USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1130 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 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 120 HIS : no HE2:sc= -15.9! C(o=-16!,f=-11!) USER MOD Set 2.1: A 66 MET CE :methyl -152:sc= -2.15 (180deg=-0.565) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= -0.098 USER MOD Set 2.3: A 82 LYS NZ :NH3+ -97:sc= -3.68! (180deg=-5.81!) USER MOD Set 3.1: A 21 GLN : amide:sc= -1.76 K(o=-4.1,f=-1.1) USER MOD Set 3.2: A 79 GLN : amide:sc= -2.3! C(o=-4.1!,f=-2.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.00732 (180deg=-0.707) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -63:sc= -2.07! USER MOD Single : A 15 GLN : amide:sc= -1.26 X(o=-1.3,f=-0.84) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 73:sc= 1.11 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -3.48! C(o=-3.5!,f=-5.3!) USER MOD Single : A 32 TYR OH : rot -50:sc= 1.18 USER MOD Single : A 33 GLN : amide:sc= -0.411 K(o=-0.41,f=-3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 0.308 (180deg=0.172) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.557 K(o=-0.56,f=-2!) USER MOD Single : A 59 THR OG1 : rot -68:sc= 1.29 USER MOD Single : A 61 TYR OH : rot 90:sc= -2.88! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -115:sc= -3.7! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -2.13! C(o=-2.1!,f=-3.1!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.1!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 118.854 8.103 -22.315 1.00 0.00 N ATOM 2 CA MET A 1 119.350 7.232 -21.217 1.00 0.00 C ATOM 3 C MET A 1 118.226 6.380 -20.636 1.00 0.00 C ATOM 4 O MET A 1 117.109 6.374 -21.153 1.00 0.00 O ATOM 5 CB MET A 1 119.956 8.120 -20.128 1.00 0.00 C ATOM 6 CG MET A 1 121.183 8.892 -20.585 1.00 0.00 C ATOM 7 SD MET A 1 121.342 10.490 -19.767 1.00 0.00 S ATOM 8 CE MET A 1 122.980 10.982 -20.300 1.00 0.00 C ATOM 0 H1 MET A 1 119.542 8.104 -23.095 1.00 0.00 H new ATOM 0 H2 MET A 1 117.941 7.742 -22.659 1.00 0.00 H new ATOM 0 H3 MET A 1 118.731 9.073 -21.960 1.00 0.00 H new ATOM 0 HA MET A 1 120.105 6.552 -21.613 1.00 0.00 H new ATOM 0 HB2 MET A 1 119.200 8.826 -19.784 1.00 0.00 H new ATOM 0 HB3 MET A 1 120.225 7.500 -19.273 1.00 0.00 H new ATOM 0 HG2 MET A 1 122.075 8.297 -20.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 121.131 9.044 -21.663 1.00 0.00 H new ATOM 0 HE1 MET A 1 123.224 11.955 -19.874 1.00 0.00 H new ATOM 0 HE2 MET A 1 123.709 10.245 -19.962 1.00 0.00 H new ATOM 0 HE3 MET A 1 123.005 11.045 -21.388 1.00 0.00 H new ATOM 20 N LYS A 2 118.530 5.662 -19.560 1.00 0.00 N ATOM 21 CA LYS A 2 117.544 4.807 -18.909 1.00 0.00 C ATOM 22 C LYS A 2 116.392 5.633 -18.348 1.00 0.00 C ATOM 23 O LYS A 2 116.606 6.658 -17.700 1.00 0.00 O ATOM 24 CB LYS A 2 118.201 3.999 -17.788 1.00 0.00 C ATOM 25 CG LYS A 2 118.159 2.496 -18.017 1.00 0.00 C ATOM 26 CD LYS A 2 118.739 2.124 -19.373 1.00 0.00 C ATOM 27 CE LYS A 2 119.673 0.929 -19.268 1.00 0.00 C ATOM 28 NZ LYS A 2 120.986 1.301 -18.670 1.00 0.00 N ATOM 0 H LYS A 2 119.450 5.655 -19.121 1.00 0.00 H new ATOM 0 HA LYS A 2 117.144 4.122 -19.656 1.00 0.00 H new ATOM 0 HB2 LYS A 2 119.239 4.314 -17.685 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.703 4.229 -16.846 1.00 0.00 H new ATOM 0 HG2 LYS A 2 118.718 1.991 -17.230 1.00 0.00 H new ATOM 0 HG3 LYS A 2 117.129 2.145 -17.952 1.00 0.00 H new ATOM 0 HD2 LYS A 2 117.930 1.895 -20.066 1.00 0.00 H new ATOM 0 HD3 LYS A 2 119.280 2.976 -19.785 1.00 0.00 H new ATOM 0 HE2 LYS A 2 119.204 0.154 -18.661 1.00 0.00 H new ATOM 0 HE3 LYS A 2 119.833 0.505 -20.