USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 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 104 ASN :FLIP amide:sc= 0 X(o=-0.49,f=-0.48) USER MOD Set 1.2: A 105 ASN :FLIP amide:sc= -0.48 F(o=-1,f=-0.48) USER MOD Set 2.1: A 54 ASN : amide:sc= -3.87! C(o=-4!,f=-4.3!) USER MOD Set 2.2: A 57 CYS SG : rot -103:sc= -0.103 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 14 SER OG : rot 180:sc= -0.0737 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0621 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 2:sc= 1.24 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.287 K(o=-0.29,f=-4.2!) USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= -0.736 (180deg=-1.45) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.00432 K(o=0.0043,f=-0.85) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 31 SER OG : rot 69:sc= -0.377! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= -0.109 (180deg=-0.109) USER MOD Single : A 40 MET CE :methyl 179:sc= -4.74! (180deg=-4.88!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 50 LYS NZ :NH3+ -120:sc=-0.000953 (180deg=-0.391) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 171:sc= -2.85 (180deg=-3.12) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc=-0.00822 (180deg=-0.189) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -153:sc= -1.01 (180deg=-2.11!) USER MOD Single : A 86 SER OG : rot 11:sc= -2.19! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.279 K(o=-0.28,f=-0.92) USER MOD Single : A 109 SER OG : rot -15:sc= 0.805 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 51:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.557 23.117 -9.807 1.00 0.00 N ATOM 2 CA GLY A 1 12.836 24.275 -10.307 1.00 0.00 C ATOM 3 C GLY A 1 11.325 24.037 -10.272 1.00 0.00 C ATOM 4 O GLY A 1 10.841 23.205 -9.505 1.00 0.00 O ATOM 0 H1 GLY A 1 14.376 23.432 -9.250 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.927 22.549 -9.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.884 22.540 -10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.084 25.150 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.150 24.491 -11.328 1.00 0.00 H new ATOM 8 N SER A 2 10.621 24.781 -11.113 1.00 0.00 N ATOM 9 CA SER A 2 9.175 24.661 -11.188 1.00 0.00 C ATOM 10 C SER A 2 8.689 25.054 -12.584 1.00 0.00 C ATOM 11 O SER A 2 8.059 24.254 -13.274 1.00 0.00 O ATOM 12 CB SER A 2 8.494 25.527 -10.126 1.00 0.00 C ATOM 13 OG SER A 2 7.311 24.917 -9.617 1.00 0.00 O ATOM 0 H SER A 2 11.025 25.469 -11.748 1.00 0.00 H new ATOM 0 HA SER A 2 8.908 23.622 -10.996 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.189 25.709 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.245 26.498 -10.555 1.00 0.00 H new ATOM 0 HG SER A 2 6.907 25.500 -8.941 1.00 0.00 H new ATOM 19 N SER A 3 9.000 26.286 -12.959 1.00 0.00 N ATOM 20 CA SER A 3 8.604 26.795 -14.261 1.00 0.00 C ATOM 21 C SER A 3 7.083 26.717 -14.412 1.00 0.00 C ATOM 22 O SER A 3 6.403 26.113 -13.583 1.00 0.00 O ATOM 23 CB SER A 3 9.289 26.019 -15.388 1.00 0.00 C ATOM 24 OG SER A 3 10.620 26.474 -15.616 1.00 0.00 O ATOM 0 H SER A 3 9.522 26.947 -12.384 1.00 0.00 H new ATOM 0 HA SER A 3 8.918 27.837 -14.331 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.306 24.958 -15.139 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.708 26.122 -16.305 1.00 0.00 H new ATOM 0 HG SER A 3 11.024 25.953 -16.341 1.00 0.00 H new ATOM 30 N GLY A 4 6.593 27.336 -15.476 1.00 0.00 N ATOM 31 CA GLY A 4 5.166 27.345 -15.746 1.00 0.00 C ATOM 32 C GLY A 4 4.881 26.967 -17.201 1.00 0.00 C ATOM 33 O GLY A 4 4.679 27.839 -18.045 1.00 0.00 O ATOM 0 H GLY A 4 7.160 27.835 -16.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.662 26.645 -15.079 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.759 28.334 -15.537 1.00 0.00 H new ATOM 37 N SER A 5 4.873 25.666 -17.450 1.00 0.00 N ATOM 38 CA SER A 5 4.616 25.161 -18.789 1.00 0.00 C ATOM 39 C SER A 5 4.356 23.655 -18.739 1.00 0.00 C ATOM 40 O SER A 5 4.430 23.043 -17.674 1.00 0.00 O ATOM 41 CB SER A 5 5.786 25.467 -19.726 1.00 0.00 C ATOM 42 OG SER A 5 5.857 26.852 -20.057 1.00 0.00 O ATOM 0 H SER A 5 5.040 24.946 -16.747 1.00 0.00 H new ATOM 0 HA SER A 5 3.731 25.663 -19.180 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.719 25.159 -19.254 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.682 24.881 -20.639 1.00 0.00 H new ATOM 0 HG SER A 5 5.147 27.338 -19.587 1.00 0.00 H new ATOM 48 N SER A 6 4.057 23.099 -19.904 1.00 0.00 N ATOM 49 CA SER A 6 3.785 21.676 -20.007 1.00 0.00 C ATOM 50 C SER A 6 4.743 21.032 -21.011 1.00 0.00 C ATOM 51 O SER A 6 5.006 21.594 -22.073 1.00 0.00 O ATOM 52 CB SER A 6 2.334 21.420 -20.419 1.00 0.00 C ATOM 53 OG SER A 6 2.151 20.108 -20.944 1.00 0.00 O ATOM 0 H SER A 6 3.997 23.609 -20.785 1.00 0.00 H new ATOM 0 HA SER A 6 3.940 21.227 -19.026 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.682 21.559 -19.556 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.035 22.155 -21.167 1.00 0.00 H new ATOM 0 HG SER A 6 1.212 19.984 -21.194 1.00 0.00 H new ATOM 59 N GLY A 7 5.238 19.860 -20.640 1.00 0.00 N ATOM 60 CA GLY A 7 6.161 19.133 -21.495 1.00 0.00 C ATOM 61 C GLY A 7 6.715 17.899 -20.780 1.00 0.00 C ATOM 62 O GLY A 7 6.256 17.548 -19.694 1.00 0.00 O ATOM 0 H GLY A 7 5.017 19.396 -19.759 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.652 18.830 -22.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.982 19.787 -21.788 1.00 0.00 H new ATOM 66 N ASP A 8 7.693 17.274 -21.419 1.00 0.00 N ATOM 67 CA ASP A 8 8.314 16.086 -20.858 1.00 0.00 C ATOM 68 C ASP A 8 9.590 16.486 -20.115 1.00 0.00 C ATOM 69 O ASP A 8 10.614 16.765 -20.737 1.00 0.00 O ATOM 70 CB ASP A 8 8.698 15.093 -21.957 1.00 0.00 C ATOM 71 CG ASP A 8 7.521 14.510 -22.741 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.735 15.323 -23.274 1.00 0.00 O ATOM 73 OD2 ASP A 8 7.434 13.264 -22.790 1.00 0.00 O ATOM 0 H ASP A 8 8.071 17.568 -22.320 1.00 0.00 H new ATOM 0 HA ASP A 8 7.597 15.617 -20.184 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.370 15.590 -22.656 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.257 14.273 -21.506 1.00 0.00 H new ATOM 78 N ASP A 9 9.488 16.501 -18.794 1.00 0.00 N ATOM 79 CA ASP A 9 10.621 16.862 -17.959 1.00 0.00 C ATOM 80 C ASP A 9 10.156 17.006 -16.509 1.00 0.00 C ATOM 81 O ASP A 9 9.097 17.574 -16.246 1.00 0.00 O ATOM 82 CB ASP A 9 11.224 18.199 -18.397 1.00 0.00 C ATOM 83 CG ASP A 9 12.749 18.212 -18.515 1.00 0.00 C ATOM 84 OD1 ASP A 9 13.246 17.639 -19.509 1.00 0.00 O ATOM 85 OD2 ASP A 9 13.383 18.796 -17.610 1.00 0.00 O ATOM 0 H ASP A 9 8.637 16.269 -18.281 1.00 0.00 H new ATOM 0 HA ASP A 9 11.373 16.078 -18.054 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.798 18.474 -19.362 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.923 18.967 -17.685 1.00 0.00 H new ATOM 90 N ASN A 10 10.970 16.482 -15.605 1.00 0.00 N ATOM 91 CA ASN A 10 10.656 16.544 -14.188 1.00 0.00 C ATOM 92 C ASN A 10 10.445 18.004 -13.781 1.00 0.00 C ATOM 93 O ASN A 10 9.539 18.312 -13.008 1.00 0.00 O ATOM 94 CB ASN A 10 11.799 15.978 -13.344 1.00 0.00 C ATOM 95 CG ASN A 10 12.051 14.506 -13.677 1.00 0.00 C ATOM 96 OD1 ASN A 10 11.955 14.076 -14.815 1.00 0.00 O ATOM 97 ND2 ASN A 10 12.376 13.761 -12.625 1.00 0.00 N ATOM 0 H ASN A 10 11.848 16.012 -15.827 1.00 0.00 H new ATOM 0 HA ASN A 10 9.756 15.954 -14.016 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.707 16.555 -13.521 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.559 16.079 -12.286 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.563 12.765 -12.743 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.439 14.185 -11.700 1.00 0.00 H new ATOM 104 N GLU A 11 11.297 18.864 -14.319 1.00 0.00 N ATOM 105 CA GLU A 11 11.215 20.284 -14.021 1.00 0.00 C ATOM 106 C GLU A 11 9.826 20.821 -14.372 1.00 0.00 C ATOM 107 O GLU A 11 9.281 21.657 -13.654 1.00 0.00 O ATOM 108 CB GLU A 11 12.307 21.062 -14.759 1.00 0.00 C ATOM 109 CG GLU A 11 13.461 21.413 -13.818 1.00 0.00 C ATOM 110 CD GLU A 11 14.289 22.573 -14.374 1.00 0.00 C ATOM 111 OE1 GLU A 11 13.684 23.644 -14.600 1.00 0.00 O ATOM 112 OE2 GLU A 11 15.507 22.364 -14.560 1.00 0.00 O ATOM 0 H GLU A 11 12.047 18.605 -14.959 1.00 0.00 H new ATOM 0 HA GLU A 11 11.376 20.421 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.681 20.468 -15.593 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.886 21.975 -15.181 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.067 21.680 -12.837 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.099 20.540 -13.678 1.00 0.00 H new ATOM 119 N ARG A 12 9.294 20.318 -15.477 1.00 0.00 N ATOM 120 CA ARG A 12 7.980 20.737 -15.932 1.00 0.00 C ATOM 121 C ARG A 12 6.889 20.060 -15.099 1.00 0.00 C ATOM 122 O ARG A 12 6.000 20.729 -14.573 1.00 0.00 O ATOM 123 CB ARG A 12 7.772 20.391 -17.408 1.00 0.00 C ATOM 124 CG ARG A 12 6.996 21.497 -18.126 1.00 0.00 C ATOM 125 CD ARG A 12 7.459 21.640 -19.577 1.00 0.00 C ATOM 126 NE ARG A 12 8.748 22.365 -19.627 1.00 0.00 N ATOM 127 CZ ARG A 12 9.245 22.938 -20.732 1.00 0.00 C ATOM 128 NH1 ARG A 12 8.564 22.874 -21.884 1.00 0.00 N ATOM 129 NH2 ARG A 12 10.423 23.575 -20.685 1.00 0.00 N ATOM 0 H ARG A 12 9.750 19.624 -16.070 1.00 0.00 H new ATOM 0 HA ARG A 12 7.917 21.818 -15.811 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.738 20.247 -17.891 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.231 19.449 -17.492 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.930 21.272 -18.101 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.135 22.442 -17.602 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.568 20.655 -20.031 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.708 22.177 -20.156 1.00 0.00 H new ATOM 0 HE ARG A 12 9.292 22.433 -18.767 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.667 22.389 -21.920 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.942 23.310 -22.725 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.942 23.624 -19.808 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.801 24.011 -21.526 1.00 0.00 H new ATOM 143 N LEU A 13 6.993 18.743 -15.003 1.00 0.00 N ATOM 144 CA LEU A 13 6.027 17.969 -14.243 1.00 0.00 C ATOM 145 C LEU A 13 5.693 18.710 -12.947 1.00 0.00 C ATOM 146 O LEU A 13 4.608 19.273 -12.812 1.00 0.00 O ATOM 147 CB LEU A 13 6.537 16.543 -14.022 1.00 0.00 C ATOM 148 CG LEU A 13 6.782 15.715 -15.285 1.00 0.00 C ATOM 149 CD1 LEU A 13 7.780 14.588 -15.016 1.00 0.00 C ATOM 150 CD2 LEU A 13 5.465 15.190 -15.860 1.00 0.00 C ATOM 0 H LEU A 13 7.732 18.192 -15.439 1.00 0.00 H new ATOM 0 HA LEU A 13 5.097 17.867 -14.802 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.469 16.595 -13.459 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.817 16.013 -13.398 1.00 0.00 H new ATOM 0 HG LEU A 13 7.226 16.365 -16.039 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.936 14.015 -15.930 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.728 15.013 -14.687 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.387 13.932 -14.239 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.667 14.605 -16.757 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.970 14.561 -15.120 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.818 16.030 -16.113 1.00 0.00 H new ATOM 162 N SER A 14 6.646 18.686 -12.026 1.00 0.00 N ATOM 163 CA SER A 14 6.466 19.349 -10.746 1.00 0.00 C ATOM 164 C SER A 14 5.326 18.687 -9.969 1.00 0.00 C ATOM 165 O SER A 14 5.536 17.690 -9.281 1.00 0.00 O ATOM 166 CB SER A 14 6.185 20.841 -10.933 1.00 0.00 C ATOM 167 OG SER A 14 5.831 21.475 -9.707 1.00 0.00 O ATOM 0 H SER A 14 7.545 18.218 -12.141 1.00 0.00 H new ATOM 0 HA SER A 14 7.390 19.250 -10.177 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.067 21.326 -11.351 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.378 20.970 -11.654 1.00 0.00 H new ATOM 0 HG SER A 14 5.661 22.427 -9.868 1.00 0.00 H new ATOM 173 N LYS A 15 4.143 19.269 -10.106 1.00 0.00 N ATOM 174 CA LYS A 15 2.970 18.748 -9.426 1.00 0.00 C ATOM 175 C LYS A 15 2.810 17.263 -9.758 1.00 0.00 C ATOM 176 O LYS A 15 2.677 16.433 -8.860 1.00 0.00 O ATOM 177 CB LYS A 15 1.737 19.590 -9.764 1.00 0.00 C ATOM 178 CG LYS A 15 0.829 19.746 -8.543 1.00 0.00 C ATOM 179 CD LYS A 15 0.576 18.394 -7.871 1.00 0.00 C ATOM 180 CE LYS A 15 1.416 18.248 -6.601 1.00 0.00 C ATOM 181 NZ LYS A 15 0.576 18.445 -5.398 1.00 0.00 N ATOM 0 H LYS A 15 3.972 20.096 -10.678 1.00 0.00 H new ATOM 0 HA LYS A 15 3.092 18.822 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.049 20.573 -10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.183 19.120 -10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.288 20.431 -7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.120 20.189 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.482 18.298 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.816 17.588 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.875 17.260 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.227 18.976 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.014 17.965 -4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.493 19.462 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.370 18.047 -5.566 1.00 0.00 H new ATOM 195 N VAL A 16 2.829 16.973 -11.051 1.00 0.00 N ATOM 196 CA VAL A 16 2.688 15.603 -11.513 1.00 0.00 C ATOM 197 C VAL A 16 3.812 14.751 -10.919 1.00 0.00 C ATOM 198 O VAL A 16 3.557 13.692 -10.348 1.00 0.00 O ATOM 199 CB VAL A 16 2.655 15.567 -13.042 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.321 14.163 -13.551 