USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= -2.11! C(o=-8.1!,f=-13!) USER MOD Set 1.2: A 93 GLN : amide:sc= -2.94! X(o=-8.1!,f=-8.4) USER MOD Set 1.3: A 96 GLN : amide:sc= -3.08! C(o=-8.1!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot -150:sc= -0.755 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -64:sc= 0.976 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.125 F(o=-2.3!,f=-0.13) USER MOD Single : A 16 GLN :FLIP amide:sc= -4.05! C(o=-5.9!,f=-4!) USER MOD Single : A 21 THR OG1 : rot -61:sc= 0.278! USER MOD Single : A 25 SER OG : rot -147:sc= -3.07 USER MOD Single : A 26 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 27 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.17) USER MOD Single : A 30 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.47) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -6.02! C(o=-9.2!,f=-6!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 51 ASN : amide:sc= -6.91! C(o=-6.9!,f=-25!) USER MOD Single : A 55 GLN :FLIP amide:sc= -4.78! C(o=-8.9!,f=-4.8!) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -141:sc= -2.17! (180deg=-2.67!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.077 USER MOD Single : A 82 SER OG : rot 67:sc= -4.56! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 89 GLN :FLIP amide:sc= -2.16! C(o=-3.2!,f=-2.2!) USER MOD Single : A 92 ASN : amide:sc= -0.571 K(o=-0.57,f=-1.2) USER MOD Single : A 100 GLN : amide:sc=-0.00802 K(o=-0.008,f=-1.3) USER MOD Single : A 101 GLN : amide:sc= -0.0324 K(o=-0.032,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.811 4.606 29.430 1.00 0.00 N ATOM 2 CA GLY A 1 -10.569 3.974 30.759 1.00 0.00 C ATOM 3 C GLY A 1 -9.295 4.543 31.370 1.00 0.00 C ATOM 4 O GLY A 1 -8.815 5.599 30.960 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.819 4.844 29.337 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.242 5.473 29.349 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.541 3.943 28.676 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.416 4.158 31.420 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.480 2.893 30.648 1.00 0.00 H new ATOM 10 N SER A 2 -8.754 3.836 32.357 1.00 0.00 N ATOM 11 CA SER A 2 -7.536 4.282 33.023 1.00 0.00 C ATOM 12 C SER A 2 -6.312 3.929 32.184 1.00 0.00 C ATOM 13 O SER A 2 -5.180 4.227 32.565 1.00 0.00 O ATOM 14 CB SER A 2 -7.426 3.621 34.398 1.00 0.00 C ATOM 15 OG SER A 2 -6.794 2.352 34.269 1.00 0.00 O ATOM 0 H SER A 2 -9.136 2.959 32.711 1.00 0.00 H new ATOM 0 HA SER A 2 -7.580 5.364 33.143 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.853 4.257 35.073 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.417 3.502 34.836 1.00 0.00 H new ATOM 0 HG SER A 2 -7.125 1.749 34.967 1.00 0.00 H new ATOM 21 N SER A 3 -6.549 3.293 31.038 1.00 0.00 N ATOM 22 CA SER A 3 -5.457 2.902 30.148 1.00 0.00 C ATOM 23 C SER A 3 -4.510 1.929 30.848 1.00 0.00 C ATOM 24 O SER A 3 -3.691 1.272 30.204 1.00 0.00 O ATOM 25 CB SER A 3 -4.678 4.140 29.707 1.00 0.00 C ATOM 26 OG SER A 3 -4.215 3.953 28.375 1.00 0.00 O ATOM 0 H SER A 3 -7.479 3.039 30.706 1.00 0.00 H new ATOM 0 HA SER A 3 -5.886 2.408 29.276 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.314 5.023 29.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.835 4.311 30.377 1.00 0.00 H new ATOM 0 HG SER A 3 -3.716 4.746 28.088 1.00 0.00 H new ATOM 32 N LEU A 4 -4.628 1.843 32.170 1.00 0.00 N ATOM 33 CA LEU A 4 -3.779 0.954 32.955 1.00 0.00 C ATOM 34 C LEU A 4 -3.968 -0.500 32.533 1.00 0.00 C ATOM 35 O LEU A 4 -3.007 -1.265 32.466 1.00 0.00 O ATOM 36 CB LEU A 4 -4.124 1.102 34.439 1.00 0.00 C ATOM 37 CG LEU A 4 -3.202 0.216 35.279 1.00 0.00 C ATOM 38 CD1 LEU A 4 -1.875 0.938 35.519 1.00 0.00 C ATOM 39 CD2 LEU A 4 -3.873 -0.081 36.622 1.00 0.00 C ATOM 0 H LEU A 4 -5.302 2.377 32.719 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.739 1.230 32.782 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.019 2.143 34.744 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.164 0.824 34.609 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.013 -0.718 34.750 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.220 0.305 36.118 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.399 1.151 34.562 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.060 1.873 36.049 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.219 -0.712 37.224 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.061 0.854 37.150 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.818 -0.597 36.450 1.00 0.00 H new ATOM 51 N SER A 5 -5.212 -0.879 32.259 1.00 0.00 N ATOM 52 CA SER A 5 -5.504 -2.250 31.856 1.00 0.00 C ATOM 53 C SER A 5 -6.193 -2.280 30.499 1.00 0.00 C ATOM 54 O SER A 5 -7.413 -2.406 30.408 1.00 0.00 O ATOM 55 CB SER A 5 -6.396 -2.926 32.898 1.00 0.00 C ATOM 56 OG SER A 5 -7.293 -3.814 32.243 1.00 0.00 O ATOM 0 H SER A 5 -6.025 -0.265 32.308 1.00 0.00 H new ATOM 0 HA SER A 5 -4.560 -2.790 31.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.785 -3.472 33.617 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.953 -2.175 33.458 1.00 0.00 H new ATOM 0 HG SER A 5 -7.890 -3.303 31.658 1.00 0.00 H new ATOM 62 N PRO A 6 -5.426 -2.165 29.450 1.00 0.00 N ATOM 63 CA PRO A 6 -5.958 -2.177 28.063 1.00 0.00 C ATOM 64 C PRO A 6 -6.509 -3.547 27.673 1.00 0.00 C ATOM 65 O PRO A 6 -6.070 -4.575 28.188 1.00 0.00 O ATOM 66 CB PRO A 6 -4.766 -1.786 27.178 1.00 0.00 C ATOM 67 CG PRO A 6 -3.594 -1.547 28.082 1.00 0.00 C ATOM 68 CD PRO A 6 -3.970 -2.018 29.487 1.00 0.00 C ATOM 0 HA PRO A 6 -6.797 -1.490 27.953 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -4.543 -2.578 26.463 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.994 -0.890 26.601 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.719 -2.088 27.721 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.332 -0.489 28.093 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.482 -2.961 29.733 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.664 -1.295 30.243 1.00 0.00 H new ATOM 76 N GLN A 7 -7.482 -3.548 26.766 1.00 0.00 N ATOM 77 CA GLN A 7 -8.099 -4.792 26.316 1.00 0.00 C ATOM 78 C GLN A 7 -7.559 -5.215 24.952 1.00 0.00 C ATOM 79 O GLN A 7 -7.509 -4.411 24.022 1.00 0.00 O ATOM 80 CB GLN A 7 -9.614 -4.609 26.228 1.00 0.00 C ATOM 81 CG GLN A 7 -10.262 -5.912 25.761 1.00 0.00 C ATOM 82 CD GLN A 7 -11.751 -5.690 25.518 1.00 0.00 C ATOM 83 OE1 GLN A 7 -12.488 -5.348 26.443 1.00 0.00 O ATOM 84 NE2 GLN A 7 -12.238 -5.859 24.318 1.00 0.00 N ATOM 0 H GLN A 7 -7.859 -2.706 26.330 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.858 -5.572 27.038 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.013 -4.321 27.201 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.853 -3.803 25.534 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.783 -6.260 24.846 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.119 -6.690 26.511 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.625 -6.142 23.554 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.232 -5.708 24.145 1.00 0.00 H new ATOM 93 N ALA A 8 -7.168 -6.487 24.845 1.00 0.00 N ATOM 94 CA ALA A 8 -6.638 -7.030 23.594 1.00 0.00 C ATOM 95 C ALA A 8 -6.983 -6.124 22.414 1.00 0.00 C ATOM 96 O ALA A 8 -7.943 -6.373 21.685 1.00 0.00 O ATOM 97 CB ALA A 8 -7.216 -8.427 23.355 1.00 0.00 C ATOM 0 H ALA A 8 -7.209 -7.160 25.611 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.553 -7.088 23.677 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.820 -8.830 22.423 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.938 -9.082 24.181 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.302 -8.365 23.291 1.00 0.00 H new ATOM 103 N LEU A 9 -6.197 -5.068 22.245 1.00 0.00 N ATOM 104 CA LEU A 9 -6.423 -4.114 21.164 1.00 0.00 C ATOM 105 C LEU A 9 -5.764 -4.580 19.869 1.00 0.00 C ATOM 106 O LEU A 9 -4.636 -5.072 19.879 1.00 0.00 O ATOM 107 CB LEU A 9 -5.850 -2.750 21.555 1.00 0.00 C ATOM 108 CG LEU A 9 -4.440 -2.937 22.124 1.00 0.00 C ATOM 109 CD1 LEU A 9 -3.681 -1.612 22.048 1.00 0.00 C ATOM 110 CD2 LEU A 9 -4.521 -3.391 23.585 1.00 0.00 C ATOM 0 H LEU A 9 -5.398 -4.850 22.841 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.498 -4.038 20.999 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.820 -2.093 20.686 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.492 -2.271 22.294 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.918 -3.695 21.541 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.678 -1.744 22.453 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.614 -1.290 21.009 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.210 -0.856 22.628 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.514 -3.522 23.982 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.047 -2.638 24.171 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.059 -4.337 23.643 1.00 0.00 H new ATOM 122 N ALA A 10 -6.469 -4.405 18.753 1.00 0.00 N ATOM 123 CA ALA A 10 -5.935 -4.796 17.452 1.00 0.00 C ATOM 124 C ALA A 10 -4.742 -3.913 17.101 1.00 0.00 C ATOM 125 O ALA A 10 -4.706 -2.739 17.467 1.00 0.00 O ATOM 126 CB ALA A 10 -7.016 -4.655 16.377 1.00 0.00 C ATOM 0 H ALA A 10 -7.404 -3.998 18.724 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.614 -5.837 17.497 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.608 -4.949 15.410 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.861 -5.297 16.625 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.349 -3.618 16.330 1.00 0.00 H new ATOM 132 N GLN A 11 -3.763 -4.479 16.405 1.00 0.00 N ATOM 133 CA GLN A 11 -2.576 -3.713 16.037 1.00 0.00 C ATOM 134 C GLN A 11 -2.759 -3.018 14.690 1.00 0.00 C ATOM 135 O GLN A 11 -3.407 -3.549 13.787 1.00 0.00 O ATOM 136 CB GLN A 11 -1.357 -4.631 15.961 1.00 0.00 C ATOM 137 CG GLN A 11 -1.400 -5.650 17.097 1.00 0.00 C ATOM 138 CD GLN A 11 -0.011 -6.241 17.322 1.00 0.00 C ATOM 139 OE1 GLN A 11 1.014 -5.741 16.685 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 0.143 -7.185 18.096 1.00 0.00 N flip ATOM 0 H GLN A 11 -3.765 -5.449 16.088 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.423 -2.955 16.806 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.338 -5.146 15.000 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.443 -4.041 16.025 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.753 -5.173 18.011 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.107 -6.444 16.858 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.659 -7.574 18.592 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.073 -7.579 18.241 1.00 0.00 H new ATOM 149 N PRO A 12 -2.182 -1.855 14.537 1.00 0.00 N ATOM 150 CA PRO A 12 -2.262 -1.082 13.269 1.00 0.00 C ATOM 151 C PRO A 12 -1.810 -1.924 12.082 1.00 0.00 C ATOM 152 O PRO A 12 -1.047 -2.875 12.247 1.00 0.00 O ATOM 153 CB PRO A 12 -1.298 0.099 13.460 1.00 0.00 C ATOM 154 CG PRO A 12 -0.678 -0.040 14.816 1.00 0.00 C ATOM 155 CD PRO A 12 -1.402 -1.157 15.565 1.00 0.00 C ATOM 0 HA PRO A 12 -3.284 -0.765 13.062 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.531 0.097 12.686 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.831 1.046 13.378 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.384 -0.270 14.726 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.755 0.898 15.366 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.695 -1.830 16.050 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.047 -0.755 16.346 1.00 0.00 H new ATOM 163 N LEU A 13 -2.258 -1.564 10.885 1.00 0.00 N ATOM 164 CA LEU A 13 -1.853 -2.298 9.699 1.00 0.00 C ATOM 165 C LEU A 13 -0.460 -1.845 9.299 1.00 0.00 C ATOM 166 O LEU A 13 -0.223 -0.653 9.109 1.00 0.00 O ATOM 167 CB LEU A 13 -2.824 -2.035 8.544 1.00 0.00 C ATOM 168 CG LEU A 13 -2.589 -3.055 7.422 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.635 -2.863 6.326 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.198 -2.858 6.820 1.00 0.00 C ATOM 0 H LEU A 13 -2.890 -0.782 10.714 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.858 -3.366 9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.852 -2.103 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.684 -1.023 8.163 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.668 -4.060 7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.466 -3.589 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.631 -3.009 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.556 -1.855 5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.039 -3.586 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.118 -1.851 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.443 -2.997 7.594 1.00 0.00 H new ATOM 182 N LEU A 14 0.465 -2.786 9.169 1.00 0.00 N ATOM 183 CA LEU A 14 1.812 -2.431 8.788 1.00 0.00 C ATOM 184 C LEU A 14 1.944 -2.475 7.276 1.00 0.00 C ATOM 185 O LEU A 14 1.782 -3.523 6.650 1.00 0.00 O ATOM 186 CB LEU A 14 2.803 -3.393 9.443 1.00 0.00 C ATOM 187 CG LEU A 14 2.618 -3.357 10.961 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.784 -4.080 11.638 