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 121.594 0.459 -18.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 121.445 2.022 -19.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 120.837 1.682 -17.714 1.00 0.00 H new ATOM 42 N PRO A 3 115.149 5.192 -18.592 1.00 0.00 N ATOM 43 CA PRO A 3 113.948 5.884 -18.115 1.00 0.00 C ATOM 44 C PRO A 3 113.889 5.960 -16.593 1.00 0.00 C ATOM 45 O PRO A 3 113.337 5.076 -15.938 1.00 0.00 O ATOM 46 CB PRO A 3 112.802 5.017 -18.653 1.00 0.00 C ATOM 47 CG PRO A 3 113.417 3.686 -18.902 1.00 0.00 C ATOM 48 CD PRO A 3 114.812 3.981 -19.355 1.00 0.00 C ATOM 0 HA PRO A 3 113.913 6.920 -18.453 1.00 0.00 H new ATOM 0 HB2 PRO A 3 111.987 4.948 -17.933 1.00 0.00 H new ATOM 0 HB3 PRO A 3 112.384 5.437 -19.568 1.00 0.00 H new ATOM 0 HG2 PRO A 3 113.416 3.076 -17.999 1.00 0.00 H new ATOM 0 HG3 PRO A 3 112.865 3.132 -19.661 1.00 0.00 H new ATOM 0 HD2 PRO A 3 115.493 3.159 -19.132 1.00 0.00 H new ATOM 0 HD3 PRO A 3 114.861 4.153 -20.430 1.00 0.00 H new ATOM 56 N ALA A 4 114.461 7.022 -16.037 1.00 0.00 N ATOM 57 CA ALA A 4 114.474 7.215 -14.591 1.00 0.00 C ATOM 58 C ALA A 4 114.886 5.935 -13.871 1.00 0.00 C ATOM 59 O ALA A 4 114.041 5.123 -13.495 1.00 0.00 O ATOM 60 CB ALA A 4 113.108 7.677 -14.109 1.00 0.00 C ATOM 0 H ALA A 4 114.922 7.763 -16.565 1.00 0.00 H new ATOM 0 HA ALA A 4 115.209 7.985 -14.358 1.00 0.00 H new ATOM 0 HB1 ALA A 4 113.132 7.817 -13.028 1.00 0.00 H new ATOM 0 HB2 ALA A 4 112.852 8.620 -14.592 1.00 0.00 H new ATOM 0 HB3 ALA A 4 112.360 6.925 -14.361 1.00 0.00 H new ATOM 66 N ALA A 5 116.191 5.762 -13.682 1.00 0.00 N ATOM 67 CA ALA A 5 116.714 4.581 -13.006 1.00 0.00 C ATOM 68 C ALA A 5 117.988 4.910 -12.236 1.00 0.00 C ATOM 69 O ALA A 5 117.944 5.201 -11.040 1.00 0.00 O ATOM 70 CB ALA A 5 116.976 3.470 -14.013 1.00 0.00 C ATOM 0 H ALA A 5 116.904 6.424 -13.987 1.00 0.00 H new ATOM 0 HA ALA A 5 115.966 4.240 -12.291 1.00 0.00 H new ATOM 0 HB1 ALA A 5 117.366 2.594 -13.495 1.00 0.00 H new ATOM 0 HB2 ALA A 5 116.045 3.209 -14.517 1.00 0.00 H new ATOM 0 HB3 ALA A 5 117.704 3.810 -14.749 1.00 0.00 H new ATOM 76 N ARG A 6 119.122 4.861 -12.928 1.00 0.00 N ATOM 77 CA ARG A 6 120.408 5.155 -12.308 1.00 0.00 C ATOM 78 C ARG A 6 120.892 3.975 -11.473 1.00 0.00 C ATOM 79 O ARG A 6 121.966 3.426 -11.719 1.00 0.00 O ATOM 80 CB ARG A 6 120.303 6.406 -11.434 1.00 0.00 C ATOM 81 CG ARG A 6 121.418 7.410 -11.671 1.00 0.00 C ATOM 82 CD ARG A 6 121.434 7.894 -13.112 1.00 0.00 C ATOM 83 NE ARG A 6 122.782 7.895 -13.674 1.00 0.00 N ATOM 84 CZ ARG A 6 123.051 8.203 -14.939 1.00 0.00 C ATOM 85 NH1 ARG A 6 122.070 8.535 -15.767 1.00 0.00 N ATOM 86 NH2 ARG A 6 124.303 8.181 -15.376 1.00 0.00 N ATOM 0 H ARG A 6 119.176 4.621 -13.918 1.00 0.00 H new ATOM 0 HA ARG A 6 121.133 5.336 -13.102 1.00 0.00 H new ATOM 0 HB2 ARG A 6 119.344 6.890 -11.621 1.00 0.00 H new ATOM 0 HB3 ARG A 6 120.311 6.108 -10.386 1.00 0.00 H new ATOM 0 HG2 ARG A 6 121.291 8.261 -11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 6 122.378 