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.670 16.599 -13.594 1.00 0.00 C ATOM 0 H VAL A 16 2.940 17.664 -11.793 1.00 0.00 H new ATOM 0 HA VAL A 16 1.744 15.180 -11.171 1.00 0.00 H new ATOM 0 HB VAL A 16 3.650 15.827 -13.404 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.304 14.166 -14.641 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.077 13.460 -13.202 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.344 13.862 -13.174 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.666 16.552 -14.683 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.670 16.385 -13.218 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.971 17.597 -13.275 1.00 0.00 H new ATOM 211 N GLU A 17 5.031 15.245 -11.075 1.00 0.00 N ATOM 212 CA GLU A 17 6.195 14.543 -10.561 1.00 0.00 C ATOM 213 C GLU A 17 5.947 14.088 -9.121 1.00 0.00 C ATOM 214 O GLU A 17 6.488 13.072 -8.686 1.00 0.00 O ATOM 215 CB GLU A 17 7.447 15.417 -10.652 1.00 0.00 C ATOM 216 CG GLU A 17 8.499 14.774 -11.559 1.00 0.00 C ATOM 217 CD GLU A 17 9.666 14.221 -10.738 1.00 0.00 C ATOM 218 OE1 GLU A 17 10.424 15.054 -10.196 1.00 0.00 O ATOM 219 OE2 GLU A 17 9.773 12.977 -10.671 1.00 0.00 O ATOM 0 H GLU A 17 5.238 16.123 -11.550 1.00 0.00 H new ATOM 0 HA GLU A 17 6.364 13.660 -11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.181 16.401 -11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.863 15.567 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.043 13.970 -12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.868 15.511 -12.273 1.00 0.00 H new ATOM 226 N LYS A 18 5.129 14.861 -8.422 1.00 0.00 N ATOM 227 CA LYS A 18 4.804 14.550 -7.041 1.00 0.00 C ATOM 228 C LYS A 18 3.911 13.309 -6.999 1.00 0.00 C ATOM 229 O LYS A 18 4.220 12.340 -6.306 1.00 0.00 O ATOM 230 CB LYS A 18 4.194 15.770 -6.347 1.00 0.00 C ATOM 231 CG LYS A 18 5.160 16.353 -5.314 1.00 0.00 C ATOM 232 CD LYS A 18 5.034 15.626 -3.973 1.00 0.00 C ATOM 233 CE LYS A 18 3.838 16.150 -3.176 1.00 0.00 C ATOM 234 NZ LYS A 18 4.288 17.080 -2.117 1.00 0.00 N ATOM 0 H LYS A 18 4.682 15.702 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 18 5.708 14.312 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.948 16.529 -7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.261 15.487 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.183 16.272 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.954 17.415 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.920 14.556 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.948 15.761 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.143 16.659 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.297 15.315 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.464 17.426 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.933 16.583 -1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.784 17.885 -2.550 1.00 0.00 H new ATOM 248 N ALA A 19 2.821 13.377 -7.749 1.00 0.00 N ATOM 249 CA ALA A 19 1.881 12.271 -7.807 1.00 0.00 C ATOM 250 C ALA A 19 2.623 10.997 -8.218 1.00 0.00 C ATOM 251 O ALA A 19 2.573 9.990 -7.513 1.00 0.00 O ATOM 252 CB ALA A 19 0.742 12.617 -8.767 1.00 0.00 C ATOM 0 H ALA A 19 2.568 14.182 -8.322 1.00 0.00 H new ATOM 0 HA ALA A 19 1.438 12.093 -6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.037 11.787 -8.810 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.228 13.511 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.148 12.800 -9.762 1.00 0.00 H new ATOM 258 N ARG A 20 3.295 11.084 -9.356 1.00 0.00 N ATOM 259 CA ARG A 20 4.047 9.951 -9.869 1.00 0.00 C ATOM 260 C ARG A 20 4.814 9.266 -8.737 1.00 0.00 C ATOM 261 O ARG A 20 4.636 8.074 -8.494 1.00 0.00 O ATOM 262 CB ARG A 20 5.034 10.391 -10.952 1.00 0.00 C ATOM 263 CG ARG A 20 5.027 9.414 -12.130 1.00 0.00 C ATOM 264 CD ARG A 20 6.364 8.680 -12.242 1.00 0.00 C ATOM 265 NE ARG A 20 6.148 7.311 -12.763 1.00 0.00 N ATOM 266 CZ ARG A 20 5.853 7.032 -14.040 1.00 0.00 C ATOM 267 NH1 ARG A 20 5.736 8.024 -14.933 1.00 0.00 N ATOM 268 NH2 ARG A 20 5.674 5.761 -14.424 1.00 0.00 N ATOM 0 H ARG A 20 3.335 11.921 -9.937 1.00 0.00 H new ATOM 0 HA ARG A 20 3.335 9.250 -10.305 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.774 11.390 -11.302 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.038 10.452 -10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.221 8.691 -12.003 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.827 9.955 -13.055 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.035 9.228 -12.904 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.846 8.635 -11.266 1.00 0.00 H new ATOM 0 HE ARG A 20 6.229 6.532 -12.109 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.872 8.992 -14.641 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.511 7.811 -15.905 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.762 5.006 -13.744 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.449 5.549 -15.396 1.00 0.00 H new ATOM 282 N GLN A 21 5.652 10.050 -8.074 1.00 0.00 N ATOM 283 CA GLN A 21 6.447 9.534 -6.973 1.00 0.00 C ATOM 284 C GLN A 21 5.538 8.943 -5.893 1.00 0.00 C ATOM 285 O GLN A 21 5.738 7.809 -5.461 1.00 0.00 O ATOM 286 CB GLN A 21 7.352 10.623 -6.393 1.00 0.00 C ATOM 287 CG GLN A 21 8.473 10.983 -7.370 1.00 0.00 C ATOM 288 CD GLN A 21 9.577 11.777 -6.669 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.933 11.524 -5.530 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.097 12.751 -7.412 1.00 0.00 N ATOM 0 H GLN A 21 5.797 11.039 -8.278 1.00 0.00 H new ATOM 0 HA GLN A 21 7.089 8.740 -7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.761 11.511 -6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.781 10.281 -5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.892 10.073 -7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.067 11.568 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.753 12.909 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.840 13.339 -7.034 1.00 0.00 H new ATOM 299 N LEU A 22 4.559 9.739 -5.488 1.00 0.00 N ATOM 300 CA LEU A 22 3.619 9.309 -4.467 1.00 0.00 C ATOM 301 C LEU A 22 3.090 7.918 -4.821 1.00 0.00 C ATOM 302 O LEU A 22 3.054 7.029 -3.972 1.00 0.00 O ATOM 303 CB LEU A 22 2.520 10.356 -4.276 1.00 0.00 C ATOM 304 CG LEU A 22 2.939 11.650 -3.577 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.830 12.700 -3.654 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.372 11.378 -2.134 1.00 0.00 C ATOM 0 H LEU A 22 4.397 10.679 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 22 4.117 9.224 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.115 10.611 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.710 9.903 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 22 3.803 12.057 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.155 13.610 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.612 12.923 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.932 12.317 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.665 12.314 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.542 10.936 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.217 10.690 -2.131 1.00 0.00 H new ATOM 318 N ARG A 23 2.691 7.773 -6.076 1.00 0.00 N ATOM 319 CA ARG A 23 2.164 6.506 -6.553 1.00 0.00 C ATOM 320 C ARG A 23 3.148 5.374 -6.248 1.00 0.00 C ATOM 321 O ARG A 23 2.744 4.292 -5.826 1.00 0.00 O ATOM 322 CB ARG A 23 1.899 6.551 -8.059 1.00 0.00 C ATOM 323 CG ARG A 23 0.753 7.510 -8.386 1.00 0.00 C ATOM 324 CD ARG A 23 0.134 7.181 -9.745 1.00 0.00 C ATOM 325 NE ARG A 23 1.182 7.167 -10.789 1.00 0.00 N ATOM 326 CZ ARG A 23 0.947 6.934 -12.088 1.00 0.00 C ATOM 327 NH1 ARG A 23 -0.302 6.694 -12.510 1.00 0.00 N ATOM 328 NH2 ARG A 23 1.960 6.940 -12.964 1.00 0.00 N ATOM 0 H ARG A 23 2.722 8.513 -6.778 1.00 0.00 H new ATOM 0 HA ARG A 23 1.222 6.323 -6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.802 6.867 -8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.655 5.551 -8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.010 7.448 -7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.122 8.536 -8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.362 6.211 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.629 7.918 -9.994 1.00 0.00 H new ATOM 0 HE ARG A 23 2.144 7.346 -10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.074 6.689 -11.843 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.481 6.517 -13.498 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.911 7.122 -12.643 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.781 6.763 -13.952 1.00 0.00 H new ATOM 342 N GLU A 24 4.421 5.663 -6.475 1.00 0.00 N ATOM 343 CA GLU A 24 5.466 4.684 -6.231 1.00 0.00 C ATOM 344 C GLU A 24 5.554 4.364 -4.737 1.00 0.00 C ATOM 345 O GLU A 24 5.766 3.213 -4.357 1.00 0.00 O ATOM 346 CB GLU A 24 6.813 5.173 -6.767 1.00 0.00 C ATOM 347 CG GLU A 24 6.689 5.635 -8.220 1.00 0.00 C ATOM 348 CD GLU A 24 7.920 5.225 -9.032 1.00 0.00 C ATOM 349 OE1 GLU A 24 9.012 5.737 -8.704 1.00 0.00 O ATOM 350 OE2 GLU A 24 7.740 4.410 -9.963 1.00 0.00 O ATOM 0 H GLU A 24 4.752 6.562 -6.825 1.00 0.00 H new ATOM 0 HA GLU A 24 5.211 3.769 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.177 5.994 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.549 4.372 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.793 5.204 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.572 6.718 -8.252 1.00 0.00 H new ATOM 357 N GLN A 25 5.388 5.402 -3.931 1.00 0.00 N ATOM 358 CA GLN A 25 5.446 5.246 -2.488 1.00 0.00 C ATOM 359 C GLN A 25 4.254 4.423 -1.994 1.00 0.00 C ATOM 360 O GLN A 25 4.432 3.393 -1.346 1.00 0.00 O ATOM 361 CB GLN A 25 5.500 6.606 -1.790 1.00 0.00 C ATOM 362 CG GLN A 25 6.933 6.963 -1.393 1.00 0.00 C ATOM 363 CD GLN A 25 6.980 7.559 0.016 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.258 6.885 0.994 1.00 0.00 O ATOM 365 NE2 GLN A 25 6.692 8.856 0.064 1.00 0.00 N ATOM 0 H GLN A 25 5.213 6.355 -4.250 1.00 0.00 H new ATOM 0 HA GLN A 25 6.361 4.710 -2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.100 7.374 -2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.867 6.589 -0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.559 6.071 -1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.345 7.676 -2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.468 9.361 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.695 9.346 0.958 1.00 0.00 H new ATOM 374 N VAL A 26 3.066 4.909 -2.320 1.00 0.00 N ATOM 375 CA VAL A 26 1.844 4.232 -1.918 1.00 0.00 C ATOM 376 C VAL A 26 1.913 2.766 -2.352 1.00 0.00 C ATOM 377 O VAL A 26 1.700 1.865 -1.543 1.00 0.00 O ATOM 378 CB VAL A 26 0.628 4.967 -2.484 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.661 4.192 -2.203 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.542 6.391 -1.931 1.00 0.00 C ATOM 0 H VAL A 26 2.923 5.764 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 26 1.738 4.246 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 26 0.750 5.034 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.510 4.736 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.602 3.207 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.791 4.080 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.331 6.892 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.454 6.355 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.442 6.942 -2.204 1.00 0.00 H new ATOM 390 N ASN A 27 2.209 2.574 -3.629 1.00 0.00 N ATOM 391 CA ASN A 27 2.308 1.233 -4.181 1.00 0.00 C ATOM 392 C ASN A 27 3.215 0.385 -3.288 1.00 0.00 C ATOM 393 O ASN A 27 2.750 -0.542 -2.625 1.00 0.00 O ATOM 394 CB ASN A 27 2.916 1.259 -5.584 1.00 0.00 C ATOM 395 CG ASN A 27 3.179 -0.160 -6.094 1.00 0.00 C ATOM 396 OD1 ASN A 27 2.288 -0.989 -6.186 1.00 0.00 O ATOM 397 ND2 ASN A 27 4.447 -0.392 -6.418 1.00 0.00 N ATOM 0 H ASN A 27 2.384 3.324 -4.297 1.00 0.00 H new ATOM 0 HA ASN A 27 1.303 0.814 -4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.242 1.776 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.849 1.823 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.724 -1.309 -6.768 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.143 0.347 -6.317 1.00 0.00 H new ATOM 404 N ASP A 28 4.494 0.731 -3.298 1.00 0.00 N ATOM 405 CA ASP A 28 5.470 0.013 -2.497 1.00 0.00 C ATOM 406 C ASP A 28 4.950 -0.120 -1.064 1.00 0.00 C ATOM 407 O ASP A 28 4.941 -1.214 -0.502 1.00 0.00 O ATOM 408 CB ASP A 28 6.803 0.763 -2.449 1.00 0.00 C ATOM 409 CG ASP A 28 8.047 -0.126 -2.497 1.00 0.00 C ATOM 410 OD1 ASP A 28 8.418 -0.523 -3.622 1.00 0.00 O ATOM 411 OD2 ASP A 28 8.600 -0.387 -1.406 1.00 0.00 O ATOM 0 H ASP A 28 4.877 1.500 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 28 5.623 -0.966 -2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.841 1.460 -3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.835 1.358 -1.536 1.00 0.00 H new ATOM 416 N LEU A 29 4.530 1.010 -0.515 1.00 0.00 N ATOM 417 CA LEU A 29 4.009 1.034 0.842 1.00 0.00 C ATOM 418 C LEU A 29 3.130 -0.197 1.068 1.00 0.00 C ATOM 419 O LEU A 29 3.447 -1.046 1.901 1.00 0.00 O ATOM 420 CB LEU A 29 3.295 2.359 1.118 1.00 0.00 C ATOM 421 CG LEU A 29 2.136 2.300 2.115 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.627 1.886 3.503 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.375 3.627 2.149 1.00 0.00 C ATOM 0 H LEU A 29 4.540 1.915 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 29 4.824 0.981 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.029 3.075 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.916 2.749 0.173 1.00 0.00 H new ATOM 0 HG LEU A 29 1.436 1.535 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.783 