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.568 -1.902 11.437 1.00 0.00 C ATOM 0 H LEU A 14 0.306 -3.782 9.320 1.00 0.00 H new ATOM 0 HA LEU A 14 2.033 -1.419 9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.645 -4.405 9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.824 -3.113 9.183 1.00 0.00 H new ATOM 0 HG LEU A 14 1.685 -3.855 11.223 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.650 -4.053 12.719 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.814 -5.116 11.302 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.720 -3.586 11.376 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.436 -1.877 12.519 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.499 -1.401 11.173 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.733 -1.391 10.958 1.00 0.00 H new ATOM 201 N LEU A 15 2.211 -1.314 6.701 1.00 0.00 N ATOM 202 CA LEU A 15 2.335 -1.189 5.259 1.00 0.00 C ATOM 203 C LEU A 15 3.647 -0.495 4.902 1.00 0.00 C ATOM 204 O LEU A 15 3.975 0.546 5.471 1.00 0.00 O ATOM 205 CB LEU A 15 1.139 -0.372 4.753 1.00 0.00 C ATOM 206 CG LEU A 15 0.962 -0.535 3.244 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.172 0.055 2.525 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.817 -2.022 2.901 1.00 0.00 C ATOM 0 H LEU A 15 2.346 -0.442 7.213 1.00 0.00 H new ATOM 0 HA LEU A 15 2.341 -2.173 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.232 -0.693 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.286 0.681 4.994 1.00 0.00 H new ATOM 0 HG LEU A 15 0.064 -0.009 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.047 -0.060 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.259 1.114 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.075 -0.466 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.691 -2.136 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.711 -2.558 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.054 -2.430 3.414 1.00 0.00 H new ATOM 220 N GLN A 16 4.400 -1.066 3.962 1.00 0.00 N ATOM 221 CA GLN A 16 5.670 -0.465 3.566 1.00 0.00 C ATOM 222 C GLN A 16 5.757 -0.253 2.061 1.00 0.00 C ATOM 223 O GLN A 16 5.174 -0.999 1.274 1.00 0.00 O ATOM 224 CB GLN A 16 6.846 -1.324 4.038 1.00 0.00 C ATOM 225 CG GLN A 16 7.134 -1.018 5.509 1.00 0.00 C ATOM 226 CD GLN A 16 8.357 -1.797 5.982 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.849 -2.745 5.231 1.00 0.00 O flip ATOM 228 NE2 GLN A 16 8.876 -1.537 7.067 1.00 0.00 N flip ATOM 0 H GLN A 16 4.158 -1.926 3.470 1.00 0.00 H new ATOM 0 HA GLN A 16 5.722 0.512 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.613 -2.381 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.728 -1.118 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.303 0.051 5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.269 -1.281 6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.490 -0.796 7.652 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.692 -2.062 7.381 1.00 0.00 H new ATOM 237 N LEU A 17 6.495 0.785 1.681 1.00 0.00 N ATOM 238 CA LEU A 17 6.675 1.131 0.279 1.00 0.00 C ATOM 239 C LEU A 17 8.152 1.355 -0.025 1.00 0.00 C ATOM 240 O LEU A 17 8.836 2.087 0.688 1.00 0.00 O ATOM 241 CB LEU A 17 5.876 2.399 -0.038 1.00 0.00 C ATOM 242 CG LEU A 17 6.073 2.801 -1.504 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.113 2.009 -2.392 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.791 4.299 -1.653 1.00 0.00 C ATOM 0 H LEU A 17 6.980 1.404 2.331 1.00 0.00 H new ATOM 0 HA LEU A 17 6.315 0.310 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.818 2.229 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.196 3.211 0.615 1.00 0.00 H new ATOM 0 HG LEU A 17 7.098 2.586 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.257 2.299 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.311 0.943 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.085 2.220 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.929 4.593 -2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.765 4.508 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.478 4.863 -1.022 1.00 0.00 H new ATOM 256 N PHE A 18 8.640 0.724 -1.087 1.00 0.00 N ATOM 257 CA PHE A 18 10.041 0.872 -1.470 1.00 0.00 C ATOM 258 C PHE A 18 10.182 1.900 -2.587 1.00 0.00 C ATOM 259 O PHE A 18 9.553 1.779 -3.638 1.00 0.00 O ATOM 260 CB PHE A 18 10.605 -0.471 -1.939 1.00 0.00 C ATOM 261 CG PHE A 18 10.811 -1.382 -0.754 1.00 0.00 C ATOM 262 CD1 PHE A 18 11.946 -1.232 0.049 1.00 0.00 C ATOM 263 CD2 PHE A 18 9.872 -2.379 -0.459 1.00 0.00 C ATOM 264 CE1 PHE A 18 12.147 -2.077 1.144 1.00 0.00 C ATOM 265 CE2 PHE A 18 10.073 -3.226 0.637 1.00 0.00 C ATOM 266 CZ PHE A 18 11.211 -3.075 1.440 1.00 0.00 C ATOM 0 H PHE A 18 8.094 0.111 -1.693 1.00 0.00 H new ATOM 0 HA PHE A 18 10.600 1.214 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.921 -0.934 -2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.550 -0.317 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.669 -0.462 -0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.994 -2.494 -1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.025 -1.960 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.351 -3.996 0.864 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.366 -3.728 2.286 1.00 0.00 H new ATOM 276 N VAL A 19 11.009 2.916 -2.354 1.00 0.00 N ATOM 277 CA VAL A 19 11.211 3.956 -3.357 1.00 0.00 C ATOM 278 C VAL A 19 12.689 4.315 -3.497 1.00 0.00 C ATOM 279 O VAL A 19 13.463 4.197 -2.544 1.00 0.00 O ATOM 280 CB VAL A 19 10.424 5.205 -2.965 1.00 0.00 C ATOM 281 CG1 VAL A 19 9.028 4.797 -2.487 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.159 5.937 -1.840 1.00 0.00 C ATOM 0 H VAL A 19 11.542 3.040 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 19 10.858 3.574 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 19 10.333 5.866 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.465 5.687 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.507 4.275 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.117 4.137 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.599 6.829 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.250 5.279 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.153 6.226 -2.182 1.00 0.00 H new ATOM 292 N ASP A 20 13.064 4.775 -4.689 1.00 0.00 N ATOM 293 CA ASP A 20 14.439 5.179 -4.953 1.00 0.00 C ATOM 294 C ASP A 20 14.544 6.702 -4.934 1.00 0.00 C ATOM 295 O ASP A 20 15.510 7.273 -5.438 1.00 0.00 O ATOM 296 CB ASP A 20 14.903 4.651 -6.313 1.00 0.00 C ATOM 297 CG ASP A 20 14.214 5.416 -7.438 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.536 6.386 -7.142 1.00 0.00 O ATOM 299 OD2 ASP A 20 14.375 5.022 -8.580 1.00 0.00 O ATOM 0 H ASP A 20 12.434 4.876 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 20 15.078 4.759 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.984 4.755 -6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.677 3.588 -6.395 1.00 0.00 H new ATOM 304 N THR A 21 13.533 7.345 -4.351 1.00 0.00 N ATOM 305 CA THR A 21 13.487 8.804 -4.262 1.00 0.00 C ATOM 306 C THR A 21 12.983 9.429 -5.565 1.00 0.00 C ATOM 307 O THR A 21 13.039 10.647 -5.736 1.00 0.00 O ATOM 308 CB THR A 21 14.880 9.362 -3.946 1.00 0.00 C ATOM 309 OG1 THR A 21 15.645 9.429 -5.140 1.00 0.00 O ATOM 310 CG2 THR A 21 15.584 8.450 -2.941 1.00 0.00 C ATOM 0 H THR A 21 12.731 6.875 -3.931 1.00 0.00 H new ATOM 0 HA THR A 21 12.794 9.060 -3.460 1.00 0.00 H new ATOM 0 HB THR A 21 14.781 10.360 -3.520 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.747 8.529 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.574 8.849 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.998 8.399 -2.023 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.683 7.450 -3.364 1.00 0.00 H new ATOM 318 N ARG A 22 12.478 8.600 -6.476 1.00 0.00 N ATOM 319 CA ARG A 22 11.959 9.110 -7.745 1.00 0.00 C ATOM 320 C ARG A 22 10.604 9.793 -7.526 1.00 0.00 C ATOM 321 O ARG A 22 9.804 9.343 -6.705 1.00 0.00 O ATOM 322 CB ARG A 22 11.816 7.967 -8.759 1.00 0.00 C ATOM 323 CG ARG A 22 10.913 6.875 -8.186 1.00 0.00 C ATOM 324 CD ARG A 22 11.035 5.611 -9.039 1.00 0.00 C ATOM 325 NE ARG A 22 10.156 5.701 -10.200 1.00 0.00 N ATOM 326 CZ ARG A 22 10.514 6.393 -11.276 1.00 0.00 C ATOM 327 NH1 ARG A 22 11.779 6.579 -11.534 1.00 0.00 N ATOM 328 NH2 ARG A 22 9.605 6.886 -12.072 1.00 0.00 N ATOM 0 H ARG A 22 12.417 7.588 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 22 12.663 9.843 -8.140 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.397 8.346 -9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.797 7.554 -8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.195 6.659 -7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.878 7.216 -8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.067 5.481 -9.364 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.776 4.735 -8.444 1.00 0.00 H new ATOM 0 HE ARG A 22 9.254 5.226 -10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.489 6.194 -10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.059 7.110 -12.359 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.616 6.741 -11.869 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.883 7.417 -12.897 1.00 0.00 H new ATOM 342 N PRO A 23 10.339 10.868 -8.232 1.00 0.00 N ATOM 343 CA PRO A 23 9.058 11.618 -8.092 1.00 0.00 C ATOM 344 C PRO A 23 7.859 10.700 -8.274 1.00 0.00 C ATOM 345 O PRO A 23 6.834 10.854 -7.612 1.00 0.00 O ATOM 346 CB PRO A 23 9.078 12.663 -9.213 1.00 0.00 C ATOM 347 CG PRO A 23 10.343 12.466 -9.986 1.00 0.00 C ATOM 348 CD PRO A 23 11.231 11.479 -9.220 1.00 0.00 C ATOM 0 HA PRO A 23 8.970 12.063 -7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.210 12.547 -9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.034 13.670 -8.799 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.123 12.083 -10.982 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.859 13.417 -10.117 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.657 10.729 -9.887 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.066 11.988 -8.739 1.00 0.00 H new ATOM 356 N LEU A 24 8.001 9.742 -9.184 1.00 0.00 N ATOM 357 CA LEU A 24 6.929 8.800 -9.455 1.00 0.00 C ATOM 358 C LEU A 24 6.496 8.126 -8.161 1.00 0.00 C ATOM 359 O LEU A 24 5.304 7.974 -7.898 1.00 0.00 O ATOM 360 CB LEU A 24 7.402 7.745 -10.453 1.00 0.00 C ATOM 361 CG LEU A 24 6.243 6.806 -10.784 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.297 7.476 -11.785 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.804 5.520 -11.388 1.00 0.00 C ATOM 0 H LEU A 24 8.843 9.600 -9.741 1.00 0.00 H new ATOM 0 HA LEU A 24 6.082 9.338 -9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.767 8.225 -11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.235 7.180 -10.035 1.00 0.00 H new ATOM 0 HG LEU A 24 5.688 6.576 -9.875 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.474 6.800 -12.016 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.902 8.395 -11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.842 7.710 -12.700 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.984 4.843 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.357 5.756 -12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.471 5.042 -10.671 1.00 0.00 H new ATOM 375 N SER A 25 7.475 7.745 -7.340 1.00 0.00 N ATOM 376 CA SER A 25 7.178 7.113 -6.063 1.00 0.00 C ATOM 377 C SER A 25 6.448 8.108 -5.178 1.00 0.00 C ATOM 378 O SER A 25 5.461 7.772 -4.525 1.00 0.00 O ATOM 379 CB SER A 25 8.471 6.668 -5.383 1.00 0.00 C ATOM 380 OG SER A 25 9.230 5.880 -6.290 1.00 0.00 O ATOM 0 H SER A 25 8.469 7.863 -7.537 1.00 0.00 H new ATOM 0 HA SER A 25 6.552 6.236 -6.228 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.048 7.538 -5.068 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.244 6.093 -4.485 1.00 0.00 H new ATOM 0 HG SER A 25 9.726 5.196 -5.793 1.00 0.00 H new ATOM 386 N GLN A 26 6.923 9.349 -5.198 1.00 0.00 N ATOM 387 CA GLN A 26 6.287 10.406 -4.430 1.00 0.00 C ATOM 388 C GLN A 26 4.885 10.598 -4.979 1.00 0.00 C ATOM 389 O GLN A 26 3.931 10.862 -4.248 1.00 0.00 O ATOM 390 CB GLN A 26 7.093 11.700 -4.567 1.00 0.00 C ATOM 391 CG GLN A 26 8.499 11.482 -4.008 1.00 0.00 C ATOM 392 CD GLN A 26 8.427 11.198 -2.513 1.00 0.00 C ATOM 393 OE1 GLN A 26 8.001 12.054 -1.736 1.00 0.00 O ATOM 394 NE2 GLN A 26 8.810 10.036 -2.064 1.00 0.00 N ATOM 0 H GLN A 26 7.740 9.643 -5.734 1.00 0.00 H new ATOM 0 HA GLN A 26 6.243 10.142 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.148 11.999 -5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.597 12.509 -4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.979 10.649 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.112 12.364 -4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.162 9.330 -2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.758 9.832 -1.066 1.00 0.00 H new ATOM 403 N HIS A 27 4.789 10.423 -6.289 1.00 0.00 N ATOM 404 CA HIS A 27 3.531 10.529 -7.003 1.00 0.00 C ATOM 405 C HIS A 27 2.597 9.423 -6.518 