6.954 -11.429 1.00 0.00 H new ATOM 0 HD2 ARG A 6 120.790 7.255 -13.716 1.00 0.00 H new ATOM 0 HD3 ARG A 6 121.020 8.901 -13.161 1.00 0.00 H new ATOM 0 HE ARG A 6 123.559 7.646 -13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 6 121.106 8.555 -15.434 1.00 0.00 H new ATOM 0 HH12 ARG A 6 122.279 8.771 -16.737 1.00 0.00 H new ATOM 0 HH21 ARG A 6 125.060 7.928 -14.741 1.00 0.00 H new ATOM 0 HH22 ARG A 6 124.509 8.417 -16.347 1.00 0.00 H new ATOM 100 N ARG A 7 120.093 3.589 -10.482 1.00 0.00 N ATOM 101 CA ARG A 7 120.441 2.473 -9.610 1.00 0.00 C ATOM 102 C ARG A 7 119.189 1.764 -9.108 1.00 0.00 C ATOM 103 O ARG A 7 118.095 2.329 -9.121 1.00 0.00 O ATOM 104 CB ARG A 7 121.272 2.968 -8.424 1.00 0.00 C ATOM 105 CG ARG A 7 122.577 2.212 -8.239 1.00 0.00 C ATOM 106 CD ARG A 7 123.735 3.158 -7.961 1.00 0.00 C ATOM 107 NE ARG A 7 123.306 4.348 -7.231 1.00 0.00 N ATOM 108 CZ ARG A 7 124.103 5.380 -6.974 1.00 0.00 C ATOM 109 NH1 ARG A 7 125.362 5.368 -7.388 1.00 0.00 N ATOM 110 NH2 ARG A 7 123.639 6.427 -6.304 1.00 0.00 N ATOM 0 H ARG A 7 119.201 4.033 -10.264 1.00 0.00 H new ATOM 0 HA ARG A 7 121.031 1.762 -10.188 1.00 0.00 H new ATOM 0 HB2 ARG A 7 121.491 4.027 -8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 7 120.679 2.881 -7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 7 122.476 1.507 -7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 7 122.790 1.628 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 7 124.500 2.636 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 7 124.194 3.457 -8.904 1.00 0.00 H new ATOM 0 HE ARG A 7 122.342 4.389 -6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 7 125.721 4.566 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 7 125.972 6.161 -7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 7 122.670 6.440 -5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 7 124.251 7.219 -6.107 1.00 0.00 H new ATOM 124 N ARG A 8 119.357 0.522 -8.664 1.00 0.00 N ATOM 125 CA ARG A 8 118.240 -0.266 -8.155 1.00 0.00 C ATOM 126 C ARG A 8 118.332 -0.422 -6.640 1.00 0.00 C ATOM 127 O ARG A 8 117.320 -0.647 -5.973 1.00 0.00 O ATOM 128 CB ARG A 8 118.215 -1.644 -8.820 1.00 0.00 C ATOM 129 CG ARG A 8 118.681 -1.631 -10.266 1.00 0.00 C ATOM 130 CD ARG A 8 117.546 -1.966 -11.220 1.00 0.00 C ATOM 131 NE ARG A 8 116.628 -0.844 -11.395 1.00 0.00 N ATOM 132 CZ ARG A 8 115.583 -0.870 -12.215 1.00 0.00 C ATOM 133 NH1 ARG A 8 115.324 -1.956 -12.931 1.00 0.00 N ATOM 134 NH2 ARG A 8 114.794 0.191 -12.321 1.00 0.00 N ATOM 0 H ARG A 8 120.256 0.040 -8.646 1.00 0.00 H new ATOM 0 HA ARG A 8 117.317 0.261 -8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 8 118.847 -2.325 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 8 117.200 -2.040 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 8 119.085 -0.649 -10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 8 119.490 -2.350 -10.395 1.00 0.00 H new ATOM 0 HD2 ARG A 8 117.958 -2.251 -12.188 1.00 0.00 H new ATOM 0 HD3 ARG A 8 116.997 -2.828 -10.841 1.00 0.00 H new ATOM 0 HE ARG A 8 116.798 0.006 -10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 8 115.928 -2.774 -12.853 1.00 0.00 H new ATOM 0 HH12 ARG A 8 114.521 -1.973 -13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 8 114.989 1.029 -11.772 1.00 0.00 H new ATOM 0 HH22 