1.852 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.089 0.901 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.359 2.610 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.556 3.559 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.052 4.427 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.974 3.842 1.159 1.00 0.00 H new ATOM 435 N PHE A 30 2.044 -0.256 0.313 1.00 0.00 N ATOM 436 CA PHE A 30 1.116 -1.370 0.421 1.00 0.00 C ATOM 437 C PHE A 30 1.820 -2.698 0.136 1.00 0.00 C ATOM 438 O PHE A 30 1.751 -3.626 0.940 1.00 0.00 O ATOM 439 CB PHE A 30 0.027 -1.148 -0.630 1.00 0.00 C ATOM 440 CG PHE A 30 -0.943 -0.014 -0.290 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.382 0.146 0.987 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.367 0.834 -1.266 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.282 1.198 1.302 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.266 1.886 -0.951 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.705 2.046 0.326 1.00 0.00 C ATOM 0 H PHE A 30 1.785 0.449 -0.377 1.00 0.00 H new ATOM 0 HA PHE A 30 0.705 -1.416 1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.500 -0.933 -1.588 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.539 -2.072 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.046 -0.527 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.019 0.706 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.631 1.325 2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.602 2.560 -1.726 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.390 2.846 0.565 1.00 0.00 H new ATOM 455 N SER A 31 2.481 -2.747 -1.012 1.00 0.00 N ATOM 456 CA SER A 31 3.196 -3.947 -1.413 1.00 0.00 C ATOM 457 C SER A 31 4.031 -4.473 -0.244 1.00 0.00 C ATOM 458 O SER A 31 3.966 -5.656 0.087 1.00 0.00 O ATOM 459 CB SER A 31 4.090 -3.676 -2.625 1.00 0.00 C ATOM 460 OG SER A 31 3.558 -2.653 -3.462 1.00 0.00 O ATOM 0 H SER A 31 2.536 -1.975 -1.677 1.00 0.00 H new ATOM 0 HA SER A 31 2.464 -4.703 -1.698 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.084 -3.386 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.206 -4.593 -3.202 1.00 0.00 H new ATOM 0 HG SER A 31 3.603 -1.792 -2.996 1.00 0.00 H new ATOM 466 N ARG A 32 4.798 -3.569 0.348 1.00 0.00 N ATOM 467 CA ARG A 32 5.645 -3.927 1.473 1.00 0.00 C ATOM 468 C ARG A 32 4.800 -4.502 2.612 1.00 0.00 C ATOM 469 O ARG A 32 4.878 -5.694 2.906 1.00 0.00 O ATOM 470 CB ARG A 32 6.422 -2.713 1.986 1.00 0.00 C ATOM 471 CG ARG A 32 7.931 -2.961 1.922 1.00 0.00 C ATOM 472 CD ARG A 32 8.652 -2.248 3.068 1.00 0.00 C ATOM 473 NE ARG A 32 9.787 -3.072 3.541 1.00 0.00 N ATOM 474 CZ ARG A 32 10.915 -3.267 2.844 1.00 0.00 C ATOM 475 NH1 ARG A 32 11.066 -2.699 1.640 1.00 0.00 N ATOM 476 NH2 ARG A 32 11.893 -4.030 3.352 1.00 0.00 N ATOM 0 H ARG A 32 4.850 -2.589 0.070 1.00 0.00 H new ATOM 0 HA ARG A 32 6.355 -4.679 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.168 -1.836 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.129 -2.496 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.130 -4.032 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.321 -2.609 0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.012 -1.275 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.958 -2.065 3.888 1.00 0.00 H new ATOM 0 HE ARG A 32 9.706 -3.519 4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.322 -2.118 1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.925 -2.848 1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.779 -4.462 4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.752 -4.179 2.822 1.00 0.00 H new ATOM 490 N LYS A 33 4.013 -3.628 3.222 1.00 0.00 N ATOM 491 CA LYS A 33 3.155 -4.034 4.322 1.00 0.00 C ATOM 492 C LYS A 33 2.454 -5.345 3.959 1.00 0.00 C ATOM 493 O LYS A 33 2.511 -6.313 4.716 1.00 0.00 O ATOM 494 CB LYS A 33 2.192 -2.905 4.695 1.00 0.00 C ATOM 495 CG LYS A 33 2.957 -1.662 5.154 1.00 0.00 C ATOM 496 CD LYS A 33 3.155 -1.669 6.672 1.00 0.00 C ATOM 497 CE LYS A 33 4.052 -0.511 7.113 1.00 0.00 C ATOM 498 NZ LYS A 33 4.637 -0.787 8.445 1.00 0.00 N ATOM 0 H LYS A 33 3.952 -2.640 2.975 1.00 0.00 H new ATOM 0 HA LYS A 33 3.747 -4.225 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.568 -2.656 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.524 -3.239 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.927 -1.623 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.412 -0.765 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.188 -1.594 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.599 -2.616 6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.848 -0.361 6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.474 0.412 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.243 0.009 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.874 -0.907 9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.206 -1.657 8.401 1.00 0.00 H new ATOM 512 N PHE A 34 1.809 -5.334 2.802 1.00 0.00 N ATOM 513 CA PHE A 34 1.098 -6.510 2.330 1.00 0.00 C ATOM 514 C PHE A 34 1.934 -7.774 2.533 1.00 0.00 C ATOM 515 O PHE A 34 1.418 -8.799 2.977 1.00 0.00 O ATOM 516 CB PHE A 34 0.850 -6.312 0.833 1.00 0.00 C ATOM 517 CG PHE A 34 0.242 -7.531 0.136 1.00 0.00 C ATOM 518 CD1 PHE A 34 -0.983 -7.987 0.510 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.928 -8.159 -0.857 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.547 -9.118 -0.136 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.364 -9.290 -1.503 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.862 -9.746 -1.129 1.00 0.00 C ATOM 0 H PHE A 34 1.764 -4.529 2.177 1.00 0.00 H new ATOM 0 HA PHE A 34 0.167 -6.629 2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.186 -5.459 0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.794 -6.063 0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.527 -7.489 1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.901 -7.797 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.520 -9.480 0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.908 -9.789 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.291 -10.607 -1.621 1.00 0.00 H new ATOM 532 N GLY A 35 3.211 -7.661 2.200 1.00 0.00 N ATOM 533 CA GLY A 35 4.124 -8.783 2.340 1.00 0.00 C ATOM 534 C GLY A 35 4.026 -9.398 3.738 1.00 0.00 C ATOM 535 O GLY A 35 4.284 -10.587 3.916 1.00 0.00 O ATOM 0 H GLY A 35 3.636 -6.809 1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.895 -9.539 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.146 -8.451 2.156 1.00 0.00 H new ATOM 539 N GLU A 36 3.651 -8.560 4.693 1.00 0.00 N ATOM 540 CA GLU A 36 3.515 -9.007 6.069 1.00 0.00 C ATOM 541 C GLU A 36 2.348 -9.988 6.196 1.00 0.00 C ATOM 542 O GLU A 36 2.460 -11.007 6.876 1.00 0.00 O ATOM 543 CB GLU A 36 3.337 -7.818 7.016 1.00 0.00 C ATOM 544 CG GLU A 36 4.422 -6.765 6.784 1.00 0.00 C ATOM 545 CD GLU A 36 5.691 -7.103 7.568 1.00 0.00 C ATOM 546 OE1 GLU A 36 5.577 -7.228 8.806 1.00 0.00 O ATOM 547 OE2 GLU A 36 6.747 -7.229 6.910 1.00 0.00 O ATOM 0 H GLU A 36 3.437 -7.574 4.541 1.00 0.00 H new ATOM 0 HA GLU A 36 4.431 -9.524 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.354 -7.372 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.375 -8.163 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.653 -6.704 5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.053 -5.785 7.087 1.00 0.00 H new ATOM 554 N ALA A 37 1.254 -9.647 5.530 1.00 0.00 N ATOM 555 CA ALA A 37 0.068 -10.486 5.560 1.00 0.00 C ATOM 556 C ALA A 37 0.393 -11.844 4.935 1.00 0.00 C ATOM 557 O ALA A 37 -0.376 -12.794 5.071 1.00 0.00 O ATOM 558 CB ALA A 37 -1.079 -9.773 4.841 1.00 0.00 C ATOM 0 H ALA A 37 1.164 -8.801 4.967 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.251 -10.664 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.969 -10.402 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.290 -8.828 5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.796 -9.581 3.806 1.00 0.00 H new ATOM 564 N ILE A 38 1.534 -11.893 4.263 1.00 0.00 N ATOM 565 CA ILE A 38 1.970 -13.119 3.617 1.00 0.00 C ATOM 566 C ILE A 38 3.298 -13.569 4.231 1.00 0.00 C ATOM 567 O ILE A 38 3.802 -14.644 3.909 1.00 0.00 O ATOM 568 CB ILE A 38 2.025 -12.934 2.099 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.575 -11.554 1.734 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.657 -13.193 1.466 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.434 -11.287 0.235 1.00 0.00 C ATOM 0 H ILE A 38 2.170 -11.103 4.152 1.00 0.00 H new ATOM 0 HA ILE A 38 1.250 -13.919 3.791 1.00 0.00 H new ATOM 0 HB ILE A 38 2.714 -13.673 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.043 -10.786 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.624 -11.489 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.723 -13.055 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.343 -14.214 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.072 -12.495 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.832 -10.299 0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.988 -12.042 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.381 -11.329 -0.045 1.00 0.00 H new ATOM 583 N GLY A 39 3.826 -12.724 5.104 1.00 0.00 N ATOM 584 CA GLY A 39 5.086 -13.021 5.765 1.00 0.00 C ATOM 585 C GLY A 39 6.247 -12.994 4.770 1.00 0.00 C ATOM 586 O GLY A 39 7.310 -13.553 5.036 1.00 0.00 O ATOM 0 H GLY A 39 3.405 -11.834 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.265 -12.295 6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.030 -14.002 6.238 1.00 0.00 H new ATOM 590 N MET A 40 6.005 -12.339 3.644 1.00 0.00 N ATOM 591 CA MET A 40 7.018 -12.232 2.608 1.00 0.00 C ATOM 592 C MET A 40 8.095 -11.217 2.997 1.00 0.00 C ATOM 593 O MET A 40 7.790 -10.169 3.563 1.00 0.00 O ATOM 594 CB MET A 40 6.361 -11.801 1.294 1.00 0.00 C ATOM 595 CG MET A 40 5.428 -12.891 0.765 1.00 0.00 C ATOM 596 SD MET A 40 6.367 -14.119 -0.128 1.00 0.00 S ATOM 597 CE MET A 40 5.488 -14.113 -1.681 1.00 0.00 C ATOM 0 H MET A 40 5.122 -11.877 3.426 1.00 0.00 H new ATOM 0 HA MET A 40 7.491 -13.207 2.486 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.799 -10.880 1.449 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.130 -11.584 0.553 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.896 -13.359 1.593 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.675 -12.451 0.111 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.958 -14.817 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.452 -14.406 -1.514 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.517 -13.112 -2.112 1.00 0.00 H new ATOM 607 N GLY A 41 9.333 -11.564 2.677 1.00 0.00 N ATOM 608 CA GLY A 41 10.457 -10.697 2.986 1.00 0.00 C ATOM 609 C GLY A 41 10.524 -9.519 2.012 1.00 0.00 C ATOM 610 O GLY A 41 11.177 -8.514 2.292 1.00 0.00 O ATOM 0 H GLY A 41 9.582 -12.434 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.364 -10.325 4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.385 -11.267 2.937 1.00 0.00 H new ATOM 614 N PHE A 42 9.841 -9.681 0.889 1.00 0.00 N ATOM 615 CA PHE A 42 9.814 -8.643 -0.128 1.00 0.00 C ATOM 616 C PHE A 42 8.389 -8.137 -0.358 1.00 0.00 C ATOM 617 O PHE A 42 7.423 -8.792 0.031 1.00 0.00 O ATOM 618 CB PHE A 42 10.335 -9.271 -1.422 1.00 0.00 C ATOM 619 CG PHE A 42 9.748 -10.651 -1.724 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.407 -10.797 -1.894 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.568 -11.732 -1.823 1.00 0.00 C ATOM 622 CE1 PHE A 42 7.862 -12.078 -2.174 1.00 0.00 C ATOM 623 CE2 PHE A 42 10.024 -13.013 -2.103 1.00 0.00 C ATOM 624 CZ PHE A 42 8.682 -13.159 -2.273 1.00 0.00 C ATOM 0 H PHE A 42 9.302 -10.516 0.660 1.00 0.00 H new ATOM 0 HA PHE A 42 10.424 -7.797 0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.112 -8.603 -2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.420 -9.354 -1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.756 -9.939 -1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.633 -11.616 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.797 -12.194 -2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.675 -13.871 -2.181 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.268 -14.133 -2.487 1.00 0.00 H new ATOM 634 N PRO A 43 8.300 -6.945 -1.007 1.00 0.00 N ATOM 635 CA PRO A 43 7.009 -6.344 -1.293 1.00 0.00 C ATOM 636 C PRO A 43 6.313 -7.064 -2.450 1.00 0.00 C ATOM 637 O PRO A 43 6.872 -7.180 -3.540 1.00 0.00 O ATOM 638 CB PRO A 43 7.312 -4.886 -1.599 1.00 0.00 C ATOM 639 CG PRO A 43 8.796 -4.829 -1.927 1.00 0.00 C ATOM 640 CD PRO A 43 9.422 -6.141 -1.482 1.00 0.00 C ATOM 0 HA PRO A 43 6.313 -6.426 -0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.713 -4.530 -2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.076 -4.250 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.945 -4.678 -2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.268 -3.989 -1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.940 -6.632 -2.306 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.157 -5.982 -0.693 1.00 0.00 H new ATOM 648 N VAL A 44 5.104 -7.529 -2.173 1.00 0.00 N ATOM 649 CA VAL A 44 4.326 -8.236 -3.177 1.00 0.00 C ATOM 650 C VAL A 44 3.217 -7.318 -3.695 1.00 0.00 C ATOM 651 O VAL A 44 2.873 -6.328 -3.051 1.00 0.00 O ATOM 652 CB VAL A 44 3.794 -9.549 -2.599 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.188 -10.425 -3.697 1.00 0.00 C ATOM 654 CG2 VAL A 44 4.892 -10.299 -1.842 1.00 0.00 C ATOM 0 H VAL A 44 4.644 -7.430 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 44 4.953 -8.502 