1.00 0.00 C ATOM 406 O HIS A 27 1.470 9.671 -6.078 1.00 0.00 O ATOM 407 CB HIS A 27 3.832 10.337 -8.489 1.00 0.00 C ATOM 408 CG HIS A 27 2.906 11.148 -9.343 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.610 11.459 -8.968 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.094 11.721 -10.575 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.070 12.192 -9.960 1.00 0.00 C ATOM 412 NE2 HIS A 27 1.933 12.381 -10.965 1.00 0.00 N ATOM 0 H HIS A 27 5.586 10.203 -6.886 1.00 0.00 H new ATOM 0 HA HIS A 27 3.057 11.496 -6.833 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.863 10.625 -8.693 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.738 9.282 -8.748 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.004 11.668 -11.154 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.062 12.580 -9.946 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.774 12.897 -11.830 1.00 0.00 H new ATOM 420 N ILE A 28 3.104 8.195 -6.591 1.00 0.00 N ATOM 421 CA ILE A 28 2.358 7.025 -6.152 1.00 0.00 C ATOM 422 C ILE A 28 2.101 7.077 -4.649 1.00 0.00 C ATOM 423 O ILE A 28 1.065 6.611 -4.175 1.00 0.00 O ATOM 424 CB ILE A 28 3.143 5.755 -6.494 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.280 5.634 -8.012 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.413 4.522 -5.952 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.177 4.442 -8.343 1.00 0.00 C ATOM 0 H ILE A 28 4.035 7.987 -6.953 1.00 0.00 H new ATOM 0 HA ILE A 28 1.398 7.015 -6.668 1.00 0.00 H new ATOM 0 HB ILE A 28 4.131 5.815 -6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.299 5.504 -8.468 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.704 6.549 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.980 3.625 -6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.318 4.602 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.421 4.460 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.278 4.352 -9.425 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.161 4.592 -7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.733 3.530 -7.943 1.00 0.00 H new ATOM 439 N VAL A 29 3.052 7.633 -3.898 1.00 0.00 N ATOM 440 CA VAL A 29 2.899 7.715 -2.452 1.00 0.00 C ATOM 441 C VAL A 29 1.607 8.434 -2.105 1.00 0.00 C ATOM 442 O VAL A 29 0.824 7.959 -1.282 1.00 0.00 O ATOM 443 CB VAL A 29 4.088 8.445 -1.826 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.799 8.715 -0.347 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.341 7.572 -1.947 1.00 0.00 C ATOM 0 H VAL A 29 3.920 8.026 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 29 2.863 6.702 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 29 4.249 9.390 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.646 9.235 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.905 9.333 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.640 7.769 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.190 8.090 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.178 6.628 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.547 7.376 -2.999 1.00 0.00 H new ATOM 455 N GLN A 30 1.368 9.565 -2.756 1.00 0.00 N ATOM 456 CA GLN A 30 0.140 10.301 -2.510 1.00 0.00 C ATOM 457 C GLN A 30 -1.041 9.419 -2.861 1.00 0.00 C ATOM 458 O GLN A 30 -2.022 9.350 -2.120 1.00 0.00 O ATOM 459 CB GLN A 30 0.094 11.580 -3.345 1.00 0.00 C ATOM 460 CG GLN A 30 1.176 12.540 -2.859 1.00 0.00 C ATOM 461 CD GLN A 30 0.956 12.864 -1.385 1.00 0.00 C ATOM 462 OE1 GLN A 30 -0.097 13.382 -1.013 1.00 0.00 O ATOM 463 NE2 GLN A 30 1.892 12.586 -0.516 1.00 0.00 N ATOM 0 H GLN A 30 1.994 9.984 -3.443 1.00 0.00 H new ATOM 0 HA GLN A 30 0.100 10.581 -1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.246 11.346 -4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.887 12.047 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.161 12.094 -3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.154 13.456 -3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.764 12.157 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.750 12.798 0.472 1.00 0.00 H new ATOM 472 N ARG A 31 -0.930 8.717 -3.986 1.00 0.00 N ATOM 473 CA ARG A 31 -1.999 7.821 -4.396 1.00 0.00 C ATOM 474 C ARG A 31 -2.178 6.728 -3.353 1.00 0.00 C ATOM 475 O ARG A 31 -3.299 6.332 -3.044 1.00 0.00 O ATOM 476 CB ARG A 31 -1.702 7.205 -5.765 1.00 0.00 C ATOM 477 CG ARG A 31 -1.797 8.294 -6.834 1.00 0.00 C ATOM 478 CD ARG A 31 -1.776 7.655 -8.221 1.00 0.00 C ATOM 479 NE ARG A 31 -0.553 6.887 -8.410 1.00 0.00 N ATOM 480 CZ ARG A 31 -0.011 6.754 -9.616 1.00 0.00 C ATOM 481 NH1 ARG A 31 0.515 7.788 -10.216 1.00 0.00 N ATOM 482 NH2 ARG A 31 -0.001 5.587 -10.199 1.00 0.00 N ATOM 0 H ARG A 31 -0.128 8.751 -4.615 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.922 8.395 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.707 6.760 -5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.410 6.405 -5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.714 8.869 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.966 8.992 -6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.643 7.005 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.849 8.429 -8.985 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.107 6.445 -7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.510 8.700 -9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.931 7.684 -11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.409 4.779 -9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.415 5.483 -11.125 1.00 0.00 H new ATOM 496 N VAL A 32 -1.067 6.263 -2.795 1.00 0.00 N ATOM 497 CA VAL A 32 -1.127 5.236 -1.765 1.00 0.00 C ATOM 498 C VAL A 32 -1.811 5.799 -0.520 1.00 0.00 C ATOM 499 O VAL A 32 -2.756 5.212 0.002 1.00 0.00 O ATOM 500 CB VAL A 32 0.286 4.758 -1.417 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.227 3.845 -0.191 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.866 3.980 -2.603 1.00 0.00 C ATOM 0 H VAL A 32 -0.126 6.576 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.702 4.388 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 32 0.919 5.619 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.232 3.504 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.189 4.396 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.405 2.984 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.872 3.639 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.233 3.119 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.906 4.628 -3.479 1.00 0.00 H new ATOM 512 N LYS A 33 -1.329 6.950 -0.059 1.00 0.00 N ATOM 513 CA LYS A 33 -1.898 7.600 1.115 1.00 0.00 C ATOM 514 C LYS A 33 -3.352 8.005 0.880 1.00 0.00 C ATOM 515 O LYS A 33 -4.197 7.863 1.763 1.00 0.00 O ATOM 516 CB LYS A 33 -1.088 8.847 1.458 1.00 0.00 C ATOM 517 CG LYS A 33 0.312 8.445 1.929 1.00 0.00 C ATOM 518 CD LYS A 33 1.043 9.685 2.447 1.00 0.00 C ATOM 519 CE LYS A 33 2.496 9.331 2.775 1.00 0.00 C ATOM 520 NZ LYS A 33 2.810 9.759 4.168 1.00 0.00 N ATOM 0 H LYS A 33 -0.547 7.450 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.864 6.887 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.015 9.496 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.594 9.417 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.242 7.694 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.870 7.996 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.012 10.476 1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.543 10.068 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.653 8.258 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.169 9.822 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.797 9.519 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.676 10.787 4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.176 9.271 4.832 1.00 0.00 H new ATOM 534 N ASN A 34 -3.624 8.536 -0.309 1.00 0.00 N ATOM 535 CA ASN A 34 -4.965 8.994 -0.651 1.00 0.00 C ATOM 536 C ASN A 34 -5.984 7.856 -0.625 1.00 0.00 C ATOM 537 O ASN A 34 -7.085 8.012 -0.096 1.00 0.00 O ATOM 538 CB ASN A 34 -4.942 9.620 -2.047 1.00 0.00 C ATOM 539 CG ASN A 34 -4.030 10.842 -2.061 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.202 11.016 -3.056 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -4.071 11.659 -1.141 1.00 0.00 N flip ATOM 0 H ASN A 34 -2.934 8.659 -1.050 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.268 9.728 0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.593 8.888 -2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.951 9.907 -2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.718 11.521 -0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.458 12.474 -1.155 1.00 0.00 H new ATOM 548 N ILE A 35 -5.619 6.720 -1.208 1.00 0.00 N ATOM 549 CA ILE A 35 -6.519 5.571 -1.255 1.00 0.00 C ATOM 550 C ILE A 35 -6.714 4.956 0.129 1.00 0.00 C ATOM 551 O ILE A 35 -7.844 4.733 0.563 1.00 0.00 O ATOM 552 CB ILE A 35 -5.964 4.526 -2.215 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.872 5.133 -3.618 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.896 3.313 -2.246 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.034 4.226 -4.519 1.00 0.00 C ATOM 0 H ILE A 35 -4.713 6.569 -1.652 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.492 5.915 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.974 4.212 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.871 5.256 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.423 6.125 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.498 2.566 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.969 2.884 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.886 3.623 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.971 4.662 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.032 4.126 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.501 3.243 -4.581 1.00 0.00 H new ATOM 567 N LEU A 36 -5.614 4.681 0.821 1.00 0.00 N ATOM 568 CA LEU A 36 -5.705 4.094 2.152 1.00 0.00 C ATOM 569 C LEU A 36 -6.495 5.016 3.069 1.00 0.00 C ATOM 570 O LEU A 36 -7.310 4.566 3.873 1.00 0.00 O ATOM 571 CB LEU A 36 -4.301 3.858 2.714 1.00 0.00 C ATOM 572 CG LEU A 36 -3.554 2.885 1.799 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.156 2.615 2.360 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.337 1.573 1.716 1.00 0.00 C ATOM 0 H LEU A 36 -4.664 4.851 0.490 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.221 3.136 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.759 4.802 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.363 3.452 3.724 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.460 3.320 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.629 1.922 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.601 3.551 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.241 2.180 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.810 0.875 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.429 1.141 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.330 1.767 1.311 1.00 0.00 H new ATOM 586 N ALA A 37 -6.264 6.312 2.920 1.00 0.00 N ATOM 587 CA ALA A 37 -6.977 7.302 3.713 1.00 0.00 C ATOM 588 C ALA A 37 -8.431 7.375 3.264 1.00 0.00 C ATOM 589 O ALA A 37 -9.262 8.011 3.913 1.00 0.00 O ATOM 590 CB ALA A 37 -6.320 8.675 3.553 1.00 0.00 C ATOM 0 H ALA A 37 -5.591 6.701 2.260 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.938 7.008 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.861 9.409 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.285 8.625 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.346 8.971 2.504 1.00 0.00 H new ATOM 596 N ALA A 38 -8.728 6.729 2.139 1.00 0.00 N ATOM 597 CA ALA A 38 -10.082 6.742 1.603 1.00 0.00 C ATOM 598 C ALA A 38 -10.963 5.723 2.319 1.00 0.00 C ATOM 599 O ALA A 38 -12.189 5.840 2.311 1.00 0.00 O ATOM 600 CB ALA A 38 -10.052 6.425 0.106 1.00 0.00 C ATOM 0 H ALA A 38 -8.056 6.196 1.587 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.500 7.736 1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.068 6.436 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.453 7.174 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.614 5.439 -0.048 1.00 0.00 H new ATOM 606 N VAL A 39 -10.339 4.725 2.936 1.00 0.00 N ATOM 607 CA VAL A 39 -11.098 3.702 3.645 1.00 0.00 C ATOM 608 C VAL A 39 -11.360 4.120 5.088 1.00 0.00 C ATOM 609 O VAL A 39 -12.130 3.473 5.798 1.00 0.00 O ATOM 610 CB VAL A 39 -10.348 2.368 3.625 1.00 0.00 C ATOM 611 CG1 VAL A 39 -9.020 2.505 4.373 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.205 1.295 4.304 1.00 0.00 C ATOM 0 H VAL A 39 -9.327 4.603 2.960 1.00 0.00 H new ATOM 0 HA VAL A 39 -12.054 3.583 3.136 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.149 2.083 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.492 1.552 4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.408 3.268 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.213 2.793 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.674 0.343 