ARG A 8 113.992 0.169 -12.951 1.00 0.00 H new ATOM 148 N ALA A 9 119.557 -0.296 -6.117 1.00 0.00 N ATOM 149 CA ALA A 9 119.825 -0.415 -4.682 1.00 0.00 C ATOM 150 C ALA A 9 118.556 -0.277 -3.852 1.00 0.00 C ATOM 151 O ALA A 9 118.108 -1.234 -3.220 1.00 0.00 O ATOM 152 CB ALA A 9 120.850 0.627 -4.256 1.00 0.00 C ATOM 0 H ALA A 9 120.389 -0.109 -6.677 1.00 0.00 H new ATOM 0 HA ALA A 9 120.225 -1.413 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.043 0.532 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 9 121.777 0.472 -4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.464 1.624 -4.467 1.00 0.00 H new ATOM 158 N ARG A 10 117.983 0.921 -3.863 1.00 0.00 N ATOM 159 CA ARG A 10 116.765 1.199 -3.110 1.00 0.00 C ATOM 160 C ARG A 10 115.866 -0.029 -3.026 1.00 0.00 C ATOM 161 O ARG A 10 115.749 -0.656 -1.972 1.00 0.00 O ATOM 162 CB ARG A 10 116.000 2.358 -3.755 1.00 0.00 C ATOM 163 CG ARG A 10 116.430 2.650 -5.183 1.00 0.00 C ATOM 164 CD ARG A 10 115.410 3.516 -5.905 1.00 0.00 C ATOM 165 NE ARG A 10 115.659 3.571 -7.343 1.00 0.00 N ATOM 166 CZ ARG A 10 115.230 4.554 -8.128 1.00 0.00 C ATOM 167 NH1 ARG A 10 114.533 5.558 -7.614 1.00 0.00 N ATOM 168 NH2 ARG A 10 115.496 4.533 -9.426 1.00 0.00 N ATOM 0 H ARG A 10 118.344 1.718 -4.387 1.00 0.00 H new ATOM 0 HA ARG A 10 117.057 1.474 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 10 114.934 2.129 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 10 116.139 3.255 -3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 10 117.397 3.153 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 10 116.561 1.713 -5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 10 114.409 3.124 -5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 10 115.435 4.525 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 10 116.192 2.813 -7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.326 5.576 -6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 10 114.204 6.312 -8.217 1.00 0.00 H new ATOM 0 HH21 ARG A 10 116.031 3.761 -9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 10 115.166 5.288 -10.027 1.00 0.00 H new ATOM 182 N GLU A 11 115.228 -0.366 -4.140 1.00 0.00 N ATOM 183 CA GLU A 11 114.328 -1.511 -4.190 1.00 0.00 C ATOM 184 C GLU A 11 115.064 -2.817 -3.908 1.00 0.00 C ATOM 185 O GLU A 11 114.516 -3.718 -3.286 1.00 0.00 O ATOM 186 CB GLU A 11 113.640 -1.583 -5.554 1.00 0.00 C ATOM 187 CG GLU A 11 114.609 -1.613 -6.724 1.00 0.00 C ATOM 188 CD GLU A 11 113.914 -1.447 -8.061 1.00 0.00 C ATOM 189 OE1 GLU A 11 112.718 -1.795 -8.156 1.00 0.00 O ATOM 190 OE2 GLU A 11 114.565 -0.969 -9.014 1.00 0.00 O ATOM 0 H GLU A 11 115.317 0.138 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 11 113.576 -1.375 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 11 113.014 -2.474 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 11 112.978 -0.724 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 11 115.346 -0.820 -6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 11 115.153 -2.557 -6.716 1.00 0.00 H new ATOM 197 N CYS A 12 116.302 -2.914 -4.373 1.00 0.00 N ATOM 198 CA CYS A 12 117.104 -4.119 -4.174 1.00 0.00 C ATOM 199 C CYS A 12 117.312 -4.418 -2.691 1.00 0.00 C ATOM 200 O CYS A 12 117.468 -5.574 -2.293 1.00 0.00 O ATOM 201 CB CYS A 12 118.458 -3.969 -4.867 1.00 0.00 