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 44 3.003 -9.307 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.817 -11.352 -3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.364 -9.894 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.950 -10.654 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.488 -11.229 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.714 -10.524 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.258 -9.679 -1.023 1.00 0.00 H new ATOM 664 N LYS A 45 2.687 -7.679 -4.855 1.00 0.00 N ATOM 665 CA LYS A 45 1.624 -6.901 -5.467 1.00 0.00 C ATOM 666 C LYS A 45 0.459 -6.775 -4.483 1.00 0.00 C ATOM 667 O LYS A 45 0.454 -7.419 -3.435 1.00 0.00 O ATOM 668 CB LYS A 45 1.227 -7.503 -6.816 1.00 0.00 C ATOM 669 CG LYS A 45 0.437 -8.800 -6.626 1.00 0.00 C ATOM 670 CD LYS A 45 0.767 -9.809 -7.728 1.00 0.00 C ATOM 671 CE LYS A 45 -0.093 -11.067 -7.594 1.00 0.00 C ATOM 672 NZ LYS A 45 0.442 -12.154 -8.445 1.00 0.00 N ATOM 0 H LYS A 45 2.975 -8.500 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 45 1.969 -5.890 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.627 -6.786 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.121 -7.701 -7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.668 -9.231 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.631 -8.584 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.602 -9.354 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.822 -10.078 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.116 -11.390 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.121 -10.844 -7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.153 -13.000 -8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.441 -11.849 -9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.415 -12.377 -8.152 1.00 0.00 H new ATOM 686 N VAL A 46 -0.501 -5.940 -4.855 1.00 0.00 N ATOM 687 CA VAL A 46 -1.668 -5.721 -4.019 1.00 0.00 C ATOM 688 C VAL A 46 -2.927 -5.753 -4.888 1.00 0.00 C ATOM 689 O VAL A 46 -3.188 -4.818 -5.643 1.00 0.00 O ATOM 690 CB VAL A 46 -1.515 -4.415 -3.237 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.796 -4.081 -2.470 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.312 -4.478 -2.294 1.00 0.00 C ATOM 0 H VAL A 46 -0.494 -5.407 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.762 -6.517 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.336 -3.614 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.660 -3.148 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.623 -3.973 -3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.019 -4.884 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.226 -3.537 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.447 -5.295 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.596 -4.647 -2.873 1.00 0.00 H new ATOM 702 N PRO A 47 -3.692 -6.869 -4.751 1.00 0.00 N ATOM 703 CA PRO A 47 -4.917 -7.035 -5.515 1.00 0.00 C ATOM 704 C PRO A 47 -6.037 -6.156 -4.954 1.00 0.00 C ATOM 705 O PRO A 47 -7.047 -6.664 -4.472 1.00 0.00 O ATOM 706 CB PRO A 47 -5.232 -8.520 -5.435 1.00 0.00 C ATOM 707 CG PRO A 47 -4.438 -9.052 -4.252 1.00 0.00 C ATOM 708 CD PRO A 47 -3.413 -7.997 -3.867 1.00 0.00 C ATOM 0 HA PRO A 47 -4.811 -6.718 -6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.300 -8.686 -5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.949 -9.029 -6.356 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.100 -9.265 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.943 -9.987 -4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.512 -7.713 -2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.396 -8.365 -4.003 1.00 0.00 H new ATOM 716 N TYR A 48 -5.819 -4.852 -5.038 1.00 0.00 N ATOM 717 CA TYR A 48 -6.797 -3.897 -4.545 1.00 0.00 C ATOM 718 C TYR A 48 -8.202 -4.245 -5.041 1.00 0.00 C ATOM 719 O TYR A 48 -9.177 -4.099 -4.306 1.00 0.00 O ATOM 720 CB TYR A 48 -6.388 -2.539 -5.121 1.00 0.00 C ATOM 721 CG TYR A 48 -4.959 -2.119 -4.770 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.641 -1.773 -3.472 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.989 -2.087 -5.750 1.00 0.00 C ATOM 724 CE1 TYR A 48 -3.297 -1.377 -3.141 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.644 -1.691 -5.420 1.00 0.00 C ATOM 726 CZ TYR A 48 -2.364 -1.356 -4.132 1.00 0.00 C ATOM 727 OH TYR A 48 -1.094 -0.983 -3.819 1.00 0.00 O ATOM 0 H TYR A 48 -4.980 -4.434 -5.440 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.820 -3.900 -3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.491 -2.570 -6.206 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.079 -1.779 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.401 -1.799 -2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.238 -2.359 -6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.035 -1.103 -2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.875 -1.661 -6.178 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.536 -1.016 -4.624 1.00 0.00 H new ATOM 737 N ARG A 49 -8.260 -4.700 -6.284 1.00 0.00 N ATOM 738 CA ARG A 49 -9.529 -5.071 -6.886 1.00 0.00 C ATOM 739 C ARG A 49 -10.239 -6.119 -6.027 1.00 0.00 C ATOM 740 O ARG A 49 -11.294 -5.847 -5.456 1.00 0.00 O ATOM 741 CB ARG A 49 -9.327 -5.630 -8.296 1.00 0.00 C ATOM 742 CG ARG A 49 -10.668 -5.825 -9.006 1.00 0.00 C ATOM 743 CD ARG A 49 -10.667 -5.143 -10.376 1.00 0.00 C ATOM 744 NE ARG A 49 -11.550 -5.879 -11.308 1.00 0.00 N ATOM 745 CZ ARG A 49 -12.889 -5.864 -11.245 1.00 0.00 C ATOM 746 NH1 ARG A 49 -13.506 -5.150 -10.293 1.00 0.00 N ATOM 747 NH2 ARG A 49 -13.610 -6.562 -12.133 1.00 0.00 N ATOM 0 H ARG A 49 -7.449 -4.820 -6.890 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.142 -4.172 -6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.701 -4.950 -8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.799 -6.582 -8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.869 -6.890 -9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.471 -5.416 -8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.006 -4.112 -10.278 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.653 -5.109 -10.774 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.112 -6.432 -12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.957 -4.619 -9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.525 -5.138 -10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.140 -7.105 -12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.629 -6.550 -12.085 1.00 0.00 H new ATOM 761 N LYS A 50 -9.631 -7.294 -5.961 1.00 0.00 N ATOM 762 CA LYS A 50 -10.191 -8.384 -5.180 1.00 0.00 C ATOM 763 C LYS A 50 -10.435 -7.907 -3.747 1.00 0.00 C ATOM 764 O LYS A 50 -11.398 -8.323 -3.106 1.00 0.00 O ATOM 765 CB LYS A 50 -9.299 -9.623 -5.272 1.00 0.00 C ATOM 766 CG LYS A 50 -9.016 -9.988 -6.731 1.00 0.00 C ATOM 767 CD LYS A 50 -9.342 -11.458 -7.002 1.00 0.00 C ATOM 768 CE LYS A 50 -8.975 -11.846 -8.436 1.00 0.00 C ATOM 769 NZ LYS A 50 -7.505 -11.865 -8.607 1.00 0.00 N ATOM 0 H LYS A 50 -8.756 -7.515 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.157 -8.685 -5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.360 -9.439 -4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.782 -10.462 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.608 -9.353 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.968 -9.796 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.798 -12.090 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.404 -11.636 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.387 -12.827 -8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.419 -11.138 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.232 -11.181 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.048 -11.609 -7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.201 -12.818 -8.891 1.00 0.00 H new ATOM 783 N ILE A 51 -9.545 -7.039 -3.287 1.00 0.00 N ATOM 784 CA ILE A 51 -9.652 -6.501 -1.942 1.00 0.00 C ATOM 785 C ILE A 51 -10.787 -5.477 -1.895 1.00 0.00 C ATOM 786 O ILE A 51 -11.298 -5.160 -0.822 1.00 0.00 O ATOM 787 CB ILE A 51 -8.303 -5.945 -1.479 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.366 -7.073 -1.042 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.490 -4.897 -0.380 1.00 0.00 C ATOM 790 CD1 ILE A 51 -5.988 -6.922 -1.689 1.00 0.00 C ATOM 0 H ILE A 51 -8.747 -6.696 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.906 -7.291 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.832 -5.444 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.265 -7.067 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.797 -8.036 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.516 -4.518 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.095 -4.074 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.992 -5.351 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.341 -7.736 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.090 -6.953 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.549 -5.969 -1.393 1.00 0.00 H new ATOM 802 N THR A 52 -11.149 -4.988 -3.072 1.00 0.00 N ATOM 803 CA THR A 52 -12.216 -4.007 -3.180 1.00 0.00 C ATOM 804 C THR A 52 -13.577 -4.702 -3.238 1.00 0.00 C ATOM 805 O THR A 52 -14.408 -4.523 -2.349 1.00 0.00 O ATOM 806 CB THR A 52 -11.929 -3.129 -4.399 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.562 -1.870 -3.842 1.00 0.00 O ATOM 808 CG2 THR A 52 -13.190 -2.824 -5.210 1.00 0.00 C ATOM 0 H THR A 52 -10.722 -5.253 -3.960 1.00 0.00 H new ATOM 0 HA THR A 52 -12.253 -3.365 -2.300 1.00 0.00 H new ATOM 0 HB THR A 52 -11.197 -3.623 -5.038 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.357 -1.240 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.931 -2.198 -6.064 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.629 -3.757 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.909 -2.300 -4.581 1.00 0.00 H new ATOM 816 N ILE A 53 -13.763 -5.481 -4.293 1.00 0.00 N ATOM 817 CA ILE A 53 -15.009 -6.205 -4.479 1.00 0.00 C ATOM 818 C ILE A 53 -15.427 -6.841 -3.152 1.00 0.00 C ATOM 819 O ILE A 53 -16.614 -7.059 -2.911 1.00 0.00 O ATOM 820 CB ILE A 53 -14.881 -7.207 -5.628 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.642 -8.087 -5.453 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.890 -6.493 -6.982 1.00 0.00 C ATOM 823 CD1 ILE A 53 -13.242 -8.742 -6.777 1.00 0.00 C ATOM 0 H ILE A 53 -13.071 -5.627 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.806 -5.522 -4.771 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.749 -7.865 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.815 -7.485 -5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.841 -8.857 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.798 -7.228 -7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.825 -5.946 -7.098 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.053 -5.796 -7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.359 -9.362 -6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.062 -9.362 -7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.020 -7.969 -7.513 1.00 0.00 H new ATOM 835 N ASN A 54 -14.430 -7.122 -2.327 1.00 0.00 N ATOM 836 CA ASN A 54 -14.679 -7.729 -1.031 1.00 0.00 C ATOM 837 C ASN A 54 -13.345 -7.991 -0.329 1.00 0.00 C ATOM 838 O ASN A 54 -12.542 -8.798 -0.796 1.00 0.00 O ATOM 839 CB ASN A 54 -15.405 -9.067 -1.180 1.00 0.00 C ATOM 840 CG ASN A 54 -14.482 -10.127 -1.784 1.00 0.00 C ATOM 841 OD1 ASN A 54 -13.729 -10.797 -1.096 1.00 0.00 O ATOM 842 ND2 ASN A 54 -14.582 -10.241 -3.105 1.00 0.00 N ATOM 0 H ASN A 54 -13.447 -6.940 -2.531 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.299 -7.044 -0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.761 -9.402 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.283 -8.940 -1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.008 -10.921 -3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.233 -9.649 -3.620 1.00 0.00 H new ATOM 849 N PRO A 55 -13.143 -7.274 0.809 1.00 0.00 N ATOM 850 CA PRO A 55 -11.920 -7.421 1.579 1.00 0.00 C ATOM 851 C PRO A 55 -11.920 -8.734 2.364 1.00 0.00 C ATOM 852 O PRO A 55 -10.861 -9.286 2.659 1.00 0.00 O ATOM 853 CB PRO A 55 -11.869 -6.193 2.474 1.00 0.00 C ATOM 854 CG PRO A 55 -13.285 -5.644 2.509 1.00 0.00 C ATOM 855 CD PRO A 55 -14.071 -6.309 1.391 1.00 0.00 C ATOM 0 HA PRO A 55 -11.031 -7.477 0.950 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.526 -6.454 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.172 -5.452 2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.749 -5.846 3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.278 -4.562 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.965 -6.801 1.774 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.400 -5.580 0.651 1.00 0.00 H new ATOM 863 N GLY A 56 -13.121 -9.196 2.681 1.00 0.00 N ATOM 864 CA GLY A 56 -13.273 -10.434 3.426 1.00 0.00 C ATOM 865 C GLY A 56 -11.970 -11.236 3.431 1.00 0.00 C ATOM 866 O GLY A 56 -11.381 -11.465 4.486 1.00 0.00 O ATOM 0 H GLY A 56 -13.997 -8.735 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.571 -10.211 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.070 -11.032 2.985 1.00 0.00 H new ATOM 870 N CYS A 57 -11.557 -11.640 2.238 1.00 0.00 N ATOM 871 CA CYS A 57 -10.334 -12.411 2.091 1.00 0.00 C ATOM 872 C CYS A 57 -9.198 -11.643 2.769 1.00 0.00 C ATOM 873 O CYS A 57 -8.819 -11.954 3.897 1.00 0.00 O ATOM 874 CB CYS A 57 -10.026 -12.708 0.623 1.00 0.00 C ATOM 875 SG CYS A 57 -11.342 -13.760 -0.092 1.00 0.00 S ATOM 0 H CYS A 57 -12.048 -11.448 1.365 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.453 -13.382 2.572 