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.403 1.586 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.149 1.191 3.769 1.00 0.00 H new ATOM 622 N GLU A 40 -10.722 5.202 5.514 1.00 0.00 N ATOM 623 CA GLU A 40 -10.901 5.690 6.878 1.00 0.00 C ATOM 624 C GLU A 40 -10.831 4.533 7.873 1.00 0.00 C ATOM 625 O GLU A 40 -9.787 4.284 8.476 1.00 0.00 O ATOM 626 CB GLU A 40 -12.258 6.386 7.001 1.00 0.00 C ATOM 627 CG GLU A 40 -12.307 7.587 6.053 1.00 0.00 C ATOM 628 CD GLU A 40 -13.652 8.294 6.175 1.00 0.00 C ATOM 629 OE1 GLU A 40 -14.627 7.621 6.469 1.00 0.00 O ATOM 630 OE2 GLU A 40 -13.693 9.493 5.955 1.00 0.00 O ATOM 0 H GLU A 40 -10.082 5.755 4.943 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.103 6.397 7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.059 5.687 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.418 6.714 8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.500 8.280 6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.153 7.256 5.026 1.00 0.00 H new ATOM 637 N ALA A 41 -11.948 3.829 8.031 1.00 0.00 N ATOM 638 CA ALA A 41 -12.014 2.695 8.949 1.00 0.00 C ATOM 639 C ALA A 41 -11.434 3.054 10.314 1.00 0.00 C ATOM 640 O ALA A 41 -10.723 4.048 10.459 1.00 0.00 O ATOM 641 CB ALA A 41 -11.245 1.509 8.364 1.00 0.00 C ATOM 0 H ALA A 41 -12.819 4.023 7.536 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.063 2.428 9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.297 0.666 9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.686 1.225 7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.203 1.790 8.213 1.00 0.00 H new ATOM 647 N THR A 42 -11.746 2.234 11.316 1.00 0.00 N ATOM 648 CA THR A 42 -11.256 2.469 12.669 1.00 0.00 C ATOM 649 C THR A 42 -9.843 1.918 12.826 1.00 0.00 C ATOM 650 O THR A 42 -9.217 2.071 13.876 1.00 0.00 O ATOM 651 CB THR A 42 -12.181 1.793 13.686 1.00 0.00 C ATOM 652 OG1 THR A 42 -11.979 0.387 13.647 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.639 2.104 13.341 1.00 0.00 C ATOM 0 H THR A 42 -12.333 1.406 11.216 1.00 0.00 H new ATOM 0 HA THR A 42 -11.241 3.544 12.849 1.00 0.00 H new ATOM 0 HB THR A 42 -11.956 2.169 14.684 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.569 -0.046 14.298 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.295 1.622 14.066 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.797 3.182 13.369 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.864 1.730 12.342 1.00 0.00 H new ATOM 661 N VAL A 43 -9.350 1.263 11.780 1.00 0.00 N ATOM 662 CA VAL A 43 -8.019 0.679 11.812 1.00 0.00 C ATOM 663 C VAL A 43 -7.088 1.372 10.819 1.00 0.00 C ATOM 664 O VAL A 43 -6.825 0.849 9.736 1.00 0.00 O ATOM 665 CB VAL A 43 -8.115 -0.804 11.467 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.555 -1.592 12.701 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.142 -0.995 10.349 1.00 0.00 C ATOM 0 H VAL A 43 -9.852 1.125 10.903 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.608 0.809 12.813 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.141 -1.165 11.138 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.623 -2.651 12.451 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.827 -1.453 13.500 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.530 -1.234 13.033 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.215 -2.053 10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.115 -0.634 10.683 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.829 -0.434 9.468 1.00 0.00 H new ATOM 677 N PRO A 44 -6.585 2.528 11.165 1.00 0.00 N ATOM 678 CA PRO A 44 -5.665 3.286 10.277 1.00 0.00 C ATOM 679 C PRO A 44 -4.424 2.468 9.923 1.00 0.00 C ATOM 680 O PRO A 44 -3.944 1.675 10.733 1.00 0.00 O ATOM 681 CB PRO A 44 -5.278 4.541 11.067 1.00 0.00 C ATOM 682 CG PRO A 44 -5.978 4.482 12.391 1.00 0.00 C ATOM 683 CD PRO A 44 -6.845 3.220 12.434 1.00 0.00 C ATOM 0 HA PRO A 44 -6.145 3.530 9.329 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.198 4.586 11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.566 5.440 10.522 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.250 4.468 13.202 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.595 5.369 12.532 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.583 2.592 13.285 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.901 3.471 12.536 1.00 0.00 H new ATOM 691 N ILE A 45 -3.909 2.668 8.715 1.00 0.00 N ATOM 692 CA ILE A 45 -2.724 1.943 8.273 1.00 0.00 C ATOM 693 C ILE A 45 -1.479 2.804 8.445 1.00 0.00 C ATOM 694 O ILE A 45 -1.517 4.013 8.222 1.00 0.00 O ATOM 695 CB ILE A 45 -2.844 1.565 6.798 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.134 0.777 6.562 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.635 0.705 6.406 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.254 1.734 6.150 1.00 0.00 C ATOM 0 H ILE A 45 -4.290 3.320 8.030 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.642 1.042 8.881 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.869 2.470 6.191 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.978 0.029 5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.415 0.241 7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.710 0.429 5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.718 1.271 6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.617 -0.197 7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.171 1.170 5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.417 2.465 6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.973 2.250 5.232 1.00 0.00 H new ATOM 710 N SER A 46 -0.369 2.175 8.810 1.00 0.00 N ATOM 711 CA SER A 46 0.876 2.909 8.967 1.00 0.00 C ATOM 712 C SER A 46 1.734 2.692 7.731 1.00 0.00 C ATOM 713 O SER A 46 2.118 1.564 7.423 1.00 0.00 O ATOM 714 CB SER A 46 1.622 2.431 10.214 1.00 0.00 C ATOM 715 OG SER A 46 2.739 3.278 10.446 1.00 0.00 O ATOM 0 H SER A 46 -0.306 1.175 9.000 1.00 0.00 H new ATOM 0 HA SER A 46 0.660 3.971 9.084 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.956 2.443 11.077 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.953 1.401 10.081 1.00 0.00 H new ATOM 0 HG SER A 46 3.218 2.976 11.245 1.00 0.00 H new ATOM 721 N LEU A 47 2.012 3.771 7.009 1.00 0.00 N ATOM 722 CA LEU A 47 2.806 3.664 5.794 1.00 0.00 C ATOM 723 C LEU A 47 4.245 4.079 6.063 1.00 0.00 C ATOM 724 O LEU A 47 4.512 5.205 6.480 1.00 0.00 O ATOM 725 CB LEU A 47 2.206 4.559 4.704 1.00 0.00 C ATOM 726 CG LEU A 47 2.494 3.990 3.305 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.291 5.096 2.266 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.938 3.483 3.212 1.00 0.00 C ATOM 0 H LEU A 47 1.704 4.716 7.240 1.00 0.00 H new ATOM 0 HA LEU A 47 2.796 2.627 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.129 4.645 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.620 5.564 4.784 1.00 0.00 H new ATOM 0 HG LEU A 47 1.815 3.158 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.493 4.701 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.263 5.454 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.972 5.921 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.120 3.085 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.626 4.306 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.096 2.697 3.951 1.00 0.00 H new ATOM 740 N GLN A 48 5.166 3.164 5.809 1.00 0.00 N ATOM 741 CA GLN A 48 6.572 3.433 6.010 1.00 0.00 C ATOM 742 C GLN A 48 7.327 3.205 4.710 1.00 0.00 C ATOM 743 O GLN A 48 7.189 2.158 4.076 1.00 0.00 O ATOM 744 CB GLN A 48 7.113 2.512 7.099 1.00 0.00 C ATOM 745 CG GLN A 48 6.784 3.091 8.476 1.00 0.00 C ATOM 746 CD GLN A 48 7.287 2.152 9.570 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.876 2.601 10.552 1.00 0.00 O ATOM 748 NE2 GLN A 48 7.087 0.866 9.458 1.00 0.00 N ATOM 0 H GLN A 48 4.960 2.227 5.462 1.00 0.00 H new ATOM 0 HA GLN A 48 6.706 4.470 6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.676 1.518 6.998 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.192 2.399 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.245 4.072 8.587 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.708 3.232 8.573 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.598 0.495 8.643 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.419 0.233 10.185 1.00 0.00 H new ATOM 757 N VAL A 49 8.118 4.188 4.313 1.00 0.00 N ATOM 758 CA VAL A 49 8.884 4.080 3.080 1.00 0.00 C ATOM 759 C VAL A 49 10.311 3.675 3.378 1.00 0.00 C ATOM 760 O VAL A 49 10.926 4.163 4.326 1.00 0.00 O ATOM 761 CB VAL A 49 8.890 5.404 2.323 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.567 5.206 0.965 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.450 5.877 2.114 1.00 0.00 C ATOM 0 H VAL A 49 8.247 5.063 4.821 1.00 0.00 H new ATOM 0 HA VAL A 49 8.409 3.318 2.462 1.00 0.00 H new ATOM 0 HB VAL A 49 9.437 6.152 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.573 6.150 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.592 4.867 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.019 4.460 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.453 6.823 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.902 5.131 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.968 6.014 3.082 1.00 0.00 H new ATOM 773 N ILE A 50 10.833 2.786 2.557 1.00 0.00 N ATOM 774 CA ILE A 50 12.191 2.327 2.731 1.00 0.00 C ATOM 775 C ILE A 50 12.984 2.671 1.480 1.00 0.00 C ATOM 776 O ILE A 50 12.583 2.320 0.370 1.00 0.00 O ATOM 777 CB ILE A 50 12.181 0.818 2.967 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.068 0.491 3.965 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.528 0.373 3.544 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.020 -1.018 4.206 1.00 0.00 C ATOM 0 H ILE A 50 10.338 2.370 1.768 1.00 0.00 H new ATOM 0 HA ILE A 50 12.655 2.811 3.591 1.00 0.00 H new ATOM 0 HB ILE A 50 12.010 0.297 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.244 1.014 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.109 0.839 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.515 -0.704 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.324 0.622 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.705 0.884 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.227 -1.248 4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.823 -1.531 3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.976 -1.353 4.609 1.00 0.00 H new ATOM 792 N ASN A 51 14.098 3.371 1.651 1.00 0.00 N ATOM 793 CA ASN A 51 14.900 3.752 0.504 1.00 0.00 C ATOM 794 C ASN A 51 15.750 2.569 0.056 1.00 0.00 C ATOM 795 O ASN A 51 16.678 2.155 0.751 1.00 0.00 O ATOM 796 CB ASN A 51 15.799 4.942 0.854 1.00 0.00 C ATOM 797 CG ASN A 51 16.724 5.263 -0.316 1.00 0.00 C ATOM 798 OD1 ASN A 51 17.684 4.534 -0.569 1.00 0.00 O ATOM 799 ND2 ASN A 51 16.498 6.320 -1.048 1.00 0.00 N ATOM 0 H ASN A 51 14.458 3.679 2.554 1.00 0.00 H new ATOM 0 HA ASN A 51 14.237 4.046 -0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.187 5.812 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.389 4.713 1.742 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.116 6.541 -1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.703 6.924 -0.839 1.00 0.00 H new ATOM 806 N VAL A 52 15.414 2.024 -1.108 1.00 0.00 N ATOM 807 CA VAL A 52 16.134 0.873 -1.646 1.00 0.00 C ATOM 808 C VAL A 52 17.630 1.156 -1.741 1.00 0.00 C ATOM 809 O VAL A 52 18.451 0.247 -1.613 1.00 0.00 O ATOM 810 CB VAL A 52 15.592 0.529 -3.035 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.161 0.004 -2.910 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.599 1.788 -3.907 1.00 0.00 C ATOM 0 H VAL A 52 14.651 2.358 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 52 15.984 0.031 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 52 16.219 -0.236 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.776 -0.241 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.155 -0.890 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.532 0.768 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.213 1.547 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.970 2.551 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.618 2.163 -3.996 1.00 0.00 H new ATOM 822 N ALA A 53 17.975 2.415 -1.973 1.00 0.00 N ATOM 823 CA ALA A 53 19.371 2.804 -2.094 1.00 0.00 C ATOM 824 C ALA A 53 20.062 2.792 -0.736 1.00 0.00 C ATOM 825 O ALA A 53 21.284 2.661 -0.655 1.00 0.00 O ATOM 826 CB ALA A 53 19.470 4.200 -2.712 1.00 0.00 C ATOM 0 H ALA A 53 17.310 3.181 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 53 19.871 2.083 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.518 4.485 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.012 4.193 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.951 4.917 -2.076 1.00 0.00 H new ATOM 832 N ASP A 54 19.283 2.941 0.331 1.00 0.00 N ATOM 833 CA ASP A 54 19.858 2.955 1.668 1.00 0.00 C ATOM 834 C ASP A 54 19.931 1.550 2.252 1.00 0.00 C ATOM 835 O ASP A 54 20.672 1.305 3.204 1.00 0.00 O ATOM 836 CB ASP A 54 19.025 3.838 2.600 1.00 