 7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.630 6.643 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.970 5.009 5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.078 6.430 4.527 1.00 0.00 H new ATOM 237 N ALA A 19 4.633 8.143 6.388 1.00 0.00 N ATOM 238 CA ALA A 19 4.243 9.527 6.628 1.00 0.00 C ATOM 239 C ALA A 19 2.822 9.789 6.140 1.00 0.00 C ATOM 240 O ALA A 19 2.378 9.210 5.149 1.00 0.00 O ATOM 241 CB ALA A 19 5.219 10.476 5.949 1.00 0.00 C ATOM 0 H ALA A 19 4.035 7.644 5.729 1.00 0.00 H new ATOM 0 HA ALA A 19 4.269 9.705 7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.915 11.506 6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.221 10.315 6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.221 10.288 4.875 1.00 0.00 H new ATOM 247 N VAL A 20 2.112 10.666 6.844 1.00 0.00 N ATOM 248 CA VAL A 20 0.741 11.005 6.482 1.00 0.00 C ATOM 249 C VAL A 20 0.642 12.445 5.991 1.00 0.00 C ATOM 250 O VAL A 20 0.754 13.389 6.774 1.00 0.00 O ATOM 251 CB VAL A 20 -0.218 10.813 7.672 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.182 11.715 8.830 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.654 11.080 7.248 1.00 0.00 C ATOM 0 H VAL A 20 2.464 11.154 7.668 1.00 0.00 H new ATOM 0 HA VAL A 20 0.450 10.329 5.678 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.150 9.778 8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.506 11.566 9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.195 11.470 9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.144 12.756 8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.317 10.940 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.742 12.104 6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.933 10.388 6.454 1.00 0.00 H new ATOM 263 N THR A 21 0.431 12.607 4.689 1.00 0.00 N ATOM 264 CA THR A 21 0.317 13.932 4.092 1.00 0.00 C ATOM 265 C THR A 21 -1.038 14.119 3.421 1.00 0.00 C ATOM 266 O THR A 21 -1.543 13.233 2.730 1.00 0.00 O ATOM 267 CB THR A 21 1.429 14.179 3.055 1.00 0.00 C ATOM 268 OG1 THR A 21 2.698 13.790 3.595 1.00 0.00 O ATOM 269 CG2 THR A 21 1.474 15.643 2.647 1.00 0.00 C ATOM 0 H THR A 21 0.336 11.837 4.027 1.00 0.00 H new ATOM 0 HA THR A 21 0.420 14.653 4.903 1.00 0.00 H new ATOM 0 HB THR A 21 1.211 13.579 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.399 13.949 2.929 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.267 15.792 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.517 15.928 2.210 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.670 16.259 3.524 1.00 0.00 H new ATOM 277 N PRO A 22 -1.644 15.298 3.625 1.00 0.00 N ATOM 278 CA PRO A 22 -2.949 15.629 3.046 1.00 0.00 C ATOM 279 C PRO A 22 -2.883 15.814 1.534 1.00 0.00 C ATOM 280 O PRO A 22 -3.855 16.236 0.908 1.00 0.00 O ATOM 281 CB PRO A 22 -3.317 16.947 3.731 1.00 0.00 C ATOM 282 CG PRO A 22 -2.011 17.552 4.115 1.00 0.00 C ATOM 283 CD PRO A 22 -1.100 16.400 4.437 1.00 0.00 C ATOM 0 HA PRO A 22 -3.678 14.834 3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.874 17.600 3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.947 16.777 4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.606 18.154 3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.124 18.212 4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.065 16.620 4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.115 16.161 5.500 1.00 0.00 H new ATOM 291 N ARG A 23 -1.731 15.495 0.953 1.00 0.00 N ATOM 292 CA ARG A 23 -1.538 15.627 -0.486 1.00 0.00 C ATOM 293 C ARG A 23 -1.075 14.307 -1.096 1.00 0.00 C ATOM 294 O ARG A 23 -1.387 13.999 -2.246 1.00 0.00 O ATOM 295 CB ARG A 23 -0.517 16.726 -0.786 1.00 0.00 C ATOM 296 CG ARG A 23 -0.611 17.918 0.152 1.00 0.00 C ATOM 297 CD ARG A 23 0.373 19.011 -0.235 1.00 0.00 C ATOM 298 NE ARG A 23 1.705 18.766 0.310 1.00 0.00 N ATOM 299 CZ ARG A 23 2.718 19.616 0.184 1.00 0.00 C ATOM 300 NH1 ARG A 23 2.551 20.760 -0.464 1.00 0.00 N ATOM 301 NH2 ARG A 23 3.902 19.322 0.708 1.00 0.00 N ATOM 0 H ARG A 23 -0.917 15.143 1.457 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.495 15.898 -0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.486 16.304 -0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.656 17.069 -1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.625 18.317 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.414 17.595 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.432 19.077 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.006 19.973 0.123 1.00 0.00 H new ATOM 0 HE ARG A 23 1.867 17.895 0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.643 20.990 -0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.331 21.411 -0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.034 18.443 1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.679 19.975 0.611 1.00 0.00 H new ATOM 315 N THR A 24 -0.328 13.531 -0.317 1.00 0.00 N ATOM 316 CA THR A 24 0.179 12.245 -0.780 1.00 0.00 C ATOM 317 C THR A 24 0.308 11.257 0.373 1.00 0.00 C ATOM 318 O THR A 24 0.416 11.653 1.534 1.00 0.00 O ATOM 319 CB THR A 24 1.550 12.397 -1.467 1.00 0.00 C ATOM 320 OG1 THR A 24 2.595 12.359 -0.488 1.00 0.00 O ATOM 321 CG2 THR A 24 1.624 13.702 -2.245 1.00 0.00 C ATOM 0 H THR A 24 -0.061 13.771 0.638 1.00 0.00 H new ATOM 0 HA THR A 24 -0.542 11.863 -1.503 1.00 0.00 H new ATOM 0 HB THR A 24 1.676 11.569 -2.165 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.407 12.762 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.601 13.787 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.846 13.715 -3.008 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.478 14.540 -1.564 1.00 0.00 H new ATOM 329 N VAL A 25 0.297 9.968 0.047 1.00 0.00 N ATOM 330 CA VAL A 25 0.415 8.923 1.056 1.00 0.00 C ATOM 331 C VAL A 25 1.623 8.033 0.787 1.00 0.00 C ATOM 332 O VAL A 25 1.807 7.538 -0.326 1.00 0.00 O ATOM 333 CB VAL A 25 -0.852 8.048 1.108 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.682 6.922 2.116 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.071 8.895 1.443 1.00 0.00 C ATOM 0 H VAL A 25 0.207 9.623 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 25 0.543 9.423 2.016 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.006 7.603 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.587 6.315 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.165 6.300 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.503 7.343 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.957 8.261 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.929 9.370 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.202 9.662 0.680 1.00 0.00 H new ATOM 345 N HIS A 26 2.443 7.832 1.813 1.00 0.00 N ATOM 346 CA HIS A 26 3.635 7.000 1.688 1.00 0.00 C ATOM 347 C HIS A 26 3.526 5.760 2.571 1.00 0.00 C ATOM 348 O HIS A 26 3.283 5.861 3.774 1.00 0.00 O ATOM 349 CB HIS A 26 4.883 7.799 2.062 1.00 0.00 C ATOM 350 CG HIS A 26 6.154 7.207 1.536 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.360 7.876 1.553 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.403 5.999 0.978 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.295 7.106 1.026 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.741 5.961 0.670 1.00 0.00 N ATOM 0 H HIS A 26 2.304 8.234 2.740 1.00 0.00 H new ATOM 0 HA HIS A 26 3.717 6.679 0.649 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.781 8.815 1.682 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.947 7.870 3.148 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.507 8.818 1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.684 5.212 0.807 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.336 7.368 0.906 1.00 0.00 H new ATOM 363 N LEU A 27 3.708 4.591 1.966 1.00 0.00 N ATOM 364 CA LEU A 27 3.630 3.331 2.697 1.00 0.00 C ATOM 365 C LEU A 27 4.886 2.494 2.475 1.00 0.00 C ATOM 366 O LEU A 27 5.500 2.547 1.409 1.00 0.00 O ATOM 367 CB LEU A 27 2.394 2.542 2.262 1.00 0.00 C ATOM 368 CG LEU A 27 1.874 1.506 3.259 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.191 2.190 4.433 1.00 0.00 C ATOM 370 CD2 LEU A 27 0.920 0.538 2.574 1.00 0.00 C ATOM 0 H LEU A 27 3.911 4.490 0.971 1.00 0.00 H new ATOM 0 HA LEU A 27 3.552 3.560 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.592 3.249 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.624 2.033 1.326 1.00 0.00 H new ATOM 0 HG LEU A 27 2.723 0.939 3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.828 1.437 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.904 2.841 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.352 2.783 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.560 -0.192 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.074 1.090 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.442 0.022 1.768 1.00 0.00 H new ATOM 382 N THR A 28 5.262 1.720 3.488 1.00 0.00 N ATOM 383 CA THR A 28 6.443 0.870 3.403 1.00 0.00 C ATOM 384 C THR A 28 6.229 -0.445 4.144 1.00 0.00 C ATOM 385 O THR A 28 5.719 -0.461 5.264 1.00 0.00 O ATOM 386 CB THR A 28 7.684 1.575 3.981 1.00 0.00 C ATOM 387 OG1 THR A 28 7.495 1.836 5.376 1.00 0.00 O ATOM 388 CG2 THR A 28 7.956 2.881 3.248 1.00 0.00 C ATOM 0 H THR A 28 4.765 1.664 4.377 1.00 0.00 H new ATOM 0 HA THR A 28 6.609 0.665 2.345 1.00 0.00 H new ATOM 0 HB THR A 28 8.542 0.916 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.934 1.134 5.767 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.837 3.361 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.130 2.676 2.192 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.096 3.543 3.353 1.00 0.00 H new ATOM 396 N TRP A 29 6.621 -1.545 3.512 1.00 0.00 N ATOM 397 CA TRP A 29 6.473 -2.866 4.112 1.00 0.00 C ATOM 398 C TRP A 29 7.761 -3.670 3.984 1.00 0.00 C ATOM 399 O TRP A 29 8.770 -3.167 3.490 1.00 0.00 O ATOM 400 CB TRP A 29 5.317 -3.621 3.453 1.00 0.00 C ATOM 401 CG TRP A 29 5.433 -3.699 1.961 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.131 -4.626 1.241 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.835 -2.814 1.007 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.003 -4.371 -0.103 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.212 -3.265 -0.273 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.016 -1.687 1.110 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.798 -2.626 -1.438 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.606 -1.053 -0.048 1.00 0.00 C ATOM 409 CH2 TRP A 29 3.997 -1.524 -1.308 1.00 0.00 C ATOM 0 H TRP A 29 7.044 -1.549 2.584 1.00 0.00 H new ATOM 0 HA TRP A 29 6.254 -2.734 5.172 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.273 -4.631 3.860 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.378 -3.132 3.712 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.700 -5.440 1.666 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.428 -4.917 -0.853 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.709 -1.318 2.