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.950 -11.776 0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.062 -13.210 0.539 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.917 -14.985 -0.182 1.00 0.00 H new ATOM 881 N VAL A 58 -8.685 -10.654 2.051 1.00 0.00 N ATOM 882 CA VAL A 58 -7.599 -9.838 2.569 1.00 0.00 C ATOM 883 C VAL A 58 -8.167 -8.524 3.108 1.00 0.00 C ATOM 884 O VAL A 58 -8.948 -7.857 2.432 1.00 0.00 O ATOM 885 CB VAL A 58 -6.538 -9.632 1.486 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.610 -8.469 1.843 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.741 -10.916 1.247 1.00 0.00 C ATOM 0 H VAL A 58 -9.001 -10.399 1.115 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.104 -10.342 3.399 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.051 -9.379 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.865 -8.344 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.194 -7.554 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.109 -8.680 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.994 -10.742 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.244 -11.213 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.417 -11.709 0.927 1.00 0.00 H new ATOM 897 N VAL A 59 -7.751 -8.191 4.322 1.00 0.00 N ATOM 898 CA VAL A 59 -8.208 -6.968 4.960 1.00 0.00 C ATOM 899 C VAL A 59 -7.073 -5.943 4.960 1.00 0.00 C ATOM 900 O VAL A 59 -5.930 -6.277 4.650 1.00 0.00 O ATOM 901 CB VAL A 59 -8.736 -7.276 6.363 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.329 -6.024 7.012 1.00 0.00 C ATOM 903 CG2 VAL A 59 -9.759 -8.412 6.327 1.00 0.00 C ATOM 0 H VAL A 59 -7.103 -8.747 4.880 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.038 -6.533 4.403 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.894 -7.603 6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.697 -6.270 8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.560 -5.255 7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.153 -5.653 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.118 -8.610 7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.598 -8.126 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.291 -9.311 5.925 1.00 0.00 H new ATOM 913 N VAL A 60 -7.427 -4.715 5.310 1.00 0.00 N ATOM 914 CA VAL A 60 -6.452 -3.639 5.354 1.00 0.00 C ATOM 915 C VAL A 60 -6.794 -2.694 6.508 1.00 0.00 C ATOM 916 O VAL A 60 -7.918 -2.204 6.602 1.00 0.00 O ATOM 917 CB VAL A 60 -6.393 -2.931 4.000 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.539 -1.663 4.080 1.00 0.00 C ATOM 919 CG2 VAL A 60 -5.875 -3.872 2.911 1.00 0.00 C ATOM 0 H VAL A 60 -8.376 -4.442 5.566 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.454 -4.035 5.542 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.408 -2.635 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.514 -1.179 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.969 -0.980 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.525 -1.926 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.843 -3.343 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.873 -4.212 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.540 -4.732 2.827 1.00 0.00 H new ATOM 929 N ASP A 61 -5.803 -2.467 7.358 1.00 0.00 N ATOM 930 CA ASP A 61 -5.984 -1.590 8.502 1.00 0.00 C ATOM 931 C ASP A 61 -5.092 -0.358 8.341 1.00 0.00 C ATOM 932 O ASP A 61 -4.247 -0.311 7.449 1.00 0.00 O ATOM 933 CB ASP A 61 -5.590 -2.292 9.803 1.00 0.00 C ATOM 934 CG ASP A 61 -5.196 -1.358 10.949 1.00 0.00 C ATOM 935 OD1 ASP A 61 -6.120 -0.744 11.525 1.00 0.00 O ATOM 936 OD2 ASP A 61 -3.978 -1.279 11.222 1.00 0.00 O ATOM 0 H ASP A 61 -4.872 -2.876 7.277 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.036 -1.310 8.548 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.424 -2.912 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.756 -2.963 9.598 1.00 0.00 H new ATOM 941 N GLY A 62 -5.310 0.610 9.219 1.00 0.00 N ATOM 942 CA GLY A 62 -4.536 1.839 9.186 1.00 0.00 C ATOM 943 C GLY A 62 -5.221 2.895 8.316 1.00 0.00 C ATOM 944 O GLY A 62 -5.040 4.093 8.529 1.00 0.00 O ATOM 0 H GLY A 62 -6.012 0.568 9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.412 2.222 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.538 1.634 8.798 1.00 0.00 H new ATOM 948 N MET A 63 -5.993 2.413 7.354 1.00 0.00 N ATOM 949 CA MET A 63 -6.706 3.300 6.450 1.00 0.00 C ATOM 950 C MET A 63 -7.238 4.527 7.194 1.00 0.00 C ATOM 951 O MET A 63 -7.825 4.401 8.267 1.00 0.00 O ATOM 952 CB MET A 63 -7.873 2.546 5.809 1.00 0.00 C ATOM 953 CG MET A 63 -7.527 2.112 4.383 1.00 0.00 C ATOM 954 SD MET A 63 -8.075 3.348 3.219 1.00 0.00 S ATOM 955 CE MET A 63 -6.611 3.492 2.207 1.00 0.00 C ATOM 0 H MET A 63 -6.141 1.419 7.180 1.00 0.00 H new ATOM 0 HA MET A 63 -6.013 3.637 5.679 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.119 1.671 6.410 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.758 3.182 5.795 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.451 1.965 4.290 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.000 1.156 4.160 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.832 4.105 1.333 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.813 3.958 2.785 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.293 2.501 1.884 1.00 0.00 H new ATOM 965 N PRO A 64 -7.006 5.717 6.577 1.00 0.00 N ATOM 966 CA PRO A 64 -7.455 6.966 7.169 1.00 0.00 C ATOM 967 C PRO A 64 -8.967 7.137 7.007 1.00 0.00 C ATOM 968 O PRO A 64 -9.595 6.428 6.222 1.00 0.00 O ATOM 969 CB PRO A 64 -6.656 8.047 6.459 1.00 0.00 C ATOM 970 CG PRO A 64 -6.134 7.409 5.183 1.00 0.00 C ATOM 971 CD PRO A 64 -6.314 5.905 5.306 1.00 0.00 C ATOM 0 HA PRO A 64 -7.286 7.006 8.245 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.281 8.912 6.236 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.835 8.400 7.083 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.676 7.789 4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.083 7.657 5.035 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.897 5.507 4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.354 5.389 5.298 1.00 0.00 H new ATOM 979 N PRO A 65 -9.522 8.106 7.783 1.00 0.00 N ATOM 980 CA PRO A 65 -10.949 8.379 7.734 1.00 0.00 C ATOM 981 C PRO A 65 -11.317 9.140 6.459 1.00 0.00 C ATOM 982 O PRO A 65 -10.600 10.049 6.045 1.00 0.00 O ATOM 983 CB PRO A 65 -11.243 9.165 9.001 1.00 0.00 C ATOM 984 CG PRO A 65 -9.904 9.703 9.479 1.00 0.00 C ATOM 985 CD PRO A 65 -8.810 8.964 8.725 1.00 0.00 C ATOM 0 HA PRO A 65 -11.551 7.471 7.697 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.942 9.978 8.803 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.701 8.528 9.758 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.836 10.775 9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.794 9.555 10.553 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.149 9.658 8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.189 8.378 9.402 1.00 0.00 H new ATOM 993 N GLY A 66 -12.436 8.741 5.872 1.00 0.00 N ATOM 994 CA GLY A 66 -12.909 9.374 4.653 1.00 0.00 C ATOM 995 C GLY A 66 -11.943 9.120 3.493 1.00 0.00 C ATOM 996 O GLY A 66 -11.882 9.906 2.549 1.00 0.00 O ATOM 0 H GLY A 66 -13.029 7.987 6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.897 8.990 4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.016 10.447 4.814 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.213 8.020 3.603 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.253 7.653 2.576 1.00 0.00 C ATOM 1002 C VAL A 67 -10.401 6.165 2.254 1.00 0.00 C ATOM 1003 O VAL A 67 -10.218 5.316 3.125 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.839 8.031 3.022 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.814 7.694 1.937 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.763 9.509 3.409 1.00 0.00 C ATOM 0 H VAL A 67 -11.267 7.371 4.388 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.447 8.205 1.657 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.597 7.441 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.817 7.972 2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.841 6.624 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.053 8.245 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.747 9.751 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.035 10.124 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.453 9.706 4.230 1.00 0.00 H new ATOM 1016 N SER A 68 -10.732 5.893 1.000 1.00 0.00 N ATOM 1017 CA SER A 68 -10.907 4.522 0.552 1.00 0.00 C ATOM 1018 C SER A 68 -9.562 3.938 0.117 1.00 0.00 C ATOM 1019 O SER A 68 -8.664 4.674 -0.290 1.00 0.00 O ATOM 1020 CB SER A 68 -11.916 4.442 -0.595 1.00 0.00 C ATOM 1021 OG SER A 68 -13.078 5.227 -0.340 1.00 0.00 O ATOM 0 H SER A 68 -10.884 6.599 0.280 1.00 0.00 H new ATOM 0 HA SER A 68 -11.297 3.937 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.444 4.782 -1.517 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.207 3.403 -0.750 1.00 0.00 H new ATOM 0 HG SER A 68 -13.697 5.151 -1.096 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.464 2.621 0.219 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.243 1.930 -0.159 1.00 0.00 C ATOM 1029 C PHE A 69 -8.343 1.377 -1.582 1.00 0.00 C ATOM 1030 O PHE A 69 -9.366 0.808 -1.960 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.069 0.764 0.817 1.00 0.00 C ATOM 1032 CG PHE A 69 -6.990 -0.239 0.402 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.679 0.123 0.429 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.342 -1.492 0.006 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.678 -0.808 0.043 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.341 -2.422 -0.379 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.030 -2.061 -0.352 1.00 0.00 C ATOM 0 H PHE A 69 -10.210 2.014 0.558 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.400 2.620 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.822 1.161 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.020 0.240 0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.399 1.118 0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.383 -1.779 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.637 -0.521 0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.621 -3.417 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.269 -2.769 -0.644 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.267 1.565 -2.333 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.222 1.093 -3.706 1.00 0.00 C ATOM 1049 C LYS A 70 -5.831 1.360 -4.286 1.00 0.00 C ATOM 1050 O LYS A 70 -4.907 1.711 -3.555 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.358 1.710 -4.523 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.251 3.237 -4.545 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.528 3.868 -5.104 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.723 3.589 -4.190 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.626 2.591 -4.806 1.00 0.00 N ATOM 0 H LYS A 70 -6.420 2.038 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.383 0.016 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.328 1.325 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.318 1.415 -4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.070 3.607 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.397 3.537 -5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.390 4.944 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.727 3.473 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.372 3.224 -3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.268 4.514 -4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.200 2.139 -4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.251 3.064 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.062 1.868 -5.296 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.728 1.183 -5.595 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.466 1.401 -6.282 1.00 0.00 C ATOM 1071 C ALA A 71 -4.152 2.898 -6.302 1.00 0.00 C ATOM 1072 O ALA A 71 -5.060 3.727 -6.253 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.540 0.803 -7.689 1.00 0.00 C ATOM 0 H ALA A 71 -6.497 0.891 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.653 0.900 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.593 0.967 -8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.735 -0.267 -7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.344 1.283 -8.247 1.00 0.00 H new ATOM 1079 N PRO A 72 -2.830 3.208 -6.374 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.385 4.591 -6.400 1.00 0.00 C ATOM 1081 C PRO A 72 -2.644 5.224 -7.769 1.00 0.00 C ATOM 1082 O PRO A 72 -2.353 6.401 -7.977 1.00 0.00 O ATOM 1083 CB PRO A 72 -0.909 4.536 -6.040 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.474 3.100 -6.281 1.00 0.00 C ATOM 1085 CD PRO A 72 -1.727 2.253 -6.433 1.00 0.00 C ATOM 0 HA PRO A 72 -2.929 5.222 -5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.331 5.227 -6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.750 4.823 -5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.143 3.033 -7.177 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.132 2.740 -5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.725 1.709 -7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.802 1.511 -5.638 1.00 0.00 H new ATOM 1093 N SER A 73 -3.187 4.415 -8.666 1.00 0.00 N ATOM 1094 CA SER A 73 -3.488 4.881 -10.009 1.00 0.00 C ATOM 1095 C SER A 73 -4.752 5.743 -9.993 1.00 0.00 C ATOM 1096 O SER A 73 -4.868 6.696 -10.762 1.00 0.00 O ATOM 1097 CB SER A 73 -3.659 3.707 -10.975 1.00 0.00 C ATOM 1098 OG SER A 73 -3.033 