0.00 C ATOM 837 CG ASP A 54 19.112 5.298 2.165 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.808 5.568 1.199 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.490 6.125 2.811 1.00 0.00 O ATOM 0 H ASP A 54 18.270 3.052 0.297 1.00 0.00 H new ATOM 0 HA ASP A 54 20.868 3.357 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.986 3.510 2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.382 3.735 3.625 1.00 0.00 H new ATOM 844 N GLN A 55 19.153 0.630 1.692 1.00 0.00 N ATOM 845 CA GLN A 55 19.145 -0.737 2.193 1.00 0.00 C ATOM 846 C GLN A 55 18.470 -1.687 1.208 1.00 0.00 C ATOM 847 O GLN A 55 17.348 -2.130 1.431 1.00 0.00 O ATOM 848 CB GLN A 55 18.410 -0.778 3.532 1.00 0.00 C ATOM 849 CG GLN A 55 16.922 -0.515 3.300 1.00 0.00 C ATOM 850 CD GLN A 55 16.368 0.375 4.407 1.00 0.00 C ATOM 851 OE1 GLN A 55 15.493 -0.113 5.244 1.00 0.00 O flip ATOM 852 NE2 GLN A 55 16.739 1.543 4.513 1.00 0.00 N flip ATOM 0 H GLN A 55 18.529 0.803 0.903 1.00 0.00 H new ATOM 0 HA GLN A 55 20.177 -1.063 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.550 -1.749 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.822 -0.030 4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.776 -0.037 2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.378 -1.459 3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 55 17.423 1.922 3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.363 2.132 5.256 1.00 0.00 H new ATOM 861 N PRO A 56 19.141 -2.007 0.140 1.00 0.00 N ATOM 862 CA PRO A 56 18.622 -2.935 -0.904 1.00 0.00 C ATOM 863 C PRO A 56 18.619 -4.392 -0.444 1.00 0.00 C ATOM 864 O PRO A 56 18.188 -5.283 -1.177 1.00 0.00 O ATOM 865 CB PRO A 56 19.579 -2.767 -2.087 1.00 0.00 C ATOM 866 CG PRO A 56 20.602 -1.745 -1.694 1.00 0.00 C ATOM 867 CD PRO A 56 20.476 -1.508 -0.191 1.00 0.00 C ATOM 0 HA PRO A 56 17.586 -2.699 -1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.058 -3.715 -2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.037 -2.445 -2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.604 -2.094 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.443 -0.816 -2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.249 -2.041 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.579 -0.451 0.056 1.00 0.00 H new ATOM 875 N GLN A 57 19.137 -4.635 0.752 1.00 0.00 N ATOM 876 CA GLN A 57 19.225 -5.999 1.268 1.00 0.00 C ATOM 877 C GLN A 57 17.846 -6.608 1.512 1.00 0.00 C ATOM 878 O GLN A 57 17.609 -7.758 1.138 1.00 0.00 O ATOM 879 CB GLN A 57 20.023 -6.012 2.572 1.00 0.00 C ATOM 880 CG GLN A 57 20.292 -7.460 2.984 1.00 0.00 C ATOM 881 CD GLN A 57 20.945 -7.502 4.362 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.249 -6.385 4.961 1.00 0.00 O flip ATOM 883 NE2 GLN A 57 21.180 -8.580 4.906 1.00 0.00 N flip ATOM 0 H GLN A 57 19.499 -3.917 1.379 1.00 0.00 H new ATOM 0 HA GLN A 57 19.730 -6.601 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 57 20.964 -5.478 2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.469 -5.495 3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.358 -8.021 2.999 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.941 -7.940 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.941 -9.452 4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.614 -8.602 5.829 1.00 0.00 H new ATOM 892 N LEU A 58 16.931 -5.856 2.115 1.00 0.00 N ATOM 893 CA LEU A 58 15.597 -6.393 2.351 1.00 0.00 C ATOM 894 C LEU A 58 14.822 -6.460 1.034 1.00 0.00 C ATOM 895 O LEU A 58 13.887 -7.246 0.896 1.00 0.00 O ATOM 896 CB LEU A 58 14.825 -5.568 3.392 1.00 0.00 C ATOM 897 CG LEU A 58 15.275 -4.115 3.363 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.204 -3.604 1.931 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.350 -3.278 4.251 1.00 0.00 C ATOM 0 H LEU A 58 17.081 -4.901 2.441 1.00 0.00 H new ATOM 0 HA LEU A 58 15.707 -7.400 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.755 -5.627 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 58 14.986 -5.985 4.386 1.00 0.00 H new ATOM 0 HG LEU A 58 16.298 -4.036 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.525 -2.563 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.857 -4.204 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.179 -3.679 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.671 -2.237 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.327 -3.349 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.392 -3.651 5.274 1.00 0.00 H new ATOM 911 N VAL A 59 15.233 -5.641 0.060 1.00 0.00 N ATOM 912 CA VAL A 59 14.584 -5.632 -1.247 1.00 0.00 C ATOM 913 C VAL A 59 14.810 -6.975 -1.930 1.00 0.00 C ATOM 914 O VAL A 59 13.875 -7.594 -2.440 1.00 0.00 O ATOM 915 CB VAL A 59 15.167 -4.504 -2.105 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.458 -4.468 -3.456 1.00 0.00 C ATOM 917 CG2 VAL A 59 14.960 -3.162 -1.397 1.00 0.00 C ATOM 0 H VAL A 59 16.006 -4.982 0.154 1.00 0.00 H new ATOM 0 HA VAL A 59 13.514 -5.465 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 59 16.232 -4.682 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.874 -3.665 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.599 -5.421 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.393 -4.293 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.375 -2.360 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.894 -2.990 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.463 -3.179 -0.430 1.00 0.00 H new ATOM 927 N GLU A 60 16.057 -7.433 -1.906 1.00 0.00 N ATOM 928 CA GLU A 60 16.400 -8.720 -2.495 1.00 0.00 C ATOM 929 C GLU A 60 15.802 -9.841 -1.654 1.00 0.00 C ATOM 930 O GLU A 60 15.381 -10.870 -2.180 1.00 0.00 O ATOM 931 CB GLU A 60 17.920 -8.868 -2.573 1.00 0.00 C ATOM 932 CG GLU A 60 18.469 -7.873 -3.597 1.00 0.00 C ATOM 933 CD GLU A 60 19.980 -8.029 -3.721 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.571 -8.623 -2.834 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.527 -7.544 -4.698 1.00 0.00 O ATOM 0 H GLU A 60 16.842 -6.935 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 60 15.992 -8.777 -3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.366 -8.686 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.184 -9.886 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.998 -8.039 -4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.224 -6.855 -3.294 1.00 0.00 H new ATOM 942 N TYR A 61 15.750 -9.622 -0.343 1.00 0.00 N ATOM 943 CA TYR A 61 15.175 -10.615 0.555 1.00 0.00 C ATOM 944 C TYR A 61 13.749 -10.910 0.135 1.00 0.00 C ATOM 945 O TYR A 61 13.317 -12.061 0.106 1.00 0.00 O ATOM 946 CB TYR A 61 15.184 -10.104 1.994 1.00 0.00 C ATOM 947 CG TYR A 61 14.511 -11.122 2.880 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.137 -12.346 3.142 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.257 -10.842 3.436 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.510 -13.293 3.961 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.629 -11.788 4.256 1.00 0.00 C ATOM 952 CZ TYR A 61 13.255 -13.014 4.517 1.00 0.00 C ATOM 953 OH TYR A 61 12.638 -13.947 5.325 1.00 0.00 O ATOM 0 H TYR A 61 16.094 -8.778 0.115 1.00 0.00 H new ATOM 0 HA TYR A 61 15.773 -11.525 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.208 -9.933 2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.665 -9.148 2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.104 -12.560 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.774 -9.897 3.233 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.993 -14.237 4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.662 -11.572 4.687 1.00 0.00 H new ATOM 0 HH TYR A 61 11.775 -13.596 5.630 1.00 0.00 H new ATOM 963 N TYR A 62 13.029 -9.852 -0.210 1.00 0.00 N ATOM 964 CA TYR A 62 11.657 -9.982 -0.652 1.00 0.00 C ATOM 965 C TYR A 62 11.636 -10.300 -2.138 1.00 0.00 C ATOM 966 O TYR A 62 10.625 -10.104 -2.811 1.00 0.00 O ATOM 967 CB TYR A 62 10.911 -8.672 -0.398 1.00 0.00 C ATOM 968 CG TYR A 62 10.813 -8.410 1.085 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.192 -9.341 1.924 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.341 -7.226 1.620 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.098 -9.093 3.299 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.247 -6.978 2.996 1.00 0.00 C ATOM 973 CZ TYR A 62 10.625 -7.910 3.835 1.00 0.00 C ATOM 974 OH TYR A 62 10.532 -7.666 5.191 1.00 0.00 O ATOM 0 H TYR A 62 13.378 -8.894 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 62 11.170 -10.786 -0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.430 -7.848 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.913 -8.723 -0.833 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.785 -10.252 1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.819 -6.506 0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.620 -9.813 3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.655 -6.067 3.409 1.00 0.00 H new ATOM 0 HH TYR A 62 10.948 -6.803 5.397 1.00 0.00 H new ATOM 984 N ARG A 63 12.772 -10.769 -2.650 1.00 0.00 N ATOM 985 CA ARG A 63 12.879 -11.081 -4.067 1.00 0.00 C ATOM 986 C ARG A 63 12.449 -9.867 -4.870 1.00 0.00 C ATOM 987 O ARG A 63 12.353 -9.908 -6.096 1.00 0.00 O ATOM 988 CB ARG A 63 12.005 -12.280 -4.421 1.00 0.00 C ATOM 989 CG ARG A 63 12.548 -13.526 -3.724 1.00 0.00 C ATOM 990 CD ARG A 63 11.783 -14.751 -4.216 1.00 0.00 C ATOM 991 NE ARG A 63 12.156 -15.930 -3.440 1.00 0.00 N ATOM 992 CZ ARG A 63 11.351 -16.987 -3.363 1.00 0.00 C ATOM 993 NH1 ARG A 63 10.386 -17.139 -4.229 1.00 0.00 N ATOM 994 NH2 ARG A 63 11.531 -17.877 -2.425 1.00 0.00 N ATOM 0 H ARG A 63 13.620 -10.939 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 63 13.912 -11.335 -4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.975 -12.097 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.993 -12.430 -5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.612 -13.639 -3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.444 -13.427 -2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.710 -14.576 -4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.995 -14.920 -5.272 1.00 0.00 H new ATOM 0 HE ARG A 63 13.049 -15.944 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.248 -16.447 -4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.770 -17.950 -4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.288 -17.762 -1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.914 -18.687 -2.366 1.00 0.00 H new ATOM 1008 N LEU A 64 12.208 -8.782 -4.148 1.00 0.00 N ATOM 1009 CA LEU A 64 11.806 -7.528 -4.758 1.00 0.00 C ATOM 1010 C LEU A 64 12.926 -7.054 -5.682 1.00 0.00 C ATOM 1011 O LEU A 64 14.095 -7.063 -5.299 1.00 0.00 O ATOM 1012 CB LEU A 64 11.548 -6.511 -3.634 1.00 0.00 C ATOM 1013 CG LEU A 64 10.669 -5.353 -4.108 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.380 -4.569 -5.202 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.340 -5.892 -4.634 1.00 0.00 C ATOM 0 H LEU A 64 12.285 -8.748 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 64 10.897 -7.644 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.067 -7.012 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.499 -6.121 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 64 10.477 -4.688 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.745 -3.747 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.317 -4.170 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.588 -5.228 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.718 -5.062 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.526 -6.567 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.826 -6.432 -3.839 1.00 0.00 H new ATOM 1027 N VAL A 65 12.578 -6.668 -6.903 1.00 0.00 N ATOM 1028 CA VAL A 65 13.592 -6.223 -7.859 1.00 0.00 C ATOM 1029 C VAL A 65 13.120 -5.009 -8.654 1.00 0.00 C ATOM 1030 O VAL A 65 13.893 -4.425 -9.413 1.00 0.00 O ATOM 1031 CB VAL A 65 13.931 -7.353 -8.832 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.415 -7.281 -9.200 1.00 0.00 C ATOM 1033 CG2 VAL A 65 13.634 -8.705 -8.180 1.00 0.00 C ATOM 0 H VAL A 65 11.620 -6.652 -7.253 1.00 0.00 H new ATOM 0 HA VAL A 65 14.477 -5.942 -7.288 1.00 0.00 H new ATOM 0 HB VAL A 65 13.325 -7.246 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.657 -8.086 -9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.627 -6.321 -9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.019 -7.385 -8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.877 -9.507 -8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.236 -8.814 -7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.577 -8.759 -7.920 1.00 0.00 H new ATOM 1043 N VAL A 66 11.857 -4.637 -8.492 1.00 0.00 N ATOM 1044 CA VAL A 66 11.320 -3.502 -9.216 1.00 0.00 C ATOM 1045 C VAL A 66 10.885 -2.396 -8.265 1.00 0.00 C ATOM 1046 O VAL A 66 10.399 -2.659 -7.165 1.00 0.00 O ATOM 1047 CB VAL A 66 10.119 -3.945 -10.044 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.571 -4.893 -11.156 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.109 -4.658 -9.142 1.00 0.00 C ATOM 0 H VAL A 66 11.194 -5.102 -7.871 1.00 0.00 H new ATOM 0 HA VAL A 66 12.105 -3.114 -9.865 1.00 0.00 H new ATOM 0 HB VAL A 66 9.652 -3.068 -10.491 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.707 -5.204 -11.742 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.283 -4.381 -11.803 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.046 -5.770 -10.716 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.251 -4.974 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.579 -5.531 -8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.777 -3.977 -8.358 1.00 0.00 H new ATOM 1059 N THR A 67 11.046 -1.158 -8.716 1.00 0.00 N ATOM 1060 CA THR A 67 10.651 -0.002 -7.927 1.00 0.00 C ATOM 1061 C THR A 67 10.003 1.036 -8.842 1.00 0.00 C ATOM 1062 O THR A 67 10.351 1.128 -10.019 1.00 0.00 O ATOM 1063 CB THR A 67 11.863 0.606 -7.220 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.949 0.691 -8.130 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.258 -0.274 -6.033 1.00 0.00 C ATOM 0 H THR A 67 11.448 -0.931 -9.625 1.00 0.00 H new ATOM 0 HA THR A 67 9.935 -0.317 -7.168 1.00 0.00 H new ATOM 0 HB THR A 67 11.611 1.604 -6.862 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.725 1.082 -7.677 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.122 0.160 -5.530 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.424 -0.337 -5.334 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.510 -1.273 -6.389 1.00 0.00 H new ATOM 1073 N PRO A 68 9.069 1.801 -8.342 1.00 0.00 N ATOM 1074 CA PRO A 68 8.612 1.729 -6.928 1.00 0.00 C ATOM 1075 C PRO A 68 7.775 0.481 -6.666 1.00 0.00 C ATOM 1076 O PRO A 68 7.223 -0.111 -7.593 1.00 0.00 O ATOM 1077 CB PRO A 68 7.779 3.002 -6.725 1.00 0.00 C ATOM 1078 CG PRO A 68 7.792 3.751 -8.025 1.00 0.00 C ATOM 1079 CD PRO A 68 8.339 2.816 -9.097 1.00 0.00 C ATOM 0 HA PRO A 68 9.452 1.665 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.758 2.752 -6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.197 3.612 -5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.787 4.083 -8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.412 4.644 -7.945 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.537 2.374 -9.688 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.993 3.344 -9.791 1.00 0.00 H new ATOM 1087 N ALA A 69 7.702 0.073 -5.406 1.00 0.00 N ATOM 1088 CA ALA A 69 6.947 -1.120 -5.051 1.00 0.00 C ATOM 1089 C ALA A 69 6.333 -0.979 -3.659 1.00 0.00 C ATOM 1090 O ALA A 69 6.833 -0.227 -2.821 1.00 0.00 O ATOM 1091 CB ALA A 69 7.879 -2.334 -5.072 1.00 0.00 C ATOM 0 H ALA A 69 8.151 0.545 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 69 6.143 -1.251 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.317 -3.229 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.300 -2.453 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.686 -2.186 -4.354 1.00 0.00 H new ATOM 1097 N LEU A 70 5.245 -1.706 -3.421 1.00 0.00 N ATOM 1098 CA LEU A 70 4.566 -1.657 -2.132 1.00 0.00 C ATOM 1099 C LEU A 70 4.426 -3.064 -1.557 1.00 0.00 C ATOM 1100 O LEU A 70 4.001 -3.986 -2.254 1.00 0.00 O ATOM 1101 CB LEU A 70 3.182 -1.025 -2.295 1.00 0.00 C ATOM 1102 CG LEU A 70 2.676 -0.550 -0.932 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.482 0.386 -1.126 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.246 -1.751 -0.091 1.00 0.00 C ATOM 0 H LEU A 70 4.817 -2.333 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 70 5.158 -1.051 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.233 -0.186 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.487 -1.749 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 70 3.478 -0.019 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.123 0.724 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.788 1.248 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.683 -0.145 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.887 -1.406 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.448 -2.287 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.096 -2.417 0.053 1.00 0.00 H new ATOM 1116 N VAL A 71 4.802 -3.233 -0.291 1.00 0.00 N ATOM 1117 CA VAL A 71 4.722 -4.547 0.336 1.00 0.00 C ATOM 1118 C VAL A 71 4.028 -4.487 1.697 1.00 0.00 C ATOM 1119 O VAL A 71 4.433 -3.732 2.581 1.00 0.00 O ATOM 1120 CB VAL A 71 6.139 -5.105 0.508 1.00 0.00 C ATOM 1121 CG1 VAL A 71 6.072 -6.556 0.981 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.885 -5.038 -0.832 1.00 0.00 C ATOM 0 H VAL A 71 5.159 -2.490 0.310 1.00 0.00 H new ATOM 0 HA VAL A 71 4.130 -5.196 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 71 6.669 -4.509 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.083 -6.947 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.549 -6.604 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.537 -7.155 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.892 -5.435 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.351 -5.629 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.942 -4.002 -1.165 1.00 0.00 H new ATOM 1132 N LYS A 72 2.996 -5.316 1.865 1.00 0.00 N ATOM 1133 CA LYS A 72 2.265 -5.382 3.131 1.00 0.00 C ATOM 1134 C LYS A 72 2.910 -6.436 4.026 1.00 0.00 C ATOM 1135 O LYS A 72 3.149 -7.564 3.592 1.00 0.00 O ATOM 1136 CB LYS A 72 0.795 -5.746 2.884 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.009 -5.514 4.167 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.121 -6.559 4.257 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.341 -5.952 4.948 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.981 -6.984 5.809 1.00 0.00 N ATOM 0 H LYS A 72 2.649 -5.948 1.144 1.00 0.00 H new ATOM 0 HA LYS A 72 2.304 -4.407 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.390 -5.140 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.714 -6.788 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.644 -5.584 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.435 -4.511 4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.390 -6.905 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.772 -7.429 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.043 -5.093 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.052 -5.590 4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.015 -6.895 5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.696 -7.931 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.680 -6.849 6.795 1.00 0.00 H new ATOM 1154 N ILE A 73 3.211 -6.062 5.265 1.00 0.00 N ATOM 1155 CA ILE A 73 3.853 -6.997 6.185 1.00 0.00 C ATOM 1156 C ILE A 73 2.866 -7.594 7.183 1.00 0.00 C ATOM 1157 O ILE A 73 3.106 -8.676 7.716 1.00 0.00 O ATOM 1158 CB ILE A 73 4.987 -6.297 6.940 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.675 -4.802 7.074 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.301 -6.485 6.179 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.216 -4.047 5.855 1.00 0.00 C ATOM 0 H ILE A 73 3.026 -5.136 5.651 1.00 0.00 H new ATOM 0 HA ILE A 73 4.254 -7.815 5.586 1.00 0.00 H new ATOM 0 HB ILE A 73 5.081 -6.733 7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.599 -4.652 7.158 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.124 -4.408 7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.107 -5.987 6.717 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.524 -7.549 6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.209 -6.054 5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.991 -2.985 5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.295 -4.185 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.747 -4.433 4.950 1.00 0.00 H new ATOM 1173 N GLY A 74 1.757 -6.910 7.440 1.00 0.00 N ATOM 1174 CA GLY A 74 0.780 -7.440 8.383 1.00 0.00 C ATOM 1175 C GLY A 74 0.019 -6.323 9.091 1.00 0.00 C ATOM 1176 O GLY A 74 0.055 -5.172 8.657 1.00 0.00 O ATOM 0 H GLY A 74 1.516 -6.012 7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.076 -8.083 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.286 -8.061 9.122 1.00 0.00 H new ATOM 1180 N PRO A 75 -0.672 -6.637 10.162 1.00 0.00 N ATOM 1181 CA PRO A 75 -0.746 -8.020 10.727 1.00 0.00 C ATOM 1182 C PRO A 75 -1.496 -8.997 9.827 1.00 0.00 C ATOM 1183 O PRO A 75 -1.661 -10.166 10.173 1.00 0.00 O ATOM 1184 CB PRO A 75 -1.481 -7.866 12.062 1.00 0.00 C ATOM 1185 CG PRO A 75 -1.790 -6.413 12.240 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.459 -5.683 10.941 1.00 0.00 C ATOM 0 HA PRO A 75 0.255 -8.438 10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.397 -8.456 12.065 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.864 -8.230 12.884 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.842 -6.278 12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.209 -6.001 13.065 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.365 -5.392 10.410 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.895 -4.770 11.134 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.932 -8.523 8.669 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.641 -9.383 7.732 1.00 0.00 C ATOM 1196 C GLY A 76 -1.644 -10.161 6.883 1.00 0.00 C ATOM 1197 O GLY A 76 -0.449 -10.181 7.178 1.00 0.00 O ATOM 0 H GLY A 76 -1.810 -7.559 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.285 -10.074 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.286 -8.782 7.091 1.00 0.00 H new ATOM 1201 N SER A 77 -2.134 -10.799 5.830 1.00 0.00 N ATOM 1202 CA SER A 77 -1.262 -11.572 4.955 1.00 0.00 C ATOM 1203 C SER A 77 -0.188 -10.691 4.331 1.00 0.00 C ATOM 1204 O SER A 77 -0.374 -9.487 4.152 1.00 0.00 O ATOM 1205 CB SER A 77 -2.076 -12.232 3.849 1.00 0.00 C ATOM 1206 OG SER A 77 -1.217 -12.558 2.766 1.00 0.00 O ATOM 0 H SER A 77 -3.118 -10.798 5.562 1.00 0.00 H new ATOM 0 HA SER A 77 -0.778 -12.338 5.561 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.562 -13.132 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.866 -11.560 3.513 1.00 0.00 H new ATOM 0 HG SER A 77 -1.737 -12.984 2.053 1.00 0.00 H new ATOM 1212 N ARG A 78 0.930 -11.315 3.989 1.00 0.00 N ATOM 1213 CA ARG A 78 2.041 -10.604 3.364 1.00 0.00 C ATOM 1214 C ARG A 78 1.837 -10.577 1.852 1.00 0.00 C ATOM 1215 O ARG A 78 1.572 -11.615 1.245 1.00 0.00 O ATOM 1216 CB ARG A 78 3.356 -11.312 3.691 1.00 0.00 C ATOM 1217 CG ARG A 78 4.533 -10.491 3.162 1.00 0.00 C ATOM 1218 CD ARG A 78 5.844 -11.159 3.580 1.00 0.00 C ATOM 1219 NE ARG A 78 5.981 -12.452 2.921 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.876 -12.637 1.957 1.00 0.00 C ATOM 1221 NH1 ARG A 78 7.200 -11.649 1.169 1.00 0.00 N ATOM 1222 NH2 ARG A 78 7.434 -13.807 1.798 1.00 0.00 N ATOM 0 H ARG A 78 1.094 -12.311 4.133 1.00 0.00 H new ATOM 0 HA ARG A 78 2.079 -9.584 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.449 -11.445 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.365 -12.306 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.480 -10.416 2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.488 -9.475 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.687 -10.518 3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.866 -11.290 4.662 1.00 0.00 H new ATOM 0 HE ARG A 78 5.381 -13.226 3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.766 -10.734 1.293 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.887 -11.791 0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.183 -14.580 2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.121 -13.948 1.057 1.00 0.00 H new ATOM 1236 N GLN A 79 1.943 -9.401 1.245 1.00 0.00 N ATOM 1237 CA GLN A 79 1.744 -9.303 -0.198 1.00 0.00 C ATOM 1238 C GLN A 79 2.684 -8.274 -0.817 1.00 0.00 C ATOM 1239 O GLN A 79 3.127 -7.343 -0.148 1.00 0.00 O ATOM 1240 CB GLN A 79 0.293 -8.925 -0.486 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.631 -9.884 0.268 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.075 -9.681 -0.175 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.642 -8.607 0.025 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.708 -10.654 -0.771 1.00 0.00 N ATOM 0 H GLN A 79 2.160 -8.522 1.714 1.00 0.00 H new ATOM 0 HA GLN A 79 1.968 -10.272 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.103 -7.897 -0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.096 -8.976 -1.557 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.327 -10.914 0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.545 -9.715 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.237 -11.543 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.674 -10.525 -1.072 1.00 0.00 H new ATOM 1253 N VAL A 80 2.988 -8.453 -2.100 1.00 0.00 N ATOM 1254 CA VAL A 80 3.885 -7.532 -2.789 1.00 0.00 C ATOM 1255 C VAL A 80 3.223 -6.917 -4.021 1.00 0.00 C ATOM 1256 O VAL A 80 2.831 -7.625 -4.948 1.00 0.00 O ATOM 1257 CB VAL A 80 5.150 -8.282 -3.214 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.116 -7.319 -3.909 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.825 -8.876 -1.978 1.00 0.00 C ATOM 0 H VAL A 80 2.632 -9.216 