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.098 -2.987 -2.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.974 -0.180 0.020 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.660 -1.007 -2.194 1.00 0.00 H new ATOM 420 N GLN A 30 7.720 -4.921 4.431 1.00 0.00 N ATOM 421 CA GLN A 30 8.886 -5.794 4.365 1.00 0.00 C ATOM 422 C GLN A 30 8.886 -6.607 3.075 1.00 0.00 C ATOM 423 O GLN A 30 7.846 -7.067 2.602 1.00 0.00 O ATOM 424 CB GLN A 30 8.915 -6.733 5.573 1.00 0.00 C ATOM 425 CG GLN A 30 9.676 -6.171 6.763 1.00 0.00 C ATOM 426 CD GLN A 30 11.162 -6.038 6.495 1.00 0.00 C ATOM 427 OE1 GLN A 30 11.868 -7.035 6.342 1.00 0.00 O ATOM 428 NE2 GLN A 30 11.645 -4.802 6.436 1.00 0.00 N ATOM 0 H GLN A 30 6.892 -5.353 4.843 1.00 0.00 H new ATOM 0 HA GLN A 30 9.778 -5.168 4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.891 -6.951 5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.368 -7.679 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.268 -5.194 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.523 -6.819 7.626 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.023 -4.005 6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.638 -4.650 6.258 1.00 0.00 H new ATOM 437 N PRO A 31 10.079 -6.788 2.489 1.00 0.00 N ATOM 438 CA PRO A 31 10.243 -7.546 1.245 1.00 0.00 C ATOM 439 C PRO A 31 10.001 -9.039 1.439 1.00 0.00 C ATOM 440 O PRO A 31 9.816 -9.506 2.563 1.00 0.00 O ATOM 441 CB PRO A 31 11.701 -7.286 0.861 1.00 0.00 C ATOM 442 CG PRO A 31 12.382 -6.973 2.149 1.00 0.00 C ATOM 443 CD PRO A 31 11.359 -6.269 2.997 1.00 0.00 C ATOM 0 HA PRO A 31 9.526 -7.239 0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.145 -8.157 0.380 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.783 -6.457 0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.733 -7.883 2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.255 -6.341 1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.492 -6.493 4.055 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.425 -5.186 2.890 1.00 0.00 H new ATOM 451 N SER A 32 10.004 -9.783 0.337 1.00 0.00 N ATOM 452 CA SER A 32 9.782 -11.223 0.387 1.00 0.00 C ATOM 453 C SER A 32 10.969 -11.976 -0.206 1.00 0.00 C ATOM 454 O SER A 32 11.582 -11.528 -1.174 1.00 0.00 O ATOM 455 CB SER A 32 8.503 -11.589 -0.368 1.00 0.00 C ATOM 456 OG SER A 32 8.479 -12.968 -0.693 1.00 0.00 O ATOM 0 H SER A 32 10.158 -9.412 -0.601 1.00 0.00 H new ATOM 0 HA SER A 32 9.675 -11.514 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.634 -11.341 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.433 -10.996 -1.280 1.00 0.00 H new ATOM 0 HG SER A 32 7.590 -13.210 -1.028 1.00 0.00 H new ATOM 462 N ALA A 33 11.287 -13.124 0.383 1.00 0.00 N ATOM 463 CA ALA A 33 12.399 -13.942 -0.086 1.00 0.00 C ATOM 464 C ALA A 33 12.038 -14.669 -1.377 1.00 0.00 C ATOM 465 O ALA A 33 11.526 -15.787 -1.349 1.00 0.00 O ATOM 466 CB ALA A 33 12.810 -14.939 0.986 1.00 0.00 C ATOM 0 H ALA A 33 10.790 -13.509 1.186 1.00 0.00 H new ATOM 0 HA ALA A 33 13.241 -13.282 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.641 -15.543 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.117 -14.402 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.966 -15.588 1.222 1.00 0.00 H new ATOM 472 N GLY A 34 12.309 -14.026 -2.509 1.00 0.00 N ATOM 473 CA GLY A 34 12.005 -14.627 -3.795 1.00 0.00 C ATOM 474 C GLY A 34 11.231 -13.692 -4.703 1.00 0.00 C ATOM 475 O GLY A 34 11.587 -13.512 -5.867 1.00 0.00 O ATOM 0 H GLY A 34 12.734 -13.100 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.934 -14.918 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.427 -15.538 -3.639 1.00 0.00 H new ATOM 479 N ALA A 35 10.169 -13.098 -4.171 1.00 0.00 N ATOM 480 CA ALA A 35 9.343 -12.176 -4.942 1.00 0.00 C ATOM 481 C ALA A 35 10.166 -11.002 -5.459 1.00 0.00 C ATOM 482 O ALA A 35 10.818 -10.298 -4.686 1.00 0.00 O ATOM 483 CB ALA A 35 8.180 -11.677 -4.098 1.00 0.00 C ATOM 0 H ALA A 35 9.860 -13.238 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 35 8.948 -12.715 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.572 -10.990 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.569 -12.523 -3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.564 -11.160 -3.219 1.00 0.00 H new ATOM 489 N THR A 36 10.134 -10.794 -6.772 1.00 0.00 N ATOM 490 CA THR A 36 10.879 -9.706 -7.392 1.00 0.00 C ATOM 491 C THR A 36 9.968 -8.523 -7.702 1.00 0.00 C ATOM 492 O THR A 36 10.438 -7.442 -8.058 1.00 0.00 O ATOM 493 CB THR A 36 11.565 -10.165 -8.693 1.00 0.00 C ATOM 494 OG1 THR A 36 12.476 -9.158 -9.148 1.00 0.00 O ATOM 495 CG2 THR A 36 10.536 -10.453 -9.776 1.00 0.00 C ATOM 0 H THR A 36 9.600 -11.365 -7.426 1.00 0.00 H new ATOM 0 HA THR A 36 11.641 -9.397 -6.677 1.00 0.00 H new ATOM 0 HB THR A 36 12.114 -11.083 -8.484 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.119 -8.272 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.045 -10.775 -10.685 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.863 -11.241 -9.438 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.962 -9.549 -9.982 1.00 0.00 H new ATOM 503 N HIS A 37 8.663 -8.735 -7.564 1.00 0.00 N ATOM 504 CA HIS A 37 7.687 -7.684 -7.829 1.00 0.00 C ATOM 505 C HIS A 37 6.479 -7.821 -6.906 1.00 0.00 C ATOM 506 O HIS A 37 6.184 -8.909 -6.410 1.00 0.00 O ATOM 507 CB HIS A 37 7.236 -7.733 -9.289 1.00 0.00 C ATOM 508 CG HIS A 37 6.520 -8.998 -9.652 1.00 0.00 C ATOM 509 ND1 HIS A 37 7.030 -10.252 -9.393 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.326 -9.196 -10.258 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.181 -11.168 -9.824 1.00 0.00 C ATOM 512 NE2 HIS A 37 5.139 -10.554 -10.353 1.00 0.00 N ATOM 0 H HIS A 37 8.257 -9.624 -7.271 1.00 0.00 H new ATOM 0 HA HIS A 37 8.163 -6.723 -7.637 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.581 -6.885 -9.487 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.107 -7.620 -9.934 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.647 -8.430 -10.602 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.316 -12.237 -9.755 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.327 -11.013 -10.765 1.00 0.00 H new ATOM 521 N TYR A 38 5.785 -6.711 -6.680 1.00 0.00 N ATOM 522 CA TYR A 38 4.612 -6.706 -5.814 1.00 0.00 C ATOM 523 C TYR A 38 3.474 -5.908 -6.443 1.00 0.00 C ATOM 524 O TYR A 38 3.698 -4.864 -7.058 1.00 0.00 O ATOM 525 CB TYR A 38 4.964 -6.122 -4.445 1.00 0.00 C ATOM 526 CG TYR A 38 6.350 -6.491 -3.968 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.479 -5.916 -4.538 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.531 -7.415 -2.946 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.748 -6.251 -4.105 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.796 -7.755 -2.506 1.00 0.00 C ATOM 531 CZ TYR A 38 8.901 -7.171 -3.089 1.00 0.00 C ATOM 532 OH TYR A 38 10.162 -7.506 -2.654 1.00 0.00 O ATOM 0 H TYR A 38 6.014 -5.803 -7.084 1.00 0.00 H new ATOM 0 HA TYR A 38 4.282 -7.737 -5.687 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.882 -5.036 -4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.233 -6.467 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.363 -5.195 -5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.668 -7.875 -2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.615 -5.795 -4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.919 -8.474 -1.710 1.00 0.00 H new ATOM 0 HH TYR A 38 10.127 -7.747 -1.705 1.00 0.00 H new ATOM 542 N LEU A 39 2.253 -6.405 -6.284 1.00 0.00 N ATOM 543 CA LEU A 39 1.078 -5.739 -6.835 1.00 0.00 C ATOM 544 C LEU A 39 0.476 -4.770 -5.823 1.00 0.00 C ATOM 545 O LEU A 39 0.037 -5.174 -4.746 1.00 0.00 O ATOM 546 CB LEU A 39 0.030 -6.772 -7.254 1.00 0.00 C ATOM 547 CG LEU A 39 -1.132 -6.246 -8.097 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.980 -5.275 -7.291 1.00 0.00 C ATOM 549 CD2 LEU A 39 -0.613 -5.580 -9.364 1.00 0.00 C ATOM 0 H LEU A 39 2.050 -7.267 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 39 1.391 -5.172 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.531 -7.561 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.379 -7.231 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.758 -7.090 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.802 -4.911 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.381 -5.783 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.365 -4.433 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.454 -5.212 -9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.036 -4.746 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.049 -6.305 -9.951 1.00 0.00 H new ATOM 561 N VAL A 40 0.458 -3.488 -6.176 1.00 0.00 N ATOM 562 CA VAL A 40 -0.093 -2.461 -5.299 1.00 0.00 C ATOM 563 C VAL A 40 -1.523 -2.110 -5.695 1.00 0.00 C ATOM 564 O VAL A 40 -1.752 -1.439 -6.701 1.00 0.00 O ATOM 565 CB VAL A 40 0.765 -1.182 -5.325 1.00 0.00 C ATOM 566 CG1 VAL A 40 0.084 -0.067 -4.547 1.00 0.00 C ATOM 567 CG2 VAL A 40 2.153 -1.460 -4.769 1.00 0.00 C ATOM 0 H VAL A 40 0.819 -3.136 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.089 -2.871 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 40 0.872 -0.858 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.705 0.829 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.886 0.149 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.055 -0.378 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.745 -0.545 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.069 -1.809 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.640 -2.225 -5.373 1.00 0.00 H new ATOM 577 N ARG A 41 -2.481 -2.568 -4.897 1.00 0.00 N ATOM 578 CA ARG A 41 -3.890 -2.302 -5.164 1.00 0.00 C ATOM 579 C ARG A 41 -4.360 -1.058 -4.416 1.00 0.00 C ATOM 580 O ARG A 41 -4.493 -1.071 -3.191 1.00 0.00 O ATOM 581 CB ARG A 41 -4.743 -3.506 -4.761 1.00 0.00 C ATOM 582 CG ARG A 41 -6.003 -3.666 -5.595 1.00 0.00 C ATOM 583 CD ARG A 41 -6.583 -5.066 -5.465 1.00 0.00 C ATOM 584 NE ARG A 41 -7.531 -5.166 -4.359 1.00 0.00 N ATOM 585 CZ ARG A 41 -8.807 -4.810 -4.451 1.00 0.00 C ATOM 586 NH1 ARG A 41 -9.286 -4.335 -5.592 1.00 0.00 N ATOM 587 NH2 ARG A 41 -9.608 -4.930 -3.399 1.00 0.00 N ATOM 0 H ARG A 41 -2.308 -3.125 -4.060 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.005 -2.126 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.142 -4.411 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.022 -3.408 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.745 -2.933 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.777 -3.460 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.081 -5.340 -6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.774 -5.781 -5.315 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.195 -5.529 -3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.674 -4.242 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.267 -4.062 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.243 -5.296 -2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.588 -4.656 -3.470 1.00 0.00 H new ATOM 601 N CYS A 42 -4.610 0.014 -5.159 1.00 0.00 N ATOM 602 CA CYS A 42 -5.064 1.267 -4.567 1.00 0.00 C ATOM 603 C CYS A 42 -6.566 1.447 -4.761 1.00 0.00 C ATOM 604 O CYS A 42 -7.031 1.703 -5.872 1.00 0.00 O ATOM 605 CB CYS A 42 -4.312 2.448 -5.181 1.00 0.00 C ATOM 606 SG CYS A 42 -5.055 4.059 -4.832 1.00 0.00 S ATOM 0 H CYS A 42 -4.506 0.041 -6.173 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.856 1.231 -3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.287 2.445 -4.810 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.260 2.310 -6.261 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.346 4.994 -5.392 1.00 0.00 H new ATOM 612 N SER A 43 -7.319 1.312 -3.675 1.00 0.00 N ATOM 613 CA SER A 43 -8.769 1.454 -3.727 1.00 0.00 C ATOM 614 C SER A 43 -9.295 2.118 -2.458 1.00 0.00 C ATOM 615 O SER A 43 -8.816 1.870 -1.352 1.00 0.00 O ATOM 616 CB SER A 43 -9.431 0.088 -3.913 1.00 0.00 C ATOM 617 OG SER A 43 -9.322 -0.353 -5.255 1.00 0.00 O ATOM 0 H SER A 43 -6.949 1.104 -2.748 1.00 0.00 H new ATOM 0 HA SER A 43 -9.017 2.088 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.964 -0.639 -3.249 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.482 0.148 -3.631 1.00 0.00 H new ATOM 0 HG SER A 43 -9.765 -1.222 -5.351 1.00 0.00 H new ATOM 623 N PRO A 44 -10.307 2.985 -2.621 1.00 0.00 N ATOM 624 CA PRO A 44 -10.922 3.703 -1.500 1.00 0.00 C ATOM 625 C PRO A 44 -11.728 2.780 -0.593 1.00 0.00 C ATOM 626 O PRO A 44 -12.261 1.765 -1.040 1.00 0.00 O ATOM 627 CB PRO A 44 -11.842 4.714 -2.189 1.00 0.00 C ATOM 628 CG PRO A 44 -12.155 4.102 -3.511 1.00 0.00 C ATOM 629 CD PRO A 44 -10.928 3.329 -3.911 1.00 0.00 C ATOM 0 HA PRO A 44 -10.176 4.159 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.748 4.885 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.351 5.680 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.023 3.447 -3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.391 4.868 -4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.183 2.438 -4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.261 3.927 -4.532 1.00 0.00 H new ATOM 637 N ALA A 45 -11.815 3.140 0.683 1.00 0.00 N ATOM 638 CA ALA A 45 -12.559 2.346 1.652 1.00 0.00 C ATOM 639 C ALA A 45 -14.061 2.568 1.507 1.00 0.00 C ATOM 640 O ALA A 45 -14.860 1.675 1.787 1.00 0.00 O ATOM 641 CB ALA A 45 -12.109 2.680 3.066 1.00 0.00 C ATOM 0 H ALA A 45 -11.379 3.977 1.070 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.353 1.294 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.674 2.079 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.046 2.463 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.285 3.737 3.263 1.00 0.00 H new ATOM 647 N SER A 46 -14.438 3.765 1.069 1.00 0.00 N ATOM 648 CA SER A 46 -15.844 4.106 0.891 1.00 0.00 C ATOM 649 C SER A 46 -16.314 3.757 -0.517 1.00 0.00 C ATOM 650 O SER A 46 -15.756 4.211 -1.516 1.00 0.00 O ATOM 651 CB SER A 46 -16.068 5.596 1.161 1.00 0.00 C ATOM 652 OG SER A 46 -17.411 5.850 1.535 1.00 0.00 O ATOM 0 H SER A 46 -13.789 4.515 0.831 1.00 0.00 H new ATOM 0 HA SER A 46 -16.426 3.523 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.397 5.930 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.820 6.172 0.269 1.00 0.00 H new ATOM 0 HG SER A 46 -17.528 6.808 1.704 1.00 0.00 H new ATOM 658 N PRO A 47 -17.367 2.930 -0.601 1.00 0.00 N ATOM 659 CA PRO A 47 -17.937 2.501 -1.881 1.00 0.00 C ATOM 660 C PRO A 47 -18.647 3.636 -2.610 1.00 0.00 C ATOM 661 O PRO A 47 -19.100 3.474 -3.743 1.00 0.00 O ATOM 662 CB PRO A 47 -18.938 1.415 -1.478 1.00 0.00 C ATOM 663 CG PRO A 47 -19.310 1.746 -0.074 1.00 0.00 C ATOM 664 CD PRO A 47 -18.082 2.350 0.548 1.00 0.00 C ATOM 0 HA PRO A 47 -17.169 2.156 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.811 1.419 -2.131 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.494 0.422 -1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.146 2.445 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -19.623 0.853 0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -18.338 3.109 1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -17.479 1.599 1.059 1.00 0.00 H new ATOM 672 N LYS A 48 -18.741 4.787 -1.952 1.00 0.00 N ATOM 673 CA LYS A 48 -19.395 5.952 -2.537 1.00 0.00 C ATOM 674 C LYS A 48 -18.478 6.644 -3.540 1.00 0.00 C ATOM 675 O LYS A 48 -18.261 7.853 -3.466 1.00 0.00 O ATOM 676 CB LYS A 48 -19.804 6.937 -1.440 1.00 0.00 C ATOM 677 CG LYS A 48 -21.038 7.754 -1.785 1.00 0.00 C ATOM 678 CD LYS A 48 -21.069 9.067 -1.021 1.00 0.00 C ATOM 679 CE LYS A 48 -21.426 8.852 0.442 1.00 0.00 C ATOM 680 NZ LYS A 48 -20.334 8.164 1.184 1.00 0.00 N ATOM 0 H LYS A 48 -18.372 4.938 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.287 5.611 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.990 6.385 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.973 7.615 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -21.055 7.955 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -21.934 7.177 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.096 9.553 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -21.795 9.739 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -21.633 9.814 0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -22.339 8.261 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.270 8.552 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.537 7.145 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.431 8.313 0.690 1.00 0.00 H new ATOM 694 N GLY A 49 -17.942 5.870 -4.479 1.00 0.00 N ATOM 695 CA GLY A 49 -17.056 6.427 -5.484 1.00 0.00 C ATOM 696 C GLY A 49 -17.253 5.793 -6.846 1.00 0.00 C ATOM 697 O GLY A 49 -17.308 4.569 -6.966 1.00 0.00 O ATOM 0 H GLY A 49 -18.106 4.867 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -17.226 7.501 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.022 6.289 -5.169 1.00 0.00 H new ATOM 701 N GLU A 50 -17.362 6.627 -7.876 1.00 0.00 N ATOM 702 CA GLU A 50 -17.558 6.140 -9.236 1.00 0.00 C ATOM 703 C GLU A 50 -16.282 5.496 -9.771 1.00 0.00 C ATOM 704 O GLU A 50 -16.309 4.380 -10.289 1.00 0.00 O ATOM 705 CB GLU A 50 -17.988 7.285 -10.155 1.00 0.00 C ATOM 706 CG GLU A 50 -18.127 6.877 -11.612 1.00 0.00 C ATOM 707 CD GLU A 50 -18.943 7.867 -12.420 1.00 0.00 C ATOM 708 OE1 GLU A 50 -18.427 8.968 -12.707 1.00 0.00 O ATOM 709 OE2 GLU A 50 -20.098 7.541 -12.766 1.00 0.00 O ATOM 0 H GLU A 50 -17.318 7.643 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.345 5.386 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.941 7.682 -9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.260 8.092 -10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.136 6.782 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.596 5.895 -11.667 1.00 0.00 H new ATOM 716 N GLU A 51 -15.167 6.208 -9.642 1.00 0.00 N ATOM 717 CA GLU A 51 -13.882 5.706 -10.114 1.00 0.00 C ATOM 718 C GLU A 51 -13.695 4.241 -9.730 1.00 0.00 C ATOM 719 O GLU A 51 -14.255 3.773 -8.739 1.00 0.00 O ATOM 720 CB GLU A 51 -12.739 6.545 -9.539 1.00 0.00 C ATOM 721 CG GLU A 51 -12.691 7.963 -10.084 1.00 0.00 C ATOM 722 CD GLU A 51 -11.610 8.802 -9.431 1.00 0.00 C ATOM 723 OE1 GLU A 51 -10.483 8.291 -9.264 1.00 0.00 O ATOM 724 OE2 GLU A 51 -11.890 9.969 -9.087 1.00 0.00 O ATOM 0 H GLU A 51 -15.128 7.133 -9.215 