3.954 -12.231 1.00 0.00 O ATOM 0 H SER A 73 -3.427 3.439 -8.489 1.00 0.00 H new ATOM 0 HA SER A 73 -2.649 5.483 -10.357 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.236 2.807 -10.530 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.721 3.517 -11.130 1.00 0.00 H new ATOM 0 HG SER A 73 -3.163 3.181 -12.819 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.668 5.377 -9.108 1.00 0.00 N ATOM 1105 CA TYR A 74 -6.919 6.104 -8.982 1.00 0.00 C ATOM 1106 C TYR A 74 -6.816 7.191 -7.910 1.00 0.00 C ATOM 1107 O TYR A 74 -7.403 8.263 -8.048 1.00 0.00 O ATOM 1108 CB TYR A 74 -7.964 5.074 -8.548 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.126 3.904 -9.521 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -8.216 4.143 -10.877 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.184 2.611 -9.042 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -8.368 3.042 -11.793 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.336 1.511 -9.957 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.421 1.780 -11.288 1.00 0.00 C ATOM 1115 OH TYR A 74 -8.565 0.740 -12.153 1.00 0.00 O ATOM 0 H TYR A 74 -5.568 4.586 -8.471 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.177 6.590 -9.923 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.689 4.683 -7.568 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.926 5.574 -8.433 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.172 5.155 -11.251 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.115 2.425 -7.980 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.438 3.214 -12.857 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.382 0.494 -9.595 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.586 -0.102 -11.652 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.065 6.876 -6.864 1.00 0.00 N ATOM 1126 CA LEU A 75 -5.877 7.812 -5.769 1.00 0.00 C ATOM 1127 C LEU A 75 -5.095 9.028 -6.271 1.00 0.00 C ATOM 1128 O LEU A 75 -4.153 8.886 -7.049 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.227 7.114 -4.573 1.00 0.00 C ATOM 1130 CG LEU A 75 -5.961 5.885 -4.033 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.102 5.138 -3.011 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.328 6.270 -3.462 1.00 0.00 C ATOM 0 H LEU A 75 -5.580 5.986 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.840 8.177 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.218 6.814 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.129 7.838 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.140 5.202 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.647 4.269 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.176 4.812 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.870 5.800 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.829 5.378 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.195 6.983 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.935 6.723 -4.246 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.515 10.195 -5.806 1.00 0.00 N ATOM 1145 CA GLU A 76 -4.865 11.434 -6.198 1.00 0.00 C ATOM 1146 C GLU A 76 -3.690 11.735 -5.266 1.00 0.00 C ATOM 1147 O GLU A 76 -3.425 10.981 -4.331 1.00 0.00 O ATOM 1148 CB GLU A 76 -5.862 12.594 -6.215 1.00 0.00 C ATOM 1149 CG GLU A 76 -6.743 12.542 -7.465 1.00 0.00 C ATOM 1150 CD GLU A 76 -6.015 13.135 -8.674 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -5.014 12.515 -9.093 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -6.476 14.194 -9.150 1.00 0.00 O ATOM 0 H GLU A 76 -6.297 10.309 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.479 11.315 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.487 12.554 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.324 13.541 -6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.022 11.509 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.667 13.092 -7.286 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.016 12.840 -5.553 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.875 13.250 -4.752 1.00 0.00 C ATOM 1161 C ILE A 77 -2.269 13.250 -3.274 1.00 0.00 C ATOM 1162 O ILE A 77 -1.677 12.530 -2.470 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.331 14.593 -5.243 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -0.867 14.498 -6.698 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.223 15.106 -4.321 1.00 0.00 C ATOM 1166 CD1 ILE A 77 0.087 15.642 -7.046 1.00 0.00 C ATOM 0 H ILE A 77 -3.239 13.464 -6.329 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.056 12.540 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.141 15.322 -5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.370 13.542 -6.863 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.731 14.526 -7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.146 16.062 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.619 15.237 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.594 14.385 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.401 15.550 -8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.421 16.596 -6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.962 15.596 -6.397 1.00 0.00 H new ATOM 1178 N SER A 78 -3.265 14.065 -2.959 1.00 0.00 N ATOM 1179 CA SER A 78 -3.744 14.167 -1.591 1.00 0.00 C ATOM 1180 C SER A 78 -4.087 12.778 -1.051 1.00 0.00 C ATOM 1181 O SER A 78 -3.656 12.408 0.040 1.00 0.00 O ATOM 1182 CB SER A 78 -4.964 15.087 -1.503 1.00 0.00 C ATOM 1183 OG SER A 78 -4.594 16.463 -1.471 1.00 0.00 O ATOM 0 H SER A 78 -3.753 14.661 -3.628 1.00 0.00 H new ATOM 0 HA SER A 78 -2.950 14.600 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.616 14.907 -2.357 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.537 14.845 -0.608 1.00 0.00 H new ATOM 0 HG SER A 78 -5.400 17.017 -1.416 1.00 0.00 H new ATOM 1189 N SER A 79 -4.859 12.045 -1.840 1.00 0.00 N ATOM 1190 CA SER A 79 -5.264 10.704 -1.455 1.00 0.00 C ATOM 1191 C SER A 79 -4.049 9.907 -0.975 1.00 0.00 C ATOM 1192 O SER A 79 -4.065 9.341 0.117 1.00 0.00 O ATOM 1193 CB SER A 79 -5.948 9.980 -2.616 1.00 0.00 C ATOM 1194 OG SER A 79 -7.226 10.537 -2.914 1.00 0.00 O ATOM 0 H SER A 79 -5.215 12.355 -2.744 1.00 0.00 H new ATOM 0 HA SER A 79 -5.982 10.786 -0.639 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.314 10.034 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.061 8.924 -2.369 1.00 0.00 H new ATOM 0 HG SER A 79 -7.629 10.049 -3.662 1.00 0.00 H new ATOM 1200 N MET A 80 -3.025 9.889 -1.815 1.00 0.00 N ATOM 1201 CA MET A 80 -1.804 9.171 -1.490 1.00 0.00 C ATOM 1202 C MET A 80 -1.183 9.702 -0.196 1.00 0.00 C ATOM 1203 O MET A 80 -0.983 8.948 0.755 1.00 0.00 O ATOM 1204 CB MET A 80 -0.802 9.323 -2.637 1.00 0.00 C ATOM 1205 CG MET A 80 -1.305 8.623 -3.901 1.00 0.00 C ATOM 1206 SD MET A 80 -0.023 8.610 -5.143 1.00 0.00 S ATOM 1207 CE MET A 80 -0.533 10.009 -6.128 1.00 0.00 C ATOM 0 H MET A 80 -3.015 10.360 -2.720 1.00 0.00 H new ATOM 0 HA MET A 80 -2.050 8.119 -1.347 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.638 10.381 -2.844 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.160 8.903 -2.343 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.605 7.602 -3.666 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.188 9.135 -4.283 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.184 9.879 -7.152 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.621 10.081 -6.122 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.107 10.922 -5.712 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.896 10.995 -0.202 1.00 0.00 N ATOM 1218 CA ARG A 81 -0.303 11.636 0.959 1.00 0.00 C ATOM 1219 C ARG A 81 -0.913 11.074 2.245 1.00 0.00 C ATOM 1220 O ARG A 81 -0.206 10.502 3.073 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.515 13.151 0.921 1.00 0.00 C ATOM 1222 CG ARG A 81 0.812 13.885 0.717 1.00 0.00 C ATOM 1223 CD ARG A 81 0.892 14.492 -0.685 1.00 0.00 C ATOM 1224 NE ARG A 81 1.037 15.962 -0.592 1.00 0.00 N ATOM 1225 CZ ARG A 81 0.033 16.799 -0.298 1.00 0.00 C ATOM 1226 NH1 ARG A 81 -1.196 16.316 -0.066 1.00 0.00 N ATOM 1227 NH2 ARG A 81 0.256 18.119 -0.235 1.00 0.00 N ATOM 0 H ARG A 81 -1.063 11.617 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 81 0.767 11.430 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.203 13.405 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.978 13.481 1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.915 14.672 1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.641 13.193 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.738 14.068 -1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.006 14.242 -1.250 1.00 0.00 H new ATOM 0 HE ARG A 81 1.959 16.363 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.367 15.311 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.960 16.953 0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.191 18.487 -0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.509 18.755 -0.011 1.00 0.00 H new ATOM 1241 N ARG A 82 -2.219 11.257 2.371 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.933 10.776 3.542 1.00 0.00 C ATOM 1243 C ARG A 82 -2.443 9.378 3.924 1.00 0.00 C ATOM 1244 O ARG A 82 -1.843 9.194 4.982 1.00 0.00 O ATOM 1245 CB ARG A 82 -4.441 10.729 3.287 1.00 0.00 C ATOM 1246 CG ARG A 82 -5.004 12.135 3.070 1.00 0.00 C ATOM 1247 CD ARG A 82 -6.467 12.077 2.625 1.00 0.00 C ATOM 1248 NE ARG A 82 -7.250 13.119 3.324 1.00 0.00 N ATOM 1249 CZ ARG A 82 -7.520 13.103 4.637 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -7.072 12.097 5.400 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -8.239 14.091 5.186 1.00 0.00 N ATOM 0 H ARG A 82 -2.802 11.732 1.681 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.736 11.470 4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.647 10.112 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.942 10.259 4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.923 12.709 3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.412 12.656 2.318 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.534 12.222 1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.882 11.093 2.840 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.607 13.899 2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.526 11.344 4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.277 12.084 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.581 14.856 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.444 14.078 6.185 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.718 8.428 3.042 1.00 0.00 N ATOM 1266 CA ILE A 83 -2.313 7.052 3.274 1.00 0.00 C ATOM 1267 C ILE A 83 -0.885 7.030 3.823 1.00 0.00 C ATOM 1268 O ILE A 83 -0.624 6.422 4.859 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.496 6.218 2.004 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.980 5.997 1.703 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.728 4.899 2.098 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -4.275 6.207 0.216 1.00 0.00 C ATOM 0 H ILE A 83 -3.216 8.584 2.166 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.951 6.589 4.027 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.076 6.775 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.268 4.987 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.582 6.685 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.875 4.326 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.666 5.105 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.095 4.324 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.336 6.044 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.009 7.225 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.690 5.502 -0.374 1.00 0.00 H new ATOM 1284 N LEU A 84 0.002 7.702 3.103 1.00 0.00 N ATOM 1285 CA LEU A 84 1.396 7.768 3.505 1.00 0.00 C ATOM 1286 C LEU A 84 1.482 8.241 4.957 1.00 0.00 C ATOM 1287 O LEU A 84 2.143 7.611 5.781 1.00 0.00 O ATOM 1288 CB LEU A 84 2.195 8.632 2.528 1.00 0.00 C ATOM 1289 CG LEU A 84 2.484 8.008 1.161 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.045 9.049 0.190 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.405 6.795 1.296 1.00 0.00 C ATOM 0 H LEU A 84 -0.218 8.205 2.244 1.00 0.00 H new ATOM 0 HA LEU A 84 1.851 6.778 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.653 9.565 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.145 8.890 2.996 1.00 0.00 H new ATOM 0 HG LEU A 84 1.543 7.652 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.242 8.579 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.321 9.853 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.973 9.457 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.594 6.370 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.349 7.103 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.929 6.046 1.928 1.00 0.00 H new ATOM 1303 N ASP A 85 0.804 9.347 5.227 1.00 0.00 N ATOM 1304 CA ASP A 85 0.796 9.912 6.565 1.00 0.00 C ATOM 1305 C ASP A 85 0.573 8.794 7.585 1.00 0.00 C ATOM 1306 O ASP A 85 0.994 8.905 8.735 1.00 0.00 O ATOM 1307 CB ASP A 85 -0.334 10.931 6.726 1.00 0.00 C ATOM 1308 CG ASP A 85 0.080 12.263 7.354 1.00 0.00 C ATOM 1309 OD1 ASP A 85 0.067 12.329 8.603 1.00 0.00 O ATOM 1310 OD2 ASP A 85 0.399 13.184 6.573 1.00 0.00 O ATOM 0 H ASP A 85 0.256 9.867 4.541 1.00 0.00 H new ATOM 0 HA ASP A 85 1.754 10.407 6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.767 11.128 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.119 10.487 7.338 1.00 0.00 H new ATOM 1315 N SER A 86 -0.089 7.742 7.126 1.00 0.00 N ATOM 1316 CA SER A 86 -0.374 6.604 7.984 1.00 0.00 C ATOM 1317 C SER A 86 0.219 5.331 7.378 1.00 