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 80 4.134 -6.724 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 80 4.881 -9.081 -3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.014 -7.858 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.636 -6.895 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.387 -6.517 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.726 -9.411 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.091 -8.075 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.140 -9.566 -1.486 1.00 0.00 H new ATOM 1269 N LEU A 81 3.133 -5.590 -4.032 1.00 0.00 N ATOM 1270 CA LEU A 81 2.555 -4.881 -5.166 1.00 0.00 C ATOM 1271 C LEU A 81 3.605 -3.962 -5.774 1.00 0.00 C ATOM 1272 O LEU A 81 4.243 -3.189 -5.062 1.00 0.00 O ATOM 1273 CB LEU A 81 1.347 -4.055 -4.724 1.00 0.00 C ATOM 1274 CG LEU A 81 0.419 -4.902 -3.850 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.628 -3.991 -3.219 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.301 -5.960 -4.694 1.00 0.00 C ATOM 0 H LEU A 81 3.451 -4.988 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 81 2.226 -5.610 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.680 -3.178 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.805 -3.693 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 81 1.014 -5.400 -3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.296 -4.583 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.133 -3.236 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.205 -3.502 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.956 -6.552 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.894 -5.468 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.435 -6.613 -5.164 1.00 0.00 H new ATOM 1288 N SER A 82 3.789 -4.047 -7.084 1.00 0.00 N ATOM 1289 CA SER A 82 4.777 -3.209 -7.752 1.00 0.00 C ATOM 1290 C SER A 82 4.451 -3.038 -9.223 1.00 0.00 C ATOM 1291 O SER A 82 3.581 -3.719 -9.769 1.00 0.00 O ATOM 1292 CB SER A 82 6.168 -3.826 -7.627 1.00 0.00 C ATOM 1293 OG SER A 82 7.081 -3.094 -8.435 1.00 0.00 O ATOM 0 H SER A 82 3.276 -4.678 -7.699 1.00 0.00 H new ATOM 0 HA SER A 82 4.756 -2.233 -7.268 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.493 -3.811 -6.587 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.145 -4.870 -7.939 1.00 0.00 H new ATOM 0 HG SER A 82 7.196 -2.194 -8.065 1.00 0.00 H new ATOM 1299 N GLY A 83 5.176 -2.136 -9.865 1.00 0.00 N ATOM 1300 CA GLY A 83 4.984 -1.890 -11.289 1.00 0.00 C ATOM 1301 C GLY A 83 3.895 -0.852 -11.546 1.00 0.00 C ATOM 1302 O GLY A 83 2.926 -1.117 -12.258 1.00 0.00 O ATOM 0 H GLY A 83 5.899 -1.564 -9.428 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.922 -1.549 -11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.720 -2.823 -11.786 1.00 0.00 H new ATOM 1306 N ILE A 84 4.075 0.327 -10.965 1.00 0.00 N ATOM 1307 CA ILE A 84 3.128 1.434 -11.120 1.00 0.00 C ATOM 1308 C ILE A 84 1.671 0.977 -11.032 1.00 0.00 C ATOM 1309 O ILE A 84 0.755 1.788 -11.176 1.00 0.00 O ATOM 1310 CB ILE A 84 3.377 2.140 -12.457 1.00 0.00 C ATOM 1311 CG1 ILE A 84 2.874 1.274 -13.620 1.00 0.00 C ATOM 1312 CG2 ILE A 84 4.877 2.369 -12.619 1.00 0.00 C ATOM 1313 CD1 ILE A 84 2.944 2.080 -14.919 1.00 0.00 C ATOM 0 H ILE A 84 4.877 0.547 -10.374 1.00 0.00 H new ATOM 0 HA ILE A 84 3.295 2.125 -10.294 1.00 0.00 H new ATOM 0 HB ILE A 84 2.842 3.090 -12.466 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.480 0.372 -13.705 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.849 0.953 -13.433 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.068 2.871 -13.567 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.241 2.990 -11.800 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.395 1.410 -12.605 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.587 1.467 -15.747 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.319 2.969 -14.830 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.975 2.379 -15.107 1.00 0.00 H new ATOM 1325 N ASP A 85 1.456 -0.305 -10.770 1.00 0.00 N ATOM 1326 CA ASP A 85 0.097 -0.822 -10.640 1.00 0.00 C ATOM 1327 C ASP A 85 -0.267 -0.926 -9.163 1.00 0.00 C ATOM 1328 O ASP A 85 -1.315 -1.459 -8.801 1.00 0.00 O ATOM 1329 CB ASP A 85 -0.014 -2.198 -11.299 1.00 0.00 C ATOM 1330 CG ASP A 85 0.824 -3.215 -10.532 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.259 -2.889 -9.441 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.017 -4.304 -11.047 1.00 0.00 O ATOM 0 H ASP A 85 2.193 -0.999 -10.644 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.592 -0.140 -11.139 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.056 -2.516 -11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.324 -2.143 -12.334 1.00 0.00 H new ATOM 1337 N LEU A 86 0.627 -0.417 -8.319 1.00 0.00 N ATOM 1338 CA LEU A 86 0.436 -0.450 -6.875 1.00 0.00 C ATOM 1339 C LEU A 86 -0.938 0.080 -6.482 1.00 0.00 C ATOM 1340 O LEU A 86 -1.657 -0.550 -5.709 1.00 0.00 O ATOM 1341 CB LEU A 86 1.510 0.402 -6.197 1.00 0.00 C ATOM 1342 CG LEU A 86 2.897 -0.029 -6.691 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.282 0.739 -7.964 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.931 0.255 -5.600 1.00 0.00 C ATOM 0 H LEU A 86 1.497 0.026 -8.615 1.00 0.00 H new ATOM 0 HA LEU A 86 0.512 -1.488 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.345 1.456 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.447 0.290 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 86 2.872 -1.095 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.269 0.419 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.551 0.536 -8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.300 1.808 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.919 -0.050 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.939 1.321 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.674 -0.304 -4.700 1.00 0.00 H new ATOM 1356 N THR A 87 -1.294 1.247 -7.005 1.00 0.00 N ATOM 1357 CA THR A 87 -2.579 1.850 -6.679 1.00 0.00 C ATOM 1358 C THR A 87 -3.726 1.001 -7.205 1.00 0.00 C ATOM 1359 O THR A 87 -4.758 0.863 -6.548 1.00 0.00 O ATOM 1360 CB THR A 87 -2.666 3.256 -7.274 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.766 3.162 -8.688 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.415 4.052 -6.901 1.00 0.00 C ATOM 0 H THR A 87 -0.718 1.789 -7.649 1.00 0.00 H new ATOM 0 HA THR A 87 -2.660 1.910 -5.594 1.00 0.00 H new ATOM 0 HB THR A 87 -3.545 3.764 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.824 4.062 -9.072 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.480 5.053 -7.327 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.339 4.123 -5.816 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.532 3.548 -7.294 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.541 0.424 -8.384 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.573 -0.414 -8.962 1.00 0.00 C ATOM 1372 C ASP A 88 -4.663 -1.717 -8.182 1.00 0.00 C ATOM 1373 O ASP A 88 -5.742 -2.134 -7.757 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.236 -0.703 -10.424 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.291 0.587 -11.235 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.871 1.544 -10.750 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.749 0.600 -12.329 1.00 0.00 O ATOM 0 H ASP A 88 -2.698 0.520 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.533 0.100 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.243 -1.146 -10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.939 -1.429 -10.832 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.512 -2.342 -7.977 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.455 -3.586 -7.228 1.00 0.00 C ATOM 1384 C GLN A 89 -3.795 -3.325 -5.762 1.00 0.00 C ATOM 1385 O GLN A 89 -4.546 -4.082 -5.148 1.00 0.00 O ATOM 1386 CB GLN A 89 -2.056 -4.191 -7.352 1.00 0.00 C ATOM 1387 CG GLN A 89 -2.168 -5.708 -7.522 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.786 -6.308 -7.759 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.116 -5.612 -8.394 1.00 0.00 O flip ATOM 1390 NE2 GLN A 89 -0.525 -7.444 -7.363 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.610 -2.009 -8.318 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.183 -4.289 -7.633 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.535 -3.756 -8.205 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.467 -3.956 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.618 -6.150 -6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.824 -5.941 -8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.232 -7.986 -6.867 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.398 -7.843 -7.531 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.249 -2.242 -5.204 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.519 -1.896 -3.811 1.00 0.00 C ATOM 1401 C LEU A 90 -5.017 -1.749 -3.569 1.00 0.00 C ATOM 1402 O LEU A 90 -5.561 -2.325 -2.627 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.813 -0.585 -3.449 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.157 -0.191 -2.011 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.516 -1.184 -1.042 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.618 1.214 -1.735 1.00 0.00 C ATOM 0 H LEU A 90 -2.625 -1.598 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.140 -2.701 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.734 -0.701 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.119 0.205 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.238 -0.203 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.761 -0.903 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.895 -2.186 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.434 -1.172 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.859 1.502 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.536 1.221 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.074 1.921 -2.428 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.680 -0.979 -4.427 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.116 -0.773 -4.291 1.00 0.00 C ATOM 1420 C ALA A 91 -7.839 -2.110 -4.344 1.00 0.00 C ATOM 1421 O ALA A 91 -8.858 -2.304 -3.683 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.627 0.142 -5.402 1.00 0.00 C ATOM 0 H ALA A 91 -5.251 -0.493 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.313 -0.299 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.701 0.287 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.122 1.106 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.423 -0.313 -6.371 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.295 -3.033 -5.131 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.875 -4.358 -5.257 1.00 0.00 C ATOM 1430 C ASN A 92 -7.494 -5.216 -4.056 1.00 0.00 C ATOM 1431 O ASN A 92 -8.295 -6.008 -3.559 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.364 -5.016 -6.536 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.925 -4.301 -7.761 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -9.069 -3.843 -7.746 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -7.183 -4.176 -8.827 1.00 0.00 N ATOM 0 H ASN A 92 -6.454 -2.884 -5.689 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.961 -4.268 -5.298 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.275 -4.987 -6.557 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.656 -6.066 -6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.550 -3.698 -9.650 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.236 -4.556 -8.837 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.255 -5.054 -3.604 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.748 -5.816 -2.470 1.00 0.00 C ATOM 1444 C GLN A 93 -6.272 -5.273 -1.144 1.00 0.00 C ATOM 1445 O GLN A 93 -6.485 -6.029 -0.197 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.220 -5.764 -2.458 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.665 -6.557 -3.638 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.144 -7.995 -3.559 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.877 -8.686 -2.577 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.849 -8.489 -4.536 1.00 0.00 N ATOM 0 H GLN A 93 -5.583 -4.401 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.095 -6.843 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.882 -4.729 -2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.841 -6.174 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.990 -6.107 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.575 -6.526 -3.629 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.068 -7.913 -5.349 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.182 -9.452 -4.489 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.456 -3.961 -1.073 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.929 -3.343 0.157 1.00 0.00 C ATOM 1461 C LEU A 94 -8.198 -4.032 0.663 1.00 0.00 C ATOM 1462 O LEU A 94 -8.215 -4.548 1.780 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.166 -1.849 -0.066 