C ATOM 202 SG CYS A 12 119.069 -5.489 -5.632 1.00 0.00 S ATOM 0 H CYS A 12 116.775 -2.174 -4.891 1.00 0.00 H new ATOM 0 HA CYS A 12 116.560 -4.955 -4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.379 -3.197 -5.632 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.191 -3.622 -4.138 1.00 0.00 H new ATOM 0 HG CYS A 12 119.276 -6.385 -4.713 1.00 0.00 H new ATOM 208 N ALA A 13 117.335 -3.366 -1.884 1.00 0.00 N ATOM 209 CA ALA A 13 117.561 -3.498 -0.450 1.00 0.00 C ATOM 210 C ALA A 13 116.513 -4.372 0.237 1.00 0.00 C ATOM 211 O ALA A 13 116.831 -5.097 1.180 1.00 0.00 O ATOM 212 CB ALA A 13 117.576 -2.118 0.179 1.00 0.00 C ATOM 0 H ALA A 13 117.199 -2.406 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 13 118.522 -3.993 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 13 117.745 -2.209 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 13 118.375 -1.524 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 13 116.619 -1.627 0.003 1.00 0.00 H new ATOM 218 N VAL A 14 115.272 -4.309 -0.227 1.00 0.00 N ATOM 219 CA VAL A 14 114.209 -5.105 0.380 1.00 0.00 C ATOM 220 C VAL A 14 114.541 -6.588 0.346 1.00 0.00 C ATOM 221 O VAL A 14 114.259 -7.319 1.296 1.00 0.00 O ATOM 222 CB VAL A 14 112.867 -4.895 -0.330 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.016 -5.176 -1.811 1.00 0.00 C ATOM 224 CG2 VAL A 14 111.797 -5.782 0.287 1.00 0.00 C ATOM 0 H VAL A 14 114.977 -3.725 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 14 114.128 -4.769 1.414 1.00 0.00 H new ATOM 0 HB VAL A 14 112.557 -3.857 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.058 -5.025 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 14 113.757 -4.499 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.341 -6.207 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.850 -5.621 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 14 112.090 -6.827 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 14 111.683 -5.534 1.342 1.00 0.00 H new ATOM 234 N GLN A 15 115.153 -7.029 -0.746 1.00 0.00 N ATOM 235 CA GLN A 15 115.528 -8.426 -0.888 1.00 0.00 C ATOM 236 C GLN A 15 116.416 -8.819 0.272 1.00 0.00 C ATOM 237 O GLN A 15 116.232 -9.867 0.892 1.00 0.00 O ATOM 238 CB GLN A 15 116.257 -8.654 -2.213 1.00 0.00 C ATOM 239 CG GLN A 15 115.442 -9.435 -3.228 1.00 0.00 C ATOM 240 CD GLN A 15 116.303 -10.309 -4.118 1.00 0.00 C ATOM 241 OE1 GLN A 15 116.502 -11.491 -3.842 1.00 0.00 O ATOM 242 NE2 GLN A 15 116.820 -9.727 -5.195 1.00 0.00 N ATOM 0 H GLN A 15 115.398 -6.440 -1.542 1.00 0.00 H new ATOM 0 HA GLN A 15 114.629 -9.042 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 15 116.526 -7.688 -2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 15 117.188 -9.187 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.717 -10.058 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 15 114.876 -8.739 -3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 15 116.628 -8.743 -5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 15 117.409 -10.264 -5.832 1.00 0.00 H new ATOM 251 N ALA A 16 117.358 -7.946 0.585 1.00 0.00 N ATOM 252 CA ALA A 16 118.258 -8.170 1.693 1.00 0.00 C ATOM 253 C ALA A 16 117.482 -8.089 2.995 1.00 0.00 C ATOM 254 O ALA A 16 117.747 -8.838 3.936 1.00 0.00 O ATOM 255 CB ALA A 16 119.375 -7.158 1.653 1.00 0.00 C ATOM 0 