0.00 C ATOM 1318 O SER A 86 -0.394 4.266 7.441 1.00 0.00 O ATOM 1319 CB SER A 86 -1.879 6.439 8.199 1.00 0.00 C ATOM 1320 OG SER A 86 -2.214 6.339 9.581 1.00 0.00 O ATOM 0 H SER A 86 -0.436 7.654 6.171 1.00 0.00 H new ATOM 0 HA SER A 86 0.086 6.785 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.403 7.288 7.760 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.224 5.546 7.677 1.00 0.00 H new ATOM 0 HG SER A 86 -1.430 6.564 10.125 1.00 0.00 H new ATOM 1326 N ALA A 87 1.403 5.482 6.804 1.00 0.00 N ATOM 1327 CA ALA A 87 2.085 4.357 6.187 1.00 0.00 C ATOM 1328 C ALA A 87 2.202 3.218 7.201 1.00 0.00 C ATOM 1329 O ALA A 87 1.589 2.165 7.031 1.00 0.00 O ATOM 1330 CB ALA A 87 3.448 4.812 5.662 1.00 0.00 C ATOM 0 H ALA A 87 1.908 6.367 6.753 1.00 0.00 H new ATOM 0 HA ALA A 87 1.516 3.983 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.960 3.968 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.308 5.601 4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.048 5.191 6.489 1.00 0.00 H new ATOM 1336 N GLU A 88 2.993 3.467 8.235 1.00 0.00 N ATOM 1337 CA GLU A 88 3.198 2.475 9.276 1.00 0.00 C ATOM 1338 C GLU A 88 1.852 1.966 9.796 1.00 0.00 C ATOM 1339 O GLU A 88 1.722 0.794 10.146 1.00 0.00 O ATOM 1340 CB GLU A 88 4.046 3.045 10.416 1.00 0.00 C ATOM 1341 CG GLU A 88 3.380 4.277 11.032 1.00 0.00 C ATOM 1342 CD GLU A 88 4.303 4.946 12.053 1.00 0.00 C ATOM 1343 OE1 GLU A 88 4.386 4.410 13.180 1.00 0.00 O ATOM 1344 OE2 GLU A 88 4.905 5.977 11.684 1.00 0.00 O ATOM 0 H GLU A 88 3.499 4.342 8.374 1.00 0.00 H new ATOM 0 HA GLU A 88 3.742 1.633 8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.190 2.284 11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.034 3.311 10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.125 4.988 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.447 3.987 11.515 1.00 0.00 H new ATOM 1351 N PHE A 89 0.886 2.871 9.830 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.445 2.528 10.300 1.00 0.00 C ATOM 1353 C PHE A 89 -1.087 1.466 9.404 1.00 0.00 C ATOM 1354 O PHE A 89 -1.850 0.627 9.879 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.285 3.805 10.239 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.502 4.473 11.599 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.263 3.860 12.544 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -0.933 5.680 11.861 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.464 4.480 13.806 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -1.134 6.300 13.123 1.00 0.00 C ATOM 1361 CZ PHE A 89 -1.895 5.687 14.068 1.00 0.00 C ATOM 0 H PHE A 89 0.998 3.842 9.540 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.389 2.126 11.312 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.799 4.515 9.570 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.256 3.569 9.803 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.715 2.902 12.335 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.329 6.167 11.110 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.068 3.993 14.557 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.682 7.258 13.332 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.048 6.159 15.027 1.00 0.00 H new ATOM 1371 N ILE A 90 -0.754 1.539 8.124 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.288 0.595 7.157 1.00 0.00 C ATOM 1373 C ILE A 90 -1.024 -0.832 7.644 1.00 0.00 C ATOM 1374 O ILE A 90 -0.085 -1.069 8.402 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.729 0.882 5.763 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -0.965 2.341 5.367 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.302 -0.092 4.731 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.285 2.859 5.944 1.00 0.00 C ATOM 0 H ILE A 90 -0.121 2.237 7.734 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.369 0.708 7.071 1.00 0.00 H new ATOM 0 HB ILE A 90 0.349 0.726 5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.140 2.957 5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.979 2.429 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.888 0.134 3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.040 -1.113 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.387 0.008 4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.429 3.898 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.110 2.256 5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.258 2.792 7.032 1.00 0.00 H new ATOM 1390 N LYS A 91 -1.869 -1.744 7.188 1.00 0.00 N ATOM 1391 CA LYS A 91 -1.738 -3.141 7.567 1.00 0.00 C ATOM 1392 C LYS A 91 -2.526 -4.008 6.583 1.00 0.00 C ATOM 1393 O LYS A 91 -3.372 -3.505 5.846 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.150 -3.340 9.028 1.00 0.00 C ATOM 1395 CG LYS A 91 -1.076 -4.110 9.800 1.00 0.00 C ATOM 1396 CD LYS A 91 -1.706 -5.018 10.858 1.00 0.00 C ATOM 1397 CE LYS A 91 -1.620 -4.382 12.247 1.00 0.00 C ATOM 1398 NZ LYS A 91 -2.397 -5.173 13.228 1.00 0.00 N ATOM 0 H LYS A 91 -2.647 -1.543 6.560 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.696 -3.456 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.316 -2.371 9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.094 -3.882 9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.484 -4.709 9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.393 -3.408 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.749 -5.208 10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.198 -5.983 10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.578 -4.322 12.562 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.001 -3.361 12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.328 -4.728 14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.394 -5.208 12.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.015 -6.139 13.275 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.219 -5.297 6.603 1.00 0.00 N ATOM 1413 CA PHE A 92 -2.887 -6.239 5.721 1.00 0.00 C ATOM 1414 C PHE A 92 -3.090 -7.588 6.413 1.00 0.00 C ATOM 1415 O PHE A 92 -2.122 -8.256 6.775 1.00 0.00 O ATOM 1416 CB PHE A 92 -1.980 -6.434 4.505 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.054 -5.297 3.484 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.515 -4.083 3.778 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -2.659 -5.499 2.283 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -1.584 -3.027 2.831 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -2.728 -4.444 1.336 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.189 -3.230 1.630 1.00 0.00 C ATOM 0 H PHE A 92 -1.517 -5.711 7.216 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.867 -5.854 5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.950 -6.536 4.846 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.247 -7.369 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.035 -3.922 4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.087 -6.463 2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.156 -2.063 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.208 -4.605 0.382 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.242 -2.427 0.909 1.00 0.00 H new ATOM 1432 N THR A 93 -4.354 -7.950 6.575 1.00 0.00 N ATOM 1433 CA THR A 93 -4.696 -9.208 7.217 1.00 0.00 C ATOM 1434 C THR A 93 -5.224 -10.207 6.185 1.00 0.00 C ATOM 1435 O THR A 93 -6.095 -9.874 5.383 1.00 0.00 O ATOM 1436 CB THR A 93 -5.693 -8.910 8.339 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.227 -7.686 8.901 1.00 0.00 O ATOM 1438 CG2 THR A 93 -5.592 -9.911 9.492 1.00 0.00 C ATOM 0 H THR A 93 -5.154 -7.394 6.273 1.00 0.00 H new ATOM 0 HA THR A 93 -3.818 -9.678 7.659 1.00 0.00 H new ATOM 0 HB THR A 93 -6.706 -8.920 7.937 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.817 -7.418 9.636 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.320 -9.655 10.261 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.795 -10.915 9.121 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.589 -9.877 9.917 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.675 -11.411 6.240 1.00 0.00 N ATOM 1447 CA VAL A 94 -5.079 -12.461 5.321 1.00 0.00 C ATOM 1448 C VAL A 94 -5.996 -13.446 6.049 1.00 0.00 C ATOM 1449 O VAL A 94 -5.603 -14.580 6.321 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.844 -13.130 4.714 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -4.226 -14.403 3.957 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -3.084 -12.160 3.807 1.00 0.00 C ATOM 0 H VAL A 94 -3.953 -11.683 6.907 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.647 -12.043 4.490 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.181 -13.413 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.330 -14.859 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.702 -15.105 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.919 -14.154 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.211 -12.661 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.736 -11.832 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.763 -11.295 4.387 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.199 -12.977 6.345 1.00 0.00 N ATOM 1463 CA ILE A 95 -8.174 -13.803 7.036 1.00 0.00 C ATOM 1464 C ILE A 95 -8.444 -15.064 6.213 1.00 0.00 C ATOM 1465 O ILE A 95 -8.416 -16.173 6.743 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.434 -12.993 7.352 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.173 -11.987 8.474 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.613 -13.915 7.671 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.251 -10.863 7.999 1.00 0.00 C ATOM 0 H ILE A 95 -7.521 -12.036 6.119 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.782 -14.129 7.999 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.704 -12.421 6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.118 -11.566 8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.723 -12.496 9.326 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.495 -13.314 7.892 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.816 -14.556 6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.369 -14.532 8.536 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.082 -10.162 8.816 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.298 -11.285 7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.715 -10.341 7.163 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.699 -14.852 4.930 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.974 -15.958 4.029 1.00 0.00 C ATOM 1483 C ARG A 96 -8.260 -15.743 2.693 1.00 0.00 C ATOM 1484 O ARG A 96 -8.185 -14.619 2.198 1.00 0.00 O ATOM 1485 CB ARG A 96 -10.476 -16.105 3.779 1.00 0.00 C ATOM 1486 CG ARG A 96 -11.233 -16.308 5.092 1.00 0.00 C ATOM 1487 CD ARG A 96 -12.325 -17.369 4.937 1.00 0.00 C ATOM 1488 NE ARG A 96 -12.133 -18.443 5.937 1.00 0.00 N ATOM 1489 CZ ARG A 96 -11.298 -19.478 5.777 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -10.572 -19.586 4.656 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -11.188 -20.406 6.738 1.00 0.00 N ATOM 0 H ARG A 96 -8.721 -13.931 4.493 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.605 -16.869 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.852 -15.217 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.657 -16.951 3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.537 -16.609 5.875 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.679 -15.365 5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.307 -16.913 5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.296 -17.788 3.931 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.670 -18.392 6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.655 -18.880 3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.936 -20.374 4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.740 -20.324 7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.552 -21.194 6.616 1.00 0.00 H new ATOM 1505 N PRO A 97 -7.739 -16.867 2.132 1.00 0.00 N ATOM 1506 CA PRO A 97 -7.033 -16.813 0.863 1.00 0.00 C ATOM 1507 C PRO A 97 -8.011 -16.644 -0.301 1.00 0.00 C ATOM 1508 O PRO A 97 -9.208 -16.456 -0.089 1.00 0.00 O ATOM 1509 CB PRO A 97 -6.247 -18.112 0.794 1.00 0.00 C ATOM 1510 CG PRO A 97 -6.898 -19.047 1.801 1.00 0.00 C ATOM 1511 CD PRO A 97 -7.808 -18.215 2.690 1.00 0.00 C ATOM 0 HA PRO A 97 -6.365 -15.955 0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.280 -18.535 -0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.197 -17.947 1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.469 -19.822 1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.139 -19.553 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.829 -18.596 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.472 -18.232 3.727 1.00 0.00 H new ATOM 1519 N PHE A 98 -7.466 -16.717 -1.506 1.00 0.00 N ATOM 1520 CA PHE A 98 -8.275 -16.575 -2.704 1.00 0.00 C ATOM 1521 C PHE A 98 -7.422 -16.734 -3.964 1.00 0.00 C ATOM 1522 O PHE A 98 -6.194 -16.742 -3.891 1.00 0.00 O ATOM 1523 CB PHE A 98 -8.867 -15.164 -2.679 1.00 0.00 C ATOM 1524 CG PHE A 98 -7.828 -14.050 -2.823 1.00 0.00 C ATOM 1525 CD1 PHE A 98 -7.123 -13.633 -1.737 1.00 0.00 C ATOM 1526 CD2 PHE A 98 -7.610 -13.477 -4.037 1.00 0.00 C ATOM 1527 CE1 PHE A 98 -6.159 -12.600 -1.871 1.00 0.00 C ATOM 1528 CE2 PHE A 98 -6.645 -12.444 -4.171 1.00 0.00 C ATOM 1529 CZ PHE A 98 -5.940 -12.027 -3.085 1.00 0.00 C ATOM 0 H PHE A 98 -6.473 -16.873 -1.678 1.00 0.00 H new ATOM 0 HA PHE A 98 -9.050 -17.342 -2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.596 -15.073 -3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.407 -15.024 