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.869 5.783 -11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.839 6.585 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.792 6.050 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.519 7.929 -11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.659 8.440 -9.930 1.00 0.00 H new ATOM 731 N GLU A 52 -12.906 3.523 -10.523 1.00 0.00 N ATOM 732 CA GLU A 52 -12.647 2.111 -10.266 1.00 0.00 C ATOM 733 C GLU A 52 -11.341 1.929 -9.497 1.00 0.00 C ATOM 734 O GLU A 52 -10.674 2.902 -9.148 1.00 0.00 O ATOM 735 CB GLU A 52 -12.590 1.333 -11.582 1.00 0.00 C ATOM 736 CG GLU A 52 -11.355 1.634 -12.414 1.00 0.00 C ATOM 737 CD GLU A 52 -11.058 0.548 -13.430 1.00 0.00 C ATOM 738 OE1 GLU A 52 -12.014 0.044 -14.056 1.00 0.00 O ATOM 739 OE2 GLU A 52 -9.870 0.202 -13.600 1.00 0.00 O ATOM 0 H GLU A 52 -12.436 3.895 -11.348 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.464 1.722 -9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.620 0.265 -11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.479 1.564 -12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.493 2.583 -12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.496 1.753 -11.753 1.00 0.00 H new ATOM 746 N GLU A 53 -10.984 0.674 -9.238 1.00 0.00 N ATOM 747 CA GLU A 53 -9.759 0.364 -8.510 1.00 0.00 C ATOM 748 C GLU A 53 -8.530 0.625 -9.377 1.00 0.00 C ATOM 749 O GLU A 53 -8.594 0.545 -10.603 1.00 0.00 O ATOM 750 CB GLU A 53 -9.770 -1.094 -8.047 1.00 0.00 C ATOM 751 CG GLU A 53 -8.436 -1.568 -7.496 1.00 0.00 C ATOM 752 CD GLU A 53 -7.534 -2.146 -8.569 1.00 0.00 C ATOM 753 OE1 GLU A 53 -8.061 -2.766 -9.516 1.00 0.00 O ATOM 754 OE2 GLU A 53 -6.301 -1.979 -8.461 1.00 0.00 O ATOM 0 H GLU A 53 -11.525 -0.143 -9.521 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.711 1.015 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.535 -1.217 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.054 -1.730 -8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.930 -0.733 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.611 -2.322 -6.729 1.00 0.00 H new ATOM 761 N ARG A 54 -7.413 0.939 -8.729 1.00 0.00 N ATOM 762 CA ARG A 54 -6.170 1.214 -9.439 1.00 0.00 C ATOM 763 C ARG A 54 -5.101 0.186 -9.081 1.00 0.00 C ATOM 764 O ARG A 54 -4.555 0.203 -7.979 1.00 0.00 O ATOM 765 CB ARG A 54 -5.670 2.622 -9.109 1.00 0.00 C ATOM 766 CG ARG A 54 -4.471 3.052 -9.939 1.00 0.00 C ATOM 767 CD ARG A 54 -4.901 3.747 -11.221 1.00 0.00 C ATOM 768 NE ARG A 54 -5.367 2.799 -12.228 1.00 0.00 N ATOM 769 CZ ARG A 54 -4.553 2.083 -12.996 1.00 0.00 C ATOM 770 NH1 ARG A 54 -3.239 2.208 -12.872 1.00 0.00 N ATOM 771 NH2 ARG A 54 -5.053 1.241 -13.891 1.00 0.00 N ATOM 0 H ARG A 54 -7.343 1.009 -7.714 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.369 1.148 -10.509 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.482 3.332 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.405 2.666 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.843 3.723 -9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.864 2.180 -10.183 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.696 4.459 -10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.064 4.319 -11.622 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.373 2.680 -12.349 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.851 2.855 -12.186 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.616 1.657 -13.463 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.063 1.143 -13.990 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.427 0.692 -14.480 1.00 0.00 H new ATOM 785 N GLU A 55 -4.808 -0.708 -10.021 1.00 0.00 N ATOM 786 CA GLU A 55 -3.805 -1.744 -9.803 1.00 0.00 C ATOM 787 C GLU A 55 -2.498 -1.393 -10.509 1.00 0.00 C ATOM 788 O GLU A 55 -2.473 -1.178 -11.721 1.00 0.00 O ATOM 789 CB GLU A 55 -4.320 -3.096 -10.301 1.00 0.00 C ATOM 790 CG GLU A 55 -3.265 -4.189 -10.293 1.00 0.00 C ATOM 791 CD GLU A 55 -3.856 -5.571 -10.493 1.00 0.00 C ATOM 792 OE1 GLU A 55 -4.962 -5.824 -9.972 1.00 0.00 O ATOM 793 OE2 GLU A 55 -3.212 -6.400 -11.170 1.00 0.00 O ATOM 0 H GLU A 55 -5.251 -0.735 -10.940 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.613 -1.809 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.159 -3.408 -9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.702 -2.979 -11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.537 -3.992 -11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.726 -4.162 -9.346 1.00 0.00 H new ATOM 800 N VAL A 56 -1.415 -1.336 -9.741 1.00 0.00 N ATOM 801 CA VAL A 56 -0.104 -1.012 -10.291 1.00 0.00 C ATOM 802 C VAL A 56 0.972 -1.933 -9.726 1.00 0.00 C ATOM 803 O VAL A 56 0.737 -2.658 -8.761 1.00 0.00 O ATOM 804 CB VAL A 56 0.281 0.450 -9.999 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.557 1.402 -10.839 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.126 0.756 -8.517 1.00 0.00 C ATOM 0 H VAL A 56 -1.419 -1.510 -8.736 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.169 -1.154 -11.370 1.00 0.00 H new ATOM 0 HB VAL A 56 1.328 0.592 -10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.270 2.430 -10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.390 1.197 -11.897 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.612 1.261 -10.605 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.402 1.793 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.910 0.597 -8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.775 0.097 -7.940 1.00 0.00 H new ATOM 816 N GLN A 57 2.153 -1.896 -10.335 1.00 0.00 N ATOM 817 CA GLN A 57 3.266 -2.728 -9.892 1.00 0.00 C ATOM 818 C GLN A 57 4.513 -1.885 -9.650 1.00 0.00 C ATOM 819 O GLN A 57 4.957 -1.147 -10.530 1.00 0.00 O ATOM 820 CB GLN A 57 3.563 -3.813 -10.928 1.00 0.00 C ATOM 821 CG GLN A 57 2.768 -5.092 -10.715 1.00 0.00 C ATOM 822 CD GLN A 57 2.863 -6.041 -11.894 1.00 0.00 C ATOM 823 OE1 GLN A 57 3.233 -5.642 -12.999 1.00 0.00 O ATOM 824 NE2 GLN A 57 2.527 -7.305 -11.665 1.00 0.00 N ATOM 0 H GLN A 57 2.364 -1.300 -11.135 1.00 0.00 H new ATOM 0 HA GLN A 57 2.981 -3.201 -8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.348 -3.423 -11.923 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.627 -4.048 -10.901 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.130 -5.595 -9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.722 -4.840 -10.539 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.226 -7.592 -10.734 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.570 -7.989 -12.420 1.00 0.00 H new ATOM 833 N VAL A 58 5.075 -1.998 -8.450 1.00 0.00 N ATOM 834 CA VAL A 58 6.272 -1.247 -8.092 1.00 0.00 C ATOM 835 C VAL A 58 7.452 -2.179 -7.842 1.00 0.00 C ATOM 836 O VAL A 58 7.278 -3.310 -7.391 1.00 0.00 O ATOM 837 CB VAL A 58 6.038 -0.384 -6.838 1.00 0.00 C ATOM 838 CG1 VAL A 58 4.899 0.596 -7.068 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.758 -1.266 -5.630 1.00 0.00 C ATOM 0 H VAL A 58 4.720 -2.603 -7.709 1.00 0.00 H new ATOM 0 HA VAL A 58 6.501 -0.595 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 58 6.943 0.190 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.749 1.197 -6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.145 1.249 -7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.985 0.046 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.595 -0.640 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.868 -1.868 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.610 -1.923 -5.454 1.00 0.00 H new ATOM 849 N GLY A 59 8.654 -1.695 -8.139 1.00 0.00 N ATOM 850 CA GLY A 59 9.847 -2.498 -7.940 1.00 0.00 C ATOM 851 C GLY A 59 10.397 -2.379 -6.533 1.00 0.00 C ATOM 852 O GLY A 59 11.502 -2.842 -6.250 1.00 0.00 O ATOM 0 H GLY A 59 8.823 -0.762 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.617 -3.543 -8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.612 -2.190 -8.653 1.00 0.00 H new ATOM 856 N ARG A 60 9.626 -1.756 -5.648 1.00 0.00 N ATOM 857 CA ARG A 60 10.044 -1.574 -4.263 1.00 0.00 C ATOM 858 C ARG A 60 8.861 -1.732 -3.313 1.00 0.00 C ATOM 859 O ARG A 60 7.717 -1.428 -3.651 1.00 0.00 O ATOM 860 CB ARG A 60 10.682 -0.197 -4.077 1.00 0.00 C ATOM 861 CG ARG A 60 10.131 0.862 -5.018 1.00 0.00 C ATOM 862 CD ARG A 60 10.922 0.920 -6.316 1.00 0.00 C ATOM 863 NE ARG A 60 12.166 1.671 -6.165 1.00 0.00 N ATOM 864 CZ ARG A 60 12.921 2.055 -7.189 1.00 0.00 C ATOM 865 NH1 ARG A 60 12.560 1.760 -8.430 1.00 0.00 N ATOM 866 NH2 ARG A 60 14.039 2.735 -6.971 1.00 0.00 N ATOM 0 H ARG A 60 8.708 -1.368 -5.866 1.00 0.00 H new ATOM 0 HA ARG A 60 10.781 -2.342 -4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.529 0.129 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.758 -0.281 -4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.085 0.647 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.160 1.836 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.148 -0.093 -6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.312 1.382 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 60 12.472 1.914 -5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.701 1.237 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.141 2.056 -9.214 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.319 2.963 -6.017 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.618 3.030 -7.757 1.00 0.00 H new ATOM 880 N PRO A 61 9.141 -2.217 -2.094 1.00 0.00 N ATOM 881 CA PRO A 61 8.113 -2.426 -1.070 1.00 0.00 C ATOM 882 C PRO A 61 7.561 -1.112 -0.527 1.00 0.00 C ATOM 883 O PRO A 61 6.716 -1.106 0.368 1.00 0.00 O ATOM 884 CB PRO A 61 8.857 -3.188 0.029 1.00 0.00 C ATOM 885 CG PRO A 61 10.286 -2.806 -0.146 1.00 0.00 C ATOM 886 CD PRO A 61 10.482 -2.600 -1.622 1.00 0.00 C ATOM 0 HA PRO