H ALA A 16 117.516 -7.073 0.082 1.00 0.00 H new ATOM 0 HA ALA A 16 118.702 -9.163 1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 16 120.052 -7.330 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 16 119.923 -7.258 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 16 118.958 -6.153 1.724 1.00 0.00 H new ATOM 261 N LEU A 17 116.489 -7.199 3.032 1.00 0.00 N ATOM 262 CA LEU A 17 115.652 -7.062 4.208 1.00 0.00 C ATOM 263 C LEU A 17 114.984 -8.397 4.481 1.00 0.00 C ATOM 264 O LEU A 17 114.774 -8.780 5.633 1.00 0.00 O ATOM 265 CB LEU A 17 114.597 -5.973 3.996 1.00 0.00 C ATOM 266 CG LEU A 17 114.513 -4.931 5.110 1.00 0.00 C ATOM 267 CD1 LEU A 17 114.416 -3.531 4.524 1.00 0.00 C ATOM 268 CD2 LEU A 17 113.325 -5.217 6.016 1.00 0.00 C ATOM 0 H LEU A 17 116.252 -6.571 2.264 1.00 0.00 H new ATOM 0 HA LEU A 17 116.264 -6.770 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.807 -5.462 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.622 -6.448 3.889 1.00 0.00 H new ATOM 0 HG LEU A 17 115.423 -4.989 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 17 114.357 -2.802 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 17 115.298 -3.329 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 17 113.523 -3.458 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 17 113.279 -4.466 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 17 112.406 -5.186 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 17 113.437 -6.205 6.463 1.00 0.00 H new ATOM 280 N TYR A 18 114.682 -9.121 3.404 1.00 0.00 N ATOM 281 CA TYR A 18 114.073 -10.438 3.525 1.00 0.00 C ATOM 282 C TYR A 18 115.060 -11.397 4.182 1.00 0.00 C ATOM 283 O TYR A 18 114.697 -12.195 5.046 1.00 0.00 O ATOM 284 CB TYR A 18 113.666 -10.967 2.147 1.00 0.00 C ATOM 285 CG TYR A 18 113.205 -12.407 2.157 1.00 0.00 C ATOM 286 CD1 TYR A 18 112.289 -12.857 3.099 1.00 0.00 C ATOM 287 CD2 TYR A 18 113.685 -13.316 1.223 1.00 0.00 C ATOM 288 CE1 TYR A 18 111.863 -14.172 3.110 1.00 0.00 C ATOM 289 CE2 TYR A 18 113.265 -14.633 1.227 1.00 0.00 C ATOM 290 CZ TYR A 18 112.355 -15.056 2.174 1.00 0.00 C ATOM 291 OH TYR A 18 111.934 -16.366 2.181 1.00 0.00 O ATOM 0 H TYR A 18 114.849 -8.817 2.445 1.00 0.00 H new ATOM 0 HA TYR A 18 113.178 -10.360 4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.866 -10.342 1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.512 -10.871 1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 18 111.903 -12.168 3.835 1.00 0.00 H new ATOM 0 HD2 TYR A 18 114.398 -12.988 0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 18 111.148 -14.505 3.848 1.00 0.00 H new ATOM 0 HE2 TYR A 18 113.647 -15.327 0.493 1.00 0.00 H new ATOM 0 HH TYR A 18 112.376 -16.855 1.456 1.00 0.00 H new ATOM 301 N SER A 19 116.321 -11.295 3.766 1.00 0.00 N ATOM 302 CA SER A 19 117.390 -12.128 4.307 1.00 0.00 C ATOM 303 C SER A 19 117.682 -11.758 5.758 1.00 0.00 C ATOM 304 O SER A 19 118.079 -12.603 6.561 1.00 0.00 O ATOM 305 CB SER A 19 118.658 -11.980 3.465 1.00 0.00 C ATOM 306 OG SER A 19 118.770 -13.031 2.520 1.00 0.00 O ATOM 0 H SER A 19 116.628 -10.637 3.049 1.00 0.00 H new ATOM 0 HA SER A 19 117.061 -13.167 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.644 -11.021 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.532 -11.978 4.116 1.00 0.00 H new ATOM 