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -7.297 -14.088 -0.773 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -8.171 -13.808 -4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.599 -12.269 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -6.471 -11.989 -5.135 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.206 -11.241 -3.187 1.00 0.00 H new ATOM 1539 N PRO A 99 -8.125 -16.860 -5.122 1.00 0.00 N ATOM 1540 CA PRO A 99 -7.445 -17.019 -6.396 1.00 0.00 C ATOM 1541 C PRO A 99 -6.843 -15.693 -6.866 1.00 0.00 C ATOM 1542 O PRO A 99 -7.541 -14.860 -7.443 1.00 0.00 O ATOM 1543 CB PRO A 99 -8.506 -17.557 -7.343 1.00 0.00 C ATOM 1544 CG PRO A 99 -9.843 -17.243 -6.693 1.00 0.00 C ATOM 1545 CD PRO A 99 -9.579 -16.854 -5.248 1.00 0.00 C ATOM 0 HA PRO A 99 -6.597 -17.702 -6.338 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.429 -17.087 -8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.387 -18.630 -7.493 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.343 -16.431 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.503 -18.109 -6.741 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.992 -15.871 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -10.039 -17.561 -4.557 1.00 0.00 H new ATOM 1553 N GLY A 100 -5.555 -15.538 -6.600 1.00 0.00 N ATOM 1554 CA GLY A 100 -4.851 -14.327 -6.988 1.00 0.00 C ATOM 1555 C GLY A 100 -3.744 -13.992 -5.986 1.00 0.00 C ATOM 1556 O GLY A 100 -2.848 -13.204 -6.286 1.00 0.00 O ATOM 0 H GLY A 100 -4.980 -16.231 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.421 -14.454 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.555 -13.497 -7.049 1.00 0.00 H new ATOM 1560 N LEU A 101 -3.843 -14.606 -4.816 1.00 0.00 N ATOM 1561 CA LEU A 101 -2.861 -14.382 -3.769 1.00 0.00 C ATOM 1562 C LEU A 101 -1.608 -15.209 -4.064 1.00 0.00 C ATOM 1563 O LEU A 101 -1.652 -16.147 -4.860 1.00 0.00 O ATOM 1564 CB LEU A 101 -3.472 -14.661 -2.394 1.00 0.00 C ATOM 1565 CG LEU A 101 -2.562 -14.402 -1.191 1.00 0.00 C ATOM 1566 CD1 LEU A 101 -2.312 -12.904 -1.005 1.00 0.00 C ATOM 1567 CD2 LEU A 101 -3.128 -15.050 0.074 1.00 0.00 C ATOM 0 H LEU A 101 -4.588 -15.258 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.555 -13.336 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.368 -14.049 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.792 -15.703 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.596 -14.868 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.663 -12.748 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.834 -12.501 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.261 -12.394 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.462 -14.851 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.113 -14.635 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.212 -16.126 -0.075 1.00 0.00 H new ATOM 1579 N VAL A 102 -0.521 -14.832 -3.408 1.00 0.00 N ATOM 1580 CA VAL A 102 0.742 -15.528 -3.591 1.00 0.00 C ATOM 1581 C VAL A 102 1.537 -15.483 -2.285 1.00 0.00 C ATOM 1582 O VAL A 102 1.477 -14.498 -1.550 1.00 0.00 O ATOM 1583 CB VAL A 102 1.503 -14.928 -4.775 1.00 0.00 C ATOM 1584 CG1 VAL A 102 2.856 -15.617 -4.963 1.00 0.00 C ATOM 1585 CG2 VAL A 102 0.669 -14.999 -6.056 1.00 0.00 C ATOM 0 H VAL A 102 -0.488 -14.054 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 102 0.569 -16.577 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 102 1.690 -13.877 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.376 -15.172 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.457 -15.491 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.700 -16.679 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.233 -14.566 -6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.437 -16.040 -6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.258 -14.442 -5.918 1.00 0.00 H new ATOM 1595 N ILE A 103 2.265 -16.562 -2.035 1.00 0.00 N ATOM 1596 CA ILE A 103 3.072 -16.658 -0.831 1.00 0.00 C ATOM 1597 C ILE A 103 4.449 -17.221 -1.188 1.00 0.00 C ATOM 1598 O ILE A 103 5.471 -16.688 -0.758 1.00 0.00 O ATOM 1599 CB ILE A 103 2.338 -17.465 0.243 1.00 0.00 C ATOM 1600 CG1 ILE A 103 0.898 -16.974 0.408 1.00 0.00 C ATOM 1601 CG2 ILE A 103 3.106 -17.444 1.565 1.00 0.00 C ATOM 1602 CD1 ILE A 103 0.280 -17.514 1.699 1.00 0.00 C ATOM 0 H ILE A 103 2.312 -17.377 -2.646 1.00 0.00 H new ATOM 0 HA ILE A 103 3.233 -15.669 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 103 2.289 -18.504 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.881 -15.884 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.301 -17.293 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.563 -18.025 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.095 -17.877 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.208 -16.415 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.743 -17.150 1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.277 -18.604 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.865 -17.173 2.553 1.00 0.00 H new ATOM 1614 N ASN A 104 4.432 -18.290 -1.970 1.00 0.00 N ATOM 1615 CA ASN A 104 5.667 -18.930 -2.390 1.00 0.00 C ATOM 1616 C ASN A 104 6.363 -18.052 -3.432 1.00 0.00 C ATOM 1617 O ASN A 104 5.842 -17.850 -4.527 1.00 0.00 O ATOM 1618 CB ASN A 104 5.391 -20.292 -3.029 1.00 0.00 C ATOM 1619 CG ASN A 104 6.363 -21.351 -2.503 1.00 0.00 C ATOM 1620 OD1 ASN A 104 7.641 -21.082 -2.750 1.00 0.00 O flip ATOM 1621 ND2 ASN A 104 5.977 -22.346 -1.912 1.00 0.00 N flip ATOM 0 H ASN A 104 3.582 -18.729 -2.324 1.00 0.00 H new ATOM 0 HA ASN A 104 6.294 -19.065 -1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.366 -20.596 -2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.483 -20.215 -4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.980 -22.491 -1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.652 -23.032 -1.574 1.00 0.00 H new ATOM 1628 N ASN A 105 7.531 -17.553 -3.053 1.00 0.00 N ATOM 1629 CA ASN A 105 8.304 -16.701 -3.941 1.00 0.00 C ATOM 1630 C ASN A 105 8.208 -17.240 -5.369 1.00 0.00 C ATOM 1631 O ASN A 105 8.343 -18.442 -5.594 1.00 0.00 O ATOM 1632 CB ASN A 105 9.780 -16.684 -3.540 1.00 0.00 C ATOM 1633 CG ASN A 105 10.491 -17.954 -4.011 1.00 0.00 C ATOM 1634 OD1 ASN A 105 10.066 -19.064 -3.414 1.00 0.00 O flip ATOM 1635 ND2 ASN A 105 11.366 -17.928 -4.860 1.00 0.00 N flip ATOM 0 H ASN A 105 7.960 -17.722 -2.143 1.00 0.00 H new ATOM 0 HA ASN A 105 7.901 -15.691 -3.875 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.267 -15.809 -3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 105 9.865 -16.596 -2.457 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.645 -17.040 -5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 105 11.819 -18.794 -5.152 1.00 0.00 H new ATOM 1642 N GLN A 106 7.975 -16.324 -6.299 1.00 0.00 N ATOM 1643 CA GLN A 106 7.860 -16.693 -7.699 1.00 0.00 C ATOM 1644 C GLN A 106 7.190 -15.567 -8.491 1.00 0.00 C ATOM 1645 O GLN A 106 6.048 -15.705 -8.927 1.00 0.00 O ATOM 1646 CB GLN A 106 7.093 -18.007 -7.859 1.00 0.00 C ATOM 1647 CG GLN A 106 8.031 -19.142 -8.276 1.00 0.00 C ATOM 1648 CD GLN A 106 8.552 -18.928 -9.698 1.00 0.00 C ATOM 1649 OE1 GLN A 106 9.554 -18.270 -9.928 1.00 0.00 O ATOM 1650 NE2 GLN A 106 7.818 -19.518 -10.638 1.00 0.00 N ATOM 0 H GLN A 106 7.863 -15.328 -6.110 1.00 0.00 H new ATOM 0 HA GLN A 106 8.863 -16.845 -8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.602 -18.262 -6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.308 -17.886 -8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.870 -19.199 -7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.504 -20.094 -8.217 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.991 -20.054 -10.377 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.083 -19.434 -11.619 1.00 0.00 H new ATOM 1659 N LEU A 107 7.929 -14.480 -8.652 1.00 0.00 N ATOM 1660 CA LEU A 107 7.421 -13.331 -9.383 1.00 0.00 C ATOM 1661 C LEU A 107 8.015 -13.326 -10.793 1.00 0.00 C ATOM 1662 O LEU A 107 8.916 -14.108 -11.094 1.00 0.00 O ATOM 1663 CB LEU A 107 7.679 -12.042 -8.602 1.00 0.00 C ATOM 1664 CG LEU A 107 6.443 -11.345 -8.029 1.00 0.00 C ATOM 1665 CD1 LEU A 107 6.804 -10.510 -6.799 1.00 0.00 C ATOM 1666 CD2 LEU A 107 5.738 -10.511 -9.101 1.00 0.00 C ATOM 0 H LEU A 107 8.876 -14.370 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 107 6.339 -13.398 -9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.358 -12.269 -7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.196 -11.341 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 107 5.740 -12.111 -7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.907 -10.026 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.227 -11.158 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.535 -9.751 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.863 -10.026 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.423 -9.752 -9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.425 -11.160 -9.919 1.00 0.00 H new ATOM 1678 N VAL A 108 7.487 -12.435 -11.620 1.00 0.00 N ATOM 1679 CA VAL A 108 7.954 -12.318 -12.991 1.00 0.00 C ATOM 1680 C VAL A 108 7.896 -10.851 -13.421 1.00 0.00 C ATOM 1681 O VAL A 108 6.989 -10.449 -14.148 1.00 0.00 O ATOM 1682 CB VAL A 108 7.142 -13.241 -13.901 1.00 0.00 C ATOM 1683 CG1 VAL A 108 7.545 -13.060 -15.366 1.00 0.00 C ATOM 1684 CG2 VAL A 108 7.285 -14.702 -13.470 1.00 0.00 C ATOM 0 H VAL A 108 6.741 -11.788 -11.367 1.00 0.00 H new ATOM 0 HA VAL A 108 8.993 -12.639 -13.070 1.00 0.00 H new ATOM 0 HB VAL A 108 6.092 -12.965 -13.805 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.953 -13.728 -15.991 1.00 0.00 H new ATOM 0 HG12 VAL A 108 7.367 -12.028 -15.667 1.00 0.00 H new ATOM 0 HG13 VAL A 108 8.603 -13.295 -15.484 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.698 -15.336 -14.134 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.333 -14.996 -13.521 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.926 -14.816 -12.447 1.00 0.00 H new ATOM 1694 N SER A 109 8.875 -10.091 -12.953 1.00 0.00 N ATOM 1695 CA SER A 109 8.947 -8.677 -13.280 1.00 0.00 C ATOM 1696 C SER A 109 10.283 -8.098 -12.811 1.00 0.00 C ATOM 1697 O SER A 109 11.063 -8.783 -12.152 1.00 0.00 O ATOM 1698 CB SER A 109 7.784 -7.906 -12.650 1.00 0.00 C ATOM 1699 OG SER A 109 6.532 -8.264 -13.228 1.00 0.00 O ATOM 0 H SER A 109 9.625 -10.428 -12.350 1.00 0.00 H new ATOM 0 HA SER A 109 8.873 -8.573 -14.362 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.758 -8.101 -11.578 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.948 -6.836 -12.775 1.00 0.00 H new ATOM 0 HG SER A 109 6.685 -8.753 -14.063 1.00 0.00 H new ATOM 1705 N GLY A 110 10.506 -6.843 -13.171 1.00 0.00 N ATOM 1706 CA GLY A 110 11.735 -6.164 -12.795 1.00 0.00 C ATOM 1707 C GLY A 110 11.573 -4.645 -12.888 1.00 0.00 C ATOM 1708 O GLY A 110 10.684 -4.153 -13.581 1.00 0.00 O ATOM 0 H GLY A 110 9.857 -6.278 -13.719 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.012 -6.442 -11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.547 -6.487 -13.446 1.00 0.00 H new ATOM 1712 N PRO A 111 12.469 -3.926 -12.160 1.00 0.00 N ATOM 1713 CA PRO A 111 12.434 -2.474 -12.153 1.00 0.00 C ATOM 1714 C PRO A 111 12.988 -1.906 -13.461 1.00 0.00 C ATOM 1715 O PRO A 111 13.707 -2.593 -14.185 1.00 0.00 O ATOM 1716 CB PRO A 111 13.249 -2.066 -10.937 1.00 0.00 C ATOM 1717 CG PRO A 111 14.093 -3.278 -10.575 1.00 0.00 C ATOM 1718 CD PRO A 111 13.536 -4.475 -11.328 1.00 0.00 C ATOM 0 HA PRO A 111 11.420 -2.079 -12.087 1.00 0.00 H new ATOM 0 HB2 PRO A 111 13.878 -1.204 -11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 111 12.600 -1.781 -10.109 1.00 0.00 H new ATOM 0 HG2 PRO A 111 15.136 -3.110 -10.843 1.00 0.00 H new ATOM 0 HG3 PRO A 111 14.064 -3.456 -9.500 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.305 -4.954 -11.935 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.154 -5.231 -10.642 1.00 0.00 H new ATOM 1726 N SER A 112 12.633 -0.657 -13.725 1.00 0.00 N ATOM 1727 CA SER A 112 13.085 0.011 -14.933 1.00 0.00 C ATOM 1728 C SER A 112 14.572 -0.270 -15.161 1.00 0.00 C ATOM 1729 O SER A 112 15.011 -0.425 -16.299 1.00 0.00 O ATOM 1730 CB SER A 112 12.836 1.518 -14.856 1.00 0.00 C ATOM 1731 OG SER A 112 13.609 2.238 -15.812 1.00 0.00 O ATOM 0 H SER A 112 12.037 -0.090 -13.122 1.00 0.00 H new ATOM 0 HA SER A 112 12.514 -0.381 -15.774 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.777 1.719 -15.021 1.00 0.00 H new ATOM 0 HB3 SER A 112 13.076 1.874 -13.854 1.00 0.00 H new ATOM 0 HG SER A 112 13.420 3.196 -15.731 1.00 0.00 H new ATOM 1737 N SER A 113 15.306 -0.326 -14.059 1.00 0.00 N ATOM 1738 CA SER A 113 16.735 -0.585 -14.124 1.00 0.00 C ATOM 1739 C SER A 113 17.121 -1.646 -13.092 1.00 0.00 C ATOM 1740 O SER A 113 17.473 -1.318 -11.960 1.00 0.00 O ATOM 1741 CB SER A 113 17.538 0.697 -13.893 1.00 0.00 C ATOM 1742 OG SER A 113 17.449 1.147 -12.544 1.00 0.00 O ATOM 0 H SER A 113 14.938 -0.197 -13.116 1.00 0.00 H new ATOM 0 HA SER A 113 16.971 -0.955 -15.122 1.00 0.00 H new ATOM 0 HB2 SER A 113 18.583 0.521 -14.148 1.00 0.00 H new ATOM 0 HB3 SER A 113 17.174 1.478 -14.560 1.00 0.00 H new ATOM 0 HG SER A 113 17.653 0.405 -11.937 1.00 0.00 H new ATOM 1748 N GLY A 114 17.043 -2.898 -13.520 1.00 0.00 N ATOM 1749 CA GLY A 114 17.380 -4.010 -12.648 1.00 0.00 C ATOM 1750 C GLY A 114 18.894 -4.226 -12.595 1.00 0.00 C ATOM 1751 O GLY A 114 19.445 -4.527 -11.538 1.00 0.00 O ATOM 0 H GLY A 114 16.751 -3.167 -14.460 1.00 0.00 H new ATOM 0 HA2 GLY A 114 17.001 -3.817 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 114 16.892 -4.917 -13.004 1.00 0.00 H new TER 1755 GLY A 114