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.025 -1.287 1.068 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.357 -1.589 2.411 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.159 0.227 0.901 1.00 0.00 C ATOM 0 H LEU A 94 -6.287 -3.312 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.163 -3.462 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.213 -1.322 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.661 -1.689 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.012 -1.748 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.969 -1.189 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.255 -2.667 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.371 -1.126 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.771 0.629 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.171 0.685 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.631 0.447 -0.056 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.246 -4.077 -0.123 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.507 -4.751 0.285 1.00 0.00 C ATOM 1480 C PRO A 95 -10.230 -6.158 0.801 1.00 0.00 C ATOM 1481 O PRO A 95 -10.790 -6.590 1.810 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.339 -4.838 -1.003 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.510 -4.245 -2.104 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.353 -3.488 -1.458 1.00 0.00 C ATOM 0 HA PRO A 95 -11.011 -4.208 1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.594 -5.874 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.278 -4.295 -0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.134 -5.027 -2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.112 -3.574 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.430 -3.612 -2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.555 -2.418 -1.407 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.359 -6.864 0.087 1.00 0.00 N ATOM 1493 CA GLN A 96 -8.998 -8.227 0.452 1.00 0.00 C ATOM 1494 C GLN A 96 -8.375 -8.256 1.840 1.00 0.00 C ATOM 1495 O GLN A 96 -8.612 -9.180 2.619 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.014 -8.786 -0.575 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.695 -8.831 -1.943 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.713 -9.298 -3.010 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.499 -9.208 -2.821 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.169 -9.795 -4.129 1.00 0.00 N ATOM 0 H GLN A 96 -8.890 -6.513 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.898 -8.842 0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.121 -8.162 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.691 -9.785 -0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.551 -9.505 -1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.077 -7.843 -2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.175 -9.868 -4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.519 -10.110 -4.849 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.592 -7.231 2.149 1.00 0.00 N ATOM 1510 CA TRP A 97 -6.959 -7.151 3.457 1.00 0.00 C ATOM 1511 C TRP A 97 -8.031 -6.994 4.532 1.00 0.00 C ATOM 1512 O TRP A 97 -7.962 -7.616 5.592 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.004 -5.953 3.520 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.023 -6.014 2.391 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -4.868 -7.055 1.540 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.060 -5.000 1.977 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.869 -6.746 0.631 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.341 -5.489 0.859 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.744 -3.717 2.459 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.344 -4.730 0.243 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.741 -2.951 1.843 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.044 -3.457 0.736 1.00 0.00 C ATOM 0 H TRP A 97 -7.382 -6.454 1.522 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.391 -8.066 3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.571 -5.024 3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.474 -5.951 4.472 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.431 -7.976 1.565 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.561 -7.370 -0.115 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.277 -3.318 3.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.809 -5.124 -0.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.505 -1.968 2.223 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.275 -2.863 0.264 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.025 -6.156 4.241 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.116 -5.918 5.174 1.00 0.00 C ATOM 1535 C LEU A 98 -11.081 -7.096 5.189 1.00 0.00 C ATOM 1536 O LEU A 98 -11.491 -7.562 6.251 1.00 0.00 O ATOM 1537 CB LEU A 98 -10.859 -4.646 4.772 1.00 0.00 C ATOM 1538 CG LEU A 98 -9.943 -3.438 4.978 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -10.494 -2.242 4.200 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.889 -3.091 6.467 1.00 0.00 C ATOM 0 H LEU A 98 -9.094 -5.633 3.368 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.701 -5.802 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.170 -4.707 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.764 -4.536 5.369 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.941 -3.676 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.842 -1.381 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.538 -2.487 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.495 -2.004 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.237 -2.230 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.892 -2.852 6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.500 -3.943 7.025 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.429 -7.583 4.003 1.00 0.00 N ATOM 1553 CA VAL A 99 -12.335 -8.717 3.899 1.00 0.00 C ATOM 1554 C VAL A 99 -11.685 -9.939 4.526 1.00 0.00 C ATOM 1555 O VAL A 99 -12.338 -10.733 5.202 1.00 0.00 O ATOM 1556 CB VAL A 99 -12.664 -9.004 2.431 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -13.527 -10.264 2.334 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -13.431 -7.818 1.841 1.00 0.00 C ATOM 0 H VAL A 99 -11.101 -7.214 3.110 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.261 -8.482 4.425 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.738 -9.155 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.760 -10.466 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.984 -11.110 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.453 -10.115 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.666 -8.020 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -14.356 -7.669 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.818 -6.919 1.908 1.00 0.00 H new ATOM 1568 N GLN A 100 -10.383 -10.069 4.296 1.00 0.00 N ATOM 1569 CA GLN A 100 -9.623 -11.182 4.838 1.00 0.00 C ATOM 1570 C GLN A 100 -10.204 -12.501 4.357 1.00 0.00 C ATOM 1571 O GLN A 100 -10.127 -13.515 5.052 1.00 0.00 O ATOM 1572 CB GLN A 100 -9.644 -11.130 6.365 1.00 0.00 C ATOM 1573 CG GLN A 100 -9.027 -9.811 6.833 1.00 0.00 C ATOM 1574 CD GLN A 100 -9.123 -9.699 8.352 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -10.019 -10.282 8.962 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -8.248 -8.982 9.001 1.00 0.00 N ATOM 0 H GLN A 100 -9.834 -9.415 3.737 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.593 -11.106 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.668 -11.216 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.087 -11.972 6.777 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.984 -9.757 6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.543 -8.973 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.506 -8.500 8.493 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.305 -8.903 10.016 1.00 0.00 H new ATOM 1585 N GLN A 101 -10.775 -12.479 3.158 1.00 0.00 N ATOM 1586 CA GLN A 101 -11.366 -13.677 2.580 1.00 0.00 C ATOM 1587 C GLN A 101 -12.063 -14.508 3.653 1.00 0.00 C ATOM 1588 O GLN A 101 -12.216 -14.070 4.793 1.00 0.00 O ATOM 1589 CB GLN A 101 -10.270 -14.508 1.913 1.00 0.00 C ATOM 1590 CG GLN A 101 -9.765 -13.780 0.666 1.00 0.00 C ATOM 1591 CD GLN A 101 -8.485 -14.437 0.167 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -7.727 -14.998 0.958 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -8.197 -14.405 -1.105 1.00 0.00 N ATOM 0 H GLN A 101 -10.840 -11.648 2.570 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.109 -13.381 1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -9.448 -14.671 2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.658 -15.490 1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -10.526 -13.806 -0.114 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.580 -12.731 0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.826 -13.940 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.342 -14.845 -1.446 1.00 0.00 H new ATOM 1602 N GLU A 102 -12.485 -15.710 3.282 1.00 0.00 N ATOM 1603 CA GLU A 102 -13.158 -16.589 4.229 1.00 0.00 C ATOM 1604 C GLU A 102 -12.135 -17.498 4.902 1.00 0.00 C ATOM 1605 O GLU A 102 -11.217 -17.995 4.250 1.00 0.00 O ATOM 1606 CB GLU A 102 -14.206 -17.439 3.507 1.00 0.00 C ATOM 1607 CG GLU A 102 -15.210 -16.526 2.799 1.00 0.00 C ATOM 1608 CD GLU A 102 -15.781 -15.508 3.782 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -16.266 -15.924 4.821 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -15.726 -14.327 3.480 1.00 0.00 O ATOM 0 H GLU A 102 -12.375 -16.095 2.344 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.655 -15.981 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.721 -18.094 2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.723 -18.080 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.723 -16.010 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.017 -17.122 2.372 1.00 0.00 H new ATOM 1617 N GLY A 103 -12.293 -17.709 6.206 1.00 0.00 N ATOM 1618 CA GLY A 103 -11.366 -18.557 6.946 1.00 0.00 C ATOM 1619 C GLY A 103 -9.989 -18.547 6.292 1.00 0.00 C ATOM 1620 O GLY A 103 -9.415 -17.487 6.042 1.00 0.00 O ATOM 0 H GLY A 103 -13.046 -17.309 6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.288 -18.207 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.749 -19.577 6.984 1.00 0.00 H new ATOM 1624 N ILE A 104 -9.467 -19.736 6.012 1.00 0.00 N ATOM 1625 CA ILE A 104 -8.158 -19.856 5.380 1.00 0.00 C ATOM 1626 C ILE A 104 -8.289 -20.519 4.013 1.00 0.00 C ATOM 1627 O ILE A 104 -8.976 -21.529 3.865 1.00 0.00 O ATOM 1628 CB ILE A 104 -7.219 -20.681 6.266 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -5.870 -20.877 5.560 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -7.852 -22.045 6.545 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -4.806 -20.015 6.242 1.00 0.00 C ATOM 0 H ILE A 104 -9.926 -20.625 6.211 1.00 0.00 H new ATOM 0 HA ILE A 104 -7.742 -18.857 5.251 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.056 -20.153 7.206 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -5.579 -21.927 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -5.955 -20.604 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.185 -22.633 7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -8.805 -21.906 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.017 -22.569 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.848 -20.154 5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.096 -18.966 6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -4.714 -20.310 7.287 1.00 0.00 H new ATOM 1643 N PHE A 105 -7.621 -19.944 3.020 1.00 0.00 N ATOM 1644 CA PHE A 105 -7.664 -20.488 1.669 1.00 0.00 C ATOM 1645 C PHE A 105 -6.418 -21.323 1.391 1.00 0.00 C ATOM 1646 O PHE A 105 -5.584 -21.419 2.277 1.00 0.00 O ATOM 1647 CB PHE A 105 -7.760 -19.355 0.647 1.00 0.00 C ATOM 1648 CG PHE A 105 -7.857 -19.942 -0.740 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -9.084 -20.418 -1.216 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -6.715 -20.022 -1.546 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -9.171 -20.969 -2.499 1.00 0.00 C ATOM 1652 CE2 PHE A 105 -6.802 -20.573 -2.831 1.00 0.00 C ATOM 1653 CZ PHE A 105 -8.030 -21.049 -3.306 1.00 0.00 C ATOM 1654 OXT PHE A 105 -6.318 -21.857 0.299 1.00 0.00 O ATOM 0 H PHE A 105 -7.047 -19.107 3.124 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.544 -21.125 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.633 -18.736 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -6.886 -18.708 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.964 -20.360 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.767 -19.659 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -10.119 -21.333 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.922 -20.631 -3.455 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.097 -21.478 -4.295 1.00 0.00 H new TER 1664 PHE A 105