A 61 7.247 -2.957 -1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.492 -2.912 1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.720 -4.264 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.518 -1.897 0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.947 -3.586 0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.217 -1.821 -1.825 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.836 -3.508 -2.111 1.00 0.00 H new ATOM 894 N GLU A 62 8.044 -0.001 -1.074 1.00 0.00 N ATOM 895 CA GLU A 62 7.597 1.319 -0.643 1.00 0.00 C ATOM 896 C GLU A 62 6.968 2.086 -1.803 1.00 0.00 C ATOM 897 O GLU A 62 7.595 2.284 -2.844 1.00 0.00 O ATOM 898 CB GLU A 62 8.770 2.115 -0.067 1.00 0.00 C ATOM 899 CG GLU A 62 9.921 2.295 -1.043 1.00 0.00 C ATOM 900 CD GLU A 62 11.175 2.823 -0.374 1.00 0.00 C ATOM 901 OE1 GLU A 62 11.679 2.157 0.555 1.00 0.00 O ATOM 902 OE2 GLU A 62 11.654 3.903 -0.780 1.00 0.00 O ATOM 0 H GLU A 62 8.744 0.012 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 62 6.843 1.184 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.413 3.096 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.138 1.610 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.142 1.339 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.618 2.982 -1.833 1.00 0.00 H new ATOM 909 N VAL A 63 5.724 2.515 -1.615 1.00 0.00 N ATOM 910 CA VAL A 63 5.009 3.261 -2.644 1.00 0.00 C ATOM 911 C VAL A 63 4.553 4.618 -2.121 1.00 0.00 C ATOM 912 O VAL A 63 4.317 4.788 -0.924 1.00 0.00 O ATOM 913 CB VAL A 63 3.782 2.480 -3.152 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.836 2.166 -2.004 1.00 0.00 C ATOM 915 CG2 VAL A 63 3.069 3.263 -4.244 1.00 0.00 C ATOM 0 H VAL A 63 5.190 2.359 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 63 5.705 3.408 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 63 4.123 1.536 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.975 1.614 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.355 1.563 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.498 3.096 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.205 2.697 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.739 4.223 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.752 3.431 -5.077 1.00 0.00 H new ATOM 925 N LEU A 64 4.430 5.583 -3.026 1.00 0.00 N ATOM 926 CA LEU A 64 4.001 6.928 -2.658 1.00 0.00 C ATOM 927 C LEU A 64 2.920 7.434 -3.607 1.00 0.00 C ATOM 928 O LEU A 64 3.191 7.733 -4.771 1.00 0.00 O ATOM 929 CB LEU A 64 5.194 7.886 -2.668 1.00 0.00 C ATOM 930 CG LEU A 64 4.866 9.368 -2.490 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.158 9.603 -1.164 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.131 10.209 -2.577 1.00 0.00 C ATOM 0 H LEU A 64 4.621 5.459 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 64 3.584 6.887 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.880 7.588 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.725 7.763 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 64 4.196 9.671 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.933 10.664 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.231 9.031 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.803 9.283 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.878 11.261 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.825 9.904 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.597 10.065 -3.552 1.00 0.00 H new ATOM 944 N LEU A 65 1.695 7.530 -3.103 1.00 0.00 N ATOM 945 CA LEU A 65 0.572 8.002 -3.905 1.00 0.00 C ATOM 946 C LEU A 65 0.486 9.525 -3.878 1.00 0.00 C ATOM 947 O LEU A 65 0.005 10.113 -2.909 1.00 0.00 O ATOM 948 CB LEU A 65 -0.736 7.397 -3.393 1.00 0.00 C ATOM 949 CG LEU A 65 -0.891 5.886 -3.569 1.00 0.00 C ATOM 950 CD1 LEU A 65 -2.263 5.432 -3.097 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.666 5.492 -5.021 1.00 0.00 C ATOM 0 H LEU A 65 1.454 7.287 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 65 0.734 7.684 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.830 7.631 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.564 7.889 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.137 5.389 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.355 4.354 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.385 5.679 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.034 5.937 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.780 4.413 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.396 5.998 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.340 5.782 -5.325 1.00 0.00 H new ATOM 963 N ASP A 66 0.954 10.158 -4.948 1.00 0.00 N ATOM 964 CA ASP A 66 0.928 11.613 -5.049 1.00 0.00 C ATOM 965 C ASP A 66 -0.395 12.092 -5.640 1.00 0.00 C ATOM 966 O ASP A 66 -0.917 11.498 -6.582 1.00 0.00 O ATOM 967 CB ASP A 66 2.093 12.107 -5.906 1.00 0.00 C ATOM 968 CG ASP A 66 2.317 11.244 -7.132 1.00 0.00 C ATOM 969 OD1 ASP A 66 1.649 11.487 -8.159 1.00 0.00 O ATOM 970 OD2 ASP A 66 3.160 10.324 -7.065 1.00 0.00 O ATOM 0 H ASP A 66 1.356 9.686 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 66 1.027 12.025 -4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.901 13.134 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.002 12.122 -5.305 1.00 0.00 H new ATOM 975 N GLY A 67 -0.931 13.171 -5.078 1.00 0.00 N ATOM 976 CA GLY A 67 -2.189 13.711 -5.562 1.00 0.00 C ATOM 977 C GLY A 67 -3.390 13.053 -4.914 1.00 0.00 C ATOM 978 O GLY A 67 -4.077 12.244 -5.540 1.00 0.00 O ATOM 0 H GLY A 67 -0.518 13.681 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.218 14.783 -5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.246 13.579 -6.643 1.00 0.00 H new ATOM 982 N LEU A 68 -3.645 13.396 -3.656 1.00 0.00 N ATOM 983 CA LEU A 68 -4.771 12.831 -2.922 1.00 0.00 C ATOM 984 C LEU A 68 -5.574 13.928 -2.228 1.00 0.00 C ATOM 985 O LEU A 68 -5.150 15.081 -2.176 1.00 0.00 O ATOM 986 CB LEU A 68 -4.276 11.816 -1.890 1.00 0.00 C ATOM 987 CG LEU A 68 -3.491 10.626 -2.444 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.754 9.906 -1.325 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.420 9.669 -3.176 1.00 0.00 C ATOM 0 H LEU A 68 -3.087 14.063 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.421 12.326 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.646 12.338 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.138 11.434 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.754 11.000 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.201 9.062 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.059 10.595 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.473 9.544 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.845 8.828 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.180 9.301 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.902 10.191 -4.003 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.734 13.557 -1.695 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.595 14.510 -1.003 1.00 0.00 C ATOM 1003 C GLU A 69 -7.555 14.283 0.505 1.00 0.00 C ATOM 1004 O GLU A 69 -7.480 13.152 0.987 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.034 14.392 -1.510 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.273 15.100 -2.833 1.00 0.00 C ATOM 1007 CD GLU A 69 -8.928 14.233 -4.029 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -9.623 13.219 -4.246 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -7.963 14.569 -4.747 1.00 0.00 O ATOM 0 H GLU A 69 -7.099 12.605 -1.729 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.225 15.514 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.286 13.337 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.709 14.804 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.319 15.401 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.677 16.012 -2.866 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.606 15.383 1.270 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.577 15.331 2.735 1.00 0.00 C ATOM 1018 C PRO A 70 -8.858 14.747 3.320 1.00 0.00 C ATOM 1019 O PRO A 70 -9.949 14.972 2.798 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.427 16.800 3.139 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.999 17.568 1.998 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.696 16.763 0.764 1.00 0.00 C ATOM 0 HA PRO A 70 -6.777 14.689 3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.960 17.012 4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.382 17.060 3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.073 17.706 2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.555 18.562 1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.481 16.866 0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.764 17.081 0.296 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.718 13.995 4.407 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.873 13.390 5.045 1.00 0.00 C ATOM 1032 C GLY A 71 -10.529 12.335 4.176 1.00 0.00 C ATOM 1033 O GLY A 71 -11.728 12.404 3.903 1.00 0.00 O ATOM 0 H GLY A 71 -7.825 13.794 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.568 12.940 5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.601 14.166 5.282 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.742 11.358 3.738 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.253 10.286 2.892 1.00 0.00 C ATOM 1039 C ARG A 72 -9.652 8.943 3.294 1.00 0.00 C ATOM 1040 O ARG A 72 -8.452 8.839 3.547 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.943 10.576 1.422 1.00 0.00 C ATOM 1042 CG ARG A 72 -10.927 9.938 0.455 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.108 10.855 0.177 1.00 0.00 C ATOM 1044 NE ARG A 72 -13.104 10.803 1.244 1.00 0.00 N ATOM 1045 CZ ARG A 72 -13.949 9.792 1.412 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -13.919 8.754 0.587 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -14.827 9.818 2.407 1.00 0.00 N ATOM 0 H ARG A 72 -8.748 11.287 3.955 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.334 10.236 3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.941 11.655 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.939 10.219 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.419 9.703 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.286 8.995 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.753 11.879 0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.573 10.571 -0.767 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.153 11.586 1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.246 8.731 -0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.569 7.979 0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.853 10.615 3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.476 9.041 2.535 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.495 7.917 3.350 1.00 0.00 N ATOM 1062 CA ASP A 73 -10.047 6.580 3.721 1.00 0.00 C ATOM 1063 C ASP A 73 -9.620 5.789 2.489 1.00 0.00 C ATOM 1064 O ASP A 73 -10.393 5.625 1.545 1.00 0.00 O ATOM 1065 CB ASP A 73 -11.159 5.834 4.461 1.00 0.00 C ATOM 1066 CG ASP A 73 -10.699 4.492 4.996 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -9.660 3.988 4.520 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -11.377 3.946 5.891 1.00 0.00 O ATOM 0 H ASP A 73 -11.491 7.986 3.143 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.186 6.682 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.517 6.448 5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.002 5.684 3.787 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.384 5.302 2.504 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.852 4.531 1.387 1.00 0.00 C ATOM 1075 C TYR A 74 -7.325 3.179 1.859 1.00 0.00 C ATOM 1076 O TYR A 74 -6.651 3.088 2.884 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.737 5.310 0.688 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.231 6.507 -0.092 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.960 6.345 -1.264 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.971 7.801 0.344 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.413 7.437 -1.980 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.421 8.898 -0.365 1.00 0.00 C ATOM 1083 CZ TYR A 74 -8.141 8.710 -1.526 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.592 9.800 -2.236 1.00 0.00 O ATOM 0 H TYR A 74 -7.732 5.428 3.278 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.663 4.357 0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.017 5.645 1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.206 4.640 0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.176 5.349 -1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.407 7.951 1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.977 7.294 -2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.210 9.897 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.317 10.623 -1.781 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.637 2.132 1.102 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.196 0.785 1.443 1.00 0.00 C ATOM 1096 C GLU A 75 -6.144 0.291 0.453 1.00 0.00 C ATOM 1097 O GLU A 75 -6.463 -0.067 -0.681 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.386 -0.176 1.462 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.159 -0.161 2.770 1.00 0.00 C ATOM 1100 CD GLU A 75 -10.231 -1.232 2.827 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -11.267 -1.070 2.149 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -10.034 -2.232 3.549 1.00 0.00 O ATOM 0 H GLU A 75 -8.193 2.191 0.249 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.749 0.817 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.063 0.081 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.028 -1.188 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.466 -0.302 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.621 0.817 2.904 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.889 0.274 0.891 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.791 -0.177 0.045 1.00 0.00 C ATOM 1111 C VAL A 76 -3.430 -1.628 0.339 1.00 0.00 C ATOM 1112 O VAL A 76 -3.029 -1.965 1.453 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.539 0.701 0.236 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.415 0.232 -0.675 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -2.870 2.163 -0.020 1.00 0.00 C ATOM 0 H VAL A 76 -4.608 0.567 1.827 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.132 -0.093 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.202 0.605 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.539 0.863 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.162 -0.801 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.738 0.297 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.974 2.769 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.232 2.281 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.641 2.489 0.678 1.00 0.00 H new ATOM 1125 N SER A 77 -3.575 -2.484 -0.667 1.00 0.00 N ATOM 1126 CA SER A 77 -3.268 -3.902 -0.516 1.00 0.00 C ATOM 1127 C SER A 77 -1.999 -4.267 -1.280 1.00 0.00 C ATOM 1128 O SER A 77 -1.903 -4.047 -2.488 1.00 0.00 O ATOM 1129 CB SER A 77 -4.438 -4.754 -1.009 1.00 0.00 C ATOM 1130 OG SER A 77 -5.680 -4.171 -0.654 1.00 0.00 O ATOM 0 H SER A 77 -3.903 -2.221 -1.596 1.00 0.00 H new ATOM 0 HA SER A 77 -3.104 -4.103 0.543 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.381 -4.864 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.368 -5.755 -0.583 1.00 0.00 H new ATOM 0 HG SER A 77 -6.412 -4.734 -0.982 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.027 -4.828 -0.568 1.00 0.00 N ATOM 1137 CA VAL A 78 0.236 -5.225 -1.178 1.00 0.00 C ATOM 1138 C VAL A 78 0.334 -6.742 -1.301 1.00 0.00 C ATOM 1139 O VAL A 78 0.070 -7.469 -0.344 1.00 0.00 O ATOM 1140 CB VAL A 78 1.439 -4.709 -0.366 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.742 -5.024 -1.084 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.308 -3.214 -0.113 1.00 0.00 C ATOM 0 H VAL A 78 -1.090 -5.018 0.432 1.00 0.00 H new ATOM 0 HA VAL A 78 0.260 -4.780 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 78 1.451 -5.218 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.581 -4.652 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.837 -6.103 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.744 -4.543 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.166 -2.866 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.271 -2.686 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.393 -3.018 0.446 1.00 0.00 H new ATOM 1152 N GLN A 79 0.714 -7.211 -2.484 1.00 0.00 N ATOM 1153 CA GLN A 79 0.846 -8.642 -2.732 1.00 0.00 C ATOM 1154 C GLN A 79 2.228 -8.973 -3.285 1.00 0.00 C ATOM 1155 O GLN A 79 2.692 -8.350 -4.240 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.233 -9.114 -3.708 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.130 -10.589 -4.063 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.406 -11.133 -4.673 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -2.440 -11.216 -4.008 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.342 -11.507 -5.945 1.00 0.00 N ATOM 0 H GLN A 79 0.936 -6.622 -3.286 1.00 0.00 H new ATOM 0 HA GLN A 79 0.720 -9.163 -1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.214 -8.921 -3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.168 -8.524 -4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.693 -10.734 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.111 -11.159 -3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.465 -11.421 -6.458 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.170 -11.880 -6.409 1.00 0.00 H new ATOM 1169 N SER A 80 2.882 -9.959 -2.679 1.00 0.00 N ATOM 1170 CA SER A 80 4.214 -10.371 -3.108 1.00 0.00 C ATOM 1171 C SER A 80 4.129 -11.379 -4.250 1.00 0.00 C ATOM 1172 O SER A 80 3.752 -12.534 -4.047 1.00 0.00 O ATOM 1173 CB SER A 80 4.987 -10.976 -1.934 1.00 0.00 C ATOM 1174 OG SER A 80 4.446 -12.231 -1.560 1.00 0.00 O ATOM 0 H SER A 80 2.511 -10.488 -1.889 1.00 0.00 H new ATOM 0 HA SER A 80 4.743 -9.488 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.035 -11.095 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.955 -10.295 -1.084 1.00 0.00 H new ATOM 0 HG SER A 80 4.261 -12.760 -2.364 1.00 0.00 H new ATOM 1180 N LEU A 81 4.481 -10.934 -5.451 1.00 0.00 N ATOM 1181 CA LEU A 81 4.446 -11.797 -6.627 1.00 0.00 C ATOM 1182 C LEU A 81 5.852 -12.230 -7.027 1.00 0.00 C ATOM 1183 O LEU A 81 6.814 -11.480 -6.862 1.00 0.00 O ATOM 1184 CB LEU A 81 3.771 -11.073 -7.794 1.00 0.00 C ATOM 1185 CG LEU A 81 2.262 -10.861 -7.669 1.00 0.00 C ATOM 1186 CD1 LEU A 81 1.963 -9.511 -7.037 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.594 -10.974 -9.032 1.00 0.00 C ATOM 0 H LEU A 81 4.794 -9.981 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 81 3.870 -12.688 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.246 -10.099 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.964 -11.637 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 81 1.857 -11.639 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.884 -9.378 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.409 -9.467 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.381 -8.718 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.520 -10.821 -8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.004 -10.218 -9.702 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.779 -11.965 -9.447 1.00 0.00 H new ATOM 1199 N ARG A 82 5.964 -13.445 -7.555 1.00 0.00 N ATOM 1200 CA ARG A 82 7.253 -13.977 -7.980 1.00 0.00 C ATOM 1201 C ARG A 82 7.141 -14.644 -9.348 1.00 0.00 C ATOM 1202 O ARG A 82 8.076 -14.606 -10.147 1.00 0.00 O ATOM 1203 CB ARG A 82 7.777 -14.982 -6.952 1.00 0.00 C ATOM 1204 CG ARG A 82 9.239 -15.349 -7.150 1.00 0.00 C ATOM 1205 CD ARG A 82 9.562 -16.701 -6.533 1.00 0.00 C ATOM 1206 NE ARG A 82 11.002 -16.927 -6.435 1.00 0.00 N ATOM 1207 CZ ARG A 82 11.542 -18.103 -6.137 1.00 0.00 C ATOM 1208 NH1 ARG A 82 10.767 -19.155 -5.911 1.00 0.00 N ATOM 1209 NH2 ARG A 82 12.861 -18.230 -6.066 1.00 0.00 N ATOM 0 H ARG A 82 5.178 -14.079 -7.698 1.00 0.00 H new ATOM 0 HA ARG A 82 7.954 -13.146 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.647 -14.567 -5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.174 -15.888 -7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.469 -15.370 -8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.872 -14.583 -6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.117 -16.762 -5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.111 -17.491 -7.134 1.00 0.00 H new ATOM 0 HE ARG A 82 11.627 -16.139 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.753 -19.062 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.185 -20.057 -5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.461 -17.424 -6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.275 -19.134 -5.837 1.00 0.00 H new ATOM 1223 N GLY A 83 5.990 -15.256 -9.610 1.00 0.00 N ATOM 1224 CA GLY A 83 5.777 -15.924 -10.881 1.00 0.00 C ATOM 1225 C GLY A 83 4.370 -15.730 -11.409 1.00 0.00 C ATOM 1226 O GLY A 83 3.831 -14.623 -11.409 1.00 0.00 O ATOM 0 H GLY A 83 5.201 -15.301 -8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.491 -15.545 -11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.975 -16.990 -10.766 1.00 0.00 H new ATOM 1230 N PRO A 84 3.752 -16.825 -11.875 1.00 0.00 N ATOM 1231 CA PRO A 84 2.391 -16.796 -12.418 1.00 0.00 C ATOM 1232 C PRO A 84 1.342 -16.542 -11.341 1.00 0.00 C ATOM 1233 O PRO A 84 0.218 -16.141 -11.640 1.00 0.00 O ATOM 1234 CB PRO A 84 2.217 -18.195 -13.015 1.00 0.00 C ATOM 1235 CG PRO A 84 3.162 -19.054 -12.248 1.00 0.00 C ATOM 1236 CD PRO A 84 4.334 -18.178 -11.906 1.00 0.00 C ATOM 0 HA PRO A 84 2.258 -15.990 -13.140 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.190 -18.545 -12.911 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.450 -18.203 -14.080 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.690 -19.444 -11.346 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.477 -19.913 -12.840 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.771 -18.449 -10.945 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.126 -18.258 -12.651 1.00 0.00 H new ATOM 1244 N GLU A 85 1.718 -16.779 -10.088 1.00 0.00 N ATOM 1245 CA GLU A 85 0.808 -16.576 -8.967 1.00 0.00 C ATOM 1246 C GLU A 85 1.450 -15.699 -7.897 1.00 0.00 C ATOM 1247 O GLU A 85 2.670 -15.687 -7.738 1.00 0.00 O ATOM 1248 CB GLU A 85 0.399 -17.921 -8.363 1.00 0.00 C ATOM 1249 CG GLU A 85 1.553 -18.677 -7.727 1.00 0.00 C ATOM 1250 CD GLU A 85 2.243 -19.614 -8.699 1.00 0.00 C ATOM 1251 OE1 GLU A 85 1.536 -20.308 -9.458 1.00 0.00 O ATOM 1252 OE2 GLU A 85 3.491 -19.653 -8.700 1.00 0.00 O ATOM 0 H GLU A 85 2.646 -17.111 -9.824 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.081 -16.069 -9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.373 -17.753 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.045 -18.540 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.280 -17.963 -7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.183 -19.250 -6.877 1.00 0.00 H new ATOM 1259 N GLY A 86 0.619 -14.964 -7.163 1.00 0.00 N ATOM 1260 CA GLY A 86 1.123 -14.094 -6.118 1.00 0.00 C ATOM 1261 C GLY A 86 0.727 -14.563 -4.732 1.00 0.00 C ATOM 1262 O GLY A 86 -0.078 -15.483 -4.587 1.00 0.00 O ATOM 0 H GLY A 86 -0.395 -14.956 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.210 -14.043 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.747 -13.084 -6.278 1.00 0.00 H new ATOM 1266 N SER A 87 1.295 -13.930 -3.710 1.00 0.00 N ATOM 1267 CA SER A 87 1.001 -14.292 -2.328 1.00 0.00 C ATOM 1268 C SER A 87 -0.340 -13.713 -1.889 1.00 0.00 C ATOM 1269 O SER A 87 -0.992 -12.990 -2.641 1.00 0.00 O ATOM 1270 CB SER A 87 2.113 -13.796 -1.401 1.00 0.00 C ATOM 1271 OG SER A 87 1.986 -12.407 -1.151 1.00 0.00 O ATOM 0 H SER A 87 1.961 -13.164 -3.813 1.00 0.00 H new ATOM 0 HA SER A 87 0.945 -15.379 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.077 -14.343 -0.459 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.084 -14.000 -1.851 1.00 0.00 H new ATOM 0 HG SER A 87 2.865 -12.032 -0.936 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.744 -14.036 -0.664 1.00 0.00 N ATOM 1278 CA GLU A 88 -2.008 -13.548 -0.124 1.00 0.00 C ATOM 1279 C GLU A 88 -2.052 -12.023 -0.136 1.00 0.00 C ATOM 1280 O GLU A 88 -1.029 -11.363 -0.315 1.00 0.00 O ATOM 1281 CB GLU A 88 -2.211 -14.064 1.302 1.00 0.00 C ATOM 1282 CG GLU A 88 -2.765 -15.478 1.365 1.00 0.00 C ATOM 1283 CD GLU A 88 -3.507 -15.757 2.657 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -2.841 -16.040 3.675 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -4.754 -15.692 2.650 1.00 0.00 O ATOM 0 H GLU A 88 -0.215 -14.633 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.813 -13.922 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.258 -14.032 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.890 -13.393 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.437 -15.639 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.946 -16.190 1.260 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.246 -11.470 0.055 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.424 -10.024 0.067 1.00 0.00 C ATOM 1294 C ALA A 89 -3.293 -9.467 1.481 1.00 0.00 C ATOM 1295 O ALA A 89 -4.040 -9.851 2.381 1.00 0.00 O ATOM 1296 CB ALA A 89 -4.776 -9.654 -0.525 1.00 0.00 C ATOM 0 H ALA A 89 -4.104 -12.002 0.203 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.638 -9.580 -0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.896 -8.571 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.833 -10.011 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.569 -10.115 0.063 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.340 -8.560 1.668 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.110 -7.952 2.973 1.00 0.00 C ATOM 1304 C ARG A 90 -2.079 -6.430 2.866 1.00 0.00 C ATOM 1305 O ARG A 90 -1.087 -5.848 2.429 1.00 0.00 O ATOM 1306 CB ARG A 90 -0.796 -8.459 3.572 1.00 0.00 C ATOM 1307 CG ARG A 90 -0.789 -9.953 3.848 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.596 -10.293 5.092 1.00 0.00 C ATOM 1309 NE ARG A 90 -0.852 -10.018 6.319 1.00 0.00 N ATOM 1310 CZ ARG A 90 -1.415 -9.951 7.520 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.720 -10.139 7.656 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -0.671 -9.697 8.589 1.00 0.00 N ATOM 0 H ARG A 90 -1.715 -8.230 0.933 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.933 -8.236 3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.020 -8.220 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.601 -7.925 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.200 -10.485 2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.238 -10.296 3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.521 -9.717 5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.876 -11.346 5.066 1.00 0.00 H new ATOM 0 HE ARG A 90 0.155 -9.869 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.295 -10.336 6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.149 -10.087 8.580 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.334 -9.553 8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.104 -9.646 9.511 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.174 -5.791 3.268 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.252 -4.343 3.208 1.00 0.00 C ATOM 1328 C GLY A 91 -3.372 -3.712 4.581 1.00 0.00 C ATOM 1329 O GLY A 91 -3.697 -4.390 5.557 1.00 0.00 O ATOM 0 H GLY A 91 -4.008 -6.250 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.364 -3.955 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.110 -4.053 2.602 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.109 -2.412 4.658 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.190 -1.690 5.922 1.00 0.00 C ATOM 1335 C ILE A 92 -4.132 -0.496 5.814 1.00 0.00 C ATOM 1336 O ILE A 92 -4.223 0.143 4.766 1.00 0.00 O ATOM 1337 CB ILE A 92 -1.804 -1.197 6.378 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -1.935 -0.322 7.626 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.119 -0.430 5.256 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.639 -0.160 8.390 1.00 0.00 C ATOM 0 H ILE A 92 -2.838 -1.837 3.860 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.579 -2.390 6.661 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.191 -2.063 6.627 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.300 0.662 7.333 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.685 -0.756 8.287 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.141 -0.088 5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.997 -1.082 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.728 0.430 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.807 0.472 9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.283 -1.138 8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.108 0.303 7.745 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.830 -0.200 6.906 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.765 0.918 6.934 1.00 0.00 C ATOM 1354 C ARG A 93 -5.024 2.249 6.841 1.00 0.00 C ATOM 1355 O ARG A 93 -4.281 2.622 7.748 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.603 0.878 8.214 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.776 1.844 8.205 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.928 1.313 7.366 1.00 0.00 C ATOM 1359 NE ARG A 93 -9.826 0.464 8.144 1.00 0.00 N ATOM 1360 CZ ARG A 93 -10.804 -0.257 7.607 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -11.010 -0.231 6.298 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -11.579 -1.006 8.381 1.00 0.00 N ATOM 0 H ARG A 93 -4.766 -0.719 7.782 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.426 0.828 6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.979 -0.135 8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.962 1.107 9.065 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.116 2.014 9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.452 2.808 7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.490 2.150 6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.532 0.746 6.524 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.695 0.422 9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.417 0.344 5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.762 -0.786 5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.424 -1.028 9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.330 -1.559 7.968 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.232 2.960 5.737 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.586 4.249 5.525 1.00 0.00 C ATOM 1378 C ALA A 94 -5.586 5.392 5.655 1.00 0.00 C ATOM 1379 O ALA A 94 -6.739 5.271 5.240 1.00 0.00 O ATOM 1380 CB ALA A 94 -3.914 4.285 4.160 1.00 0.00 C ATOM 0 H ALA A 94 -5.843 2.664 4.976 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.825 4.377 6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.436 5.254 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.163 3.497 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.662 4.130 3.382 1.00 0.00 H new ATOM 1386 N ARG A 95 -5.138 6.502 6.234 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.995 7.666 6.420 1.00 0.00 C ATOM 1388 C ARG A 95 -5.189 8.957 6.314 1.00 0.00 C ATOM 1389 O ARG A 95 -3.960 8.943 6.394 1.00 0.00 O ATOM 1390 CB ARG A 95 -6.696 7.599 7.778 1.00 0.00 C ATOM 1391 CG ARG A 95 -5.749 7.736 8.959 1.00 0.00 C ATOM 1392 CD ARG A 95 -5.221 6.384 9.410 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.881 6.482 9.984 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.373 5.587 10.823 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.090 4.531 11.185 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -2.146 5.746 11.302 1.00 0.00 N ATOM 0 H ARG A 95 -4.186 6.619 6.582 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.747 7.662 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.445 8.389 7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.227 6.650 7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.914 8.380 8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.266 8.220 9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.901 5.957 10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.202 5.701 8.561 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.304 7.282 9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.034 4.405 10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.698 3.845 11.830 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.592 6.557 11.026 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.757 5.058 11.946 1.00 0.00 H new ATOM 1410 N THR A 96 -5.889 10.073 6.134 1.00 0.00 N ATOM 1411 CA THR A 96 -5.239 11.372 6.016 1.00 0.00 C ATOM 1412 C THR A 96 -6.048 12.458 6.716 1.00 0.00 C ATOM 1413 O THR A 96 -7.276 12.495 6.642 1.00 0.00 O ATOM 1414 CB THR A 96 -5.039 11.768 4.541 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.281 11.672 3.835 1.00 0.00 O ATOM 1416 CG2 THR A 96 -4.002 10.875 3.876 1.00 0.00 C ATOM 0 H THR A 96 -6.906 10.103 6.067 1.00 0.00 H new ATOM 0 HA THR A 96 -4.265 11.282 6.496 1.00 0.00 H new ATOM 0 HB THR A 96 -4.682 12.797 4.510 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.146 11.927 2.899 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.878 11.174 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.050 10.973 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.334 9.838 3.918 1.00 0.00 H new ATOM 1424 N PRO A 97 -5.346 13.364 7.413 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.979 14.468 8.139 1.00 0.00 C ATOM 1426 C PRO A 97 -6.580 15.510 7.202 1.00 0.00 C ATOM 1427 O PRO A 97 -6.651 15.302 5.990 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.825 15.073 8.942 1.00 0.00 C ATOM 1429 CG PRO A 97 -3.600 14.718 8.171 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.879 13.380 7.544 1.00 0.00 C ATOM 0 HA PRO A 97 -6.811 14.126 8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.933 16.153 9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.789 14.665 9.952 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.387 15.469 7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.728 14.669 8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.388 13.280 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.522 12.561 8.169 1.00 0.00 H new ATOM 1438 N THR A 98 -7.011 16.632 7.769 1.00 0.00 N ATOM 1439 CA THR A 98 -7.606 17.706 6.984 1.00 0.00 C ATOM 1440 C THR A 98 -6.920 19.038 7.265 1.00 0.00 C ATOM 1441 O THR A 98 -7.292 19.755 8.194 1.00 0.00 O ATOM 1442 CB THR A 98 -9.112 17.846 7.275 1.00 0.00 C ATOM 1443 OG1 THR A 98 -9.329 17.975 8.685 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.880 16.644 6.747 1.00 0.00 C ATOM 0 H THR A 98 -6.959 16.821 8.770 1.00 0.00 H new ATOM 0 HA THR A 98 -7.469 17.444 5.935 1.00 0.00 H new ATOM 0 HB THR A 98 -9.475 18.740 6.768 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.776 18.704 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.941 16.766 6.964 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.737 16.566 5.669 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.513 15.738 7.228 1.00 0.00 H new ATOM 1452 N SER A 99 -5.916 19.363 6.457 1.00 0.00 N ATOM 1453 CA SER A 99 -5.175 20.608 6.621 1.00 0.00 C ATOM 1454 C SER A 99 -6.033 21.807 6.227 1.00 0.00 C ATOM 1455 O SER A 99 -6.583 21.856 5.128 1.00 0.00 O ATOM 1456 CB SER A 99 -3.898 20.581 5.779 1.00 0.00 C ATOM 1457 OG SER A 99 -3.089 21.715 6.043 1.00 0.00 O ATOM 0 H SER A 99 -5.597 18.781 5.682 1.00 0.00 H new ATOM 0 HA SER A 99 -4.906 20.706 7.673 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.336 19.672 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.157 20.554 4.721 1.00 0.00 H new ATOM 0 HG SER A 99 -2.278 21.673 5.494 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.143 22.772 7.135 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.935 23.958 6.864 1.00 0.00 C ATOM 1465 C GLY A 100 -7.429 24.626 8.132 1.00 0.00 C ATOM 1466 O GLY A 100 -6.964 24.336 9.234 1.00 0.00 O ATOM 0 H GLY A 100 -5.698 22.754 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.337 24.668 6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.789 23.687 6.243 1.00 0.00 H new ATOM 1470 N PRO A 101 -8.395 25.544 7.983 1.00 0.00 N ATOM 1471 CA PRO A 101 -8.974 26.275 9.115 1.00 0.00 C ATOM 1472 C PRO A 101 -9.826 25.381 10.008 1.00 0.00 C ATOM 1473 O PRO A 101 -10.230 25.781 11.100 1.00 0.00 O ATOM 1474 CB PRO A 101 -9.841 27.342 8.442 1.00 0.00 C ATOM 1475 CG PRO A 101 -10.184 26.767 7.111 1.00 0.00 C ATOM 1476 CD PRO A 101 -8.998 25.940 6.699 1.00 0.00 C ATOM 0 HA PRO A 101 -8.206 26.683 9.772 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.737 27.550 9.026 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.302 28.284 8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.084 26.156 7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.381 27.555 6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.298 25.072 6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.301 26.513 6.088 1.00 0.00 H new ATOM 1484 N SER A 102 -10.097 24.168 9.537 1.00 0.00 N ATOM 1485 CA SER A 102 -10.905 23.217 10.292 1.00 0.00 C ATOM 1486 C SER A 102 -10.105 22.621 11.447 1.00 0.00 C ATOM 1487 O SER A 102 -9.132 21.897 11.234 1.00 0.00 O ATOM 1488 CB SER A 102 -11.407 22.101 9.375 1.00 0.00 C ATOM 1489 OG SER A 102 -10.329 21.448 8.728 1.00 0.00 O ATOM 0 H SER A 102 -9.769 23.820 8.636 1.00 0.00 H new ATOM 0 HA SER A 102 -11.761 23.752 10.704 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.978 21.377 9.957 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.085 22.516 8.629 1.00 0.00 H new ATOM 0 HG SER A 102 -9.540 21.465 9.309 1.00 0.00 H new ATOM 1495 N SER A 103 -10.522 22.932 12.670 1.00 0.00 N ATOM 1496 CA SER A 103 -9.843 22.431 13.860 1.00 0.00 C ATOM 1497 C SER A 103 -10.755 21.500 14.653 1.00 0.00 C ATOM 1498 O SER A 103 -11.582 21.949 15.445 1.00 0.00 O ATOM 1499 CB SER A 103 -9.391 23.595 14.743 1.00 0.00 C ATOM 1500 OG SER A 103 -8.660 23.130 15.864 1.00 0.00 O ATOM 0 H SER A 103 -11.327 23.528 12.863 1.00 0.00 H new ATOM 0 HA SER A 103 -8.967 21.867 13.539 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.774 24.279 14.161 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.261 24.159 15.080 1.00 0.00 H new ATOM 0 HG SER A 103 -8.381 23.893 16.412 1.00 0.00 H new ATOM 1506 N GLY A 104 -10.595 20.198 14.435 1.00 0.00 N ATOM 1507 CA GLY A 104 -11.409 19.223 15.136 1.00 0.00 C ATOM 1508 C GLY A 104 -12.642 18.824 14.350 1.00 0.00 C ATOM 1509 O GLY A 104 -13.754 18.834 14.878 1.00 0.00 O ATOM 0 H GLY A 104 -9.916 19.801 13.785 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.811 18.336 15.342 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.713 19.633 16.099 1.00 0.00 H new TER 1513 GLY A 104