0 HG SER A 19 119.588 -12.912 1.994 1.00 0.00 H new ATOM 312 N TRP A 20 117.491 -10.483 6.081 1.00 0.00 N ATOM 313 CA TRP A 20 117.739 -9.980 7.428 1.00 0.00 C ATOM 314 C TRP A 20 116.876 -10.707 8.447 1.00 0.00 C ATOM 315 O TRP A 20 117.367 -11.181 9.472 1.00 0.00 O ATOM 316 CB TRP A 20 117.420 -8.487 7.478 1.00 0.00 C ATOM 317 CG TRP A 20 117.911 -7.803 8.716 1.00 0.00 C ATOM 318 CD1 TRP A 20 119.017 -8.121 9.450 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.306 -6.679 9.365 1.00 0.00 C ATOM 320 NE1 TRP A 20 119.138 -7.262 10.515 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.099 -6.366 10.485 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.171 -5.906 9.107 1.00 0.00 C ATOM 323 CZ2 TRP A 20 117.792 -5.313 11.345 1.00 0.00 C ATOM 324 CZ3 TRP A 20 115.867 -4.862 9.961 1.00 0.00 C ATOM 325 CH2 TRP A 20 116.675 -4.573 11.066 1.00 0.00 C ATOM 0 H TRP A 20 117.163 -9.775 5.424 1.00 0.00 H new ATOM 0 HA TRP A 20 118.787 -10.151 7.672 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.861 -8.002 6.607 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.341 -8.353 7.405 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.697 -8.929 9.226 1.00 0.00 H new ATOM 0 HE1 TRP A 20 119.880 -7.286 11.215 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.542 -6.120 8.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.413 -5.089 12.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 114.991 -4.259 9.772 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.412 -3.749 11.712 1.00 0.00 H new ATOM 336 N GLN A 21 115.587 -10.790 8.156 1.00 0.00 N ATOM 337 CA GLN A 21 114.647 -11.461 9.045 1.00 0.00 C ATOM 338 C GLN A 21 115.090 -12.895 9.323 1.00 0.00 C ATOM 339 O GLN A 21 115.080 -13.347 10.468 1.00 0.00 O ATOM 340 CB GLN A 21 113.244 -11.457 8.437 1.00 0.00 C ATOM 341 CG GLN A 21 112.132 -11.482 9.472 1.00 0.00 C ATOM 342 CD GLN A 21 111.181 -12.647 9.280 1.00 0.00 C ATOM 343 OE1 GLN A 21 110.716 -13.249 10.248 1.00 0.00 O ATOM 344 NE2 GLN A 21 110.891 -12.973 8.026 1.00 0.00 N ATOM 0 H GLN A 21 115.166 -10.402 7.312 1.00 0.00 H new ATOM 0 HA GLN A 21 114.627 -10.916 9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 21 113.130 -10.570 7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 21 113.139 -12.322 7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 21 112.570 -11.536 10.469 1.00 0.00 H new ATOM 0 HG3 GLN A 21 111.572 -10.548 9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 21 111.300 -12.446 7.254 1.00 0.00 H new ATOM 0 HE22 GLN A 21 110.259 -13.751 7.834 1.00 0.00 H new ATOM 353 N LEU A 22 115.475 -13.605 8.267 1.00 0.00 N ATOM 354 CA LEU A 22 115.918 -14.989 8.397 1.00 0.00 C ATOM 355 C LEU A 22 117.356 -15.069 8.909 1.00 0.00 C ATOM 356 O LEU A 22 117.650 -15.815 9.842 1.00 0.00 O ATOM 357 CB LEU A 22 115.805 -15.708 7.050 1.00 0.00 C ATOM 358 CG LEU A 22 114.497 -15.466 6.296 1.00 0.00 C ATOM 359 CD1 LEU A 22 114.724 -15.540 4.795 1.00 0.00 C ATOM 360 CD2 LEU A 22 113.441 -16.473 6.728 1.00 0.00 C ATOM 0 H LEU A 22 115.489 -13.245 7.313 1.00 0.00 H new ATOM 0 HA LEU A 22 115.271 -15.479 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 22 116.635 -15.394 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 22 115.918 -16.779 7.216 1.00 0.00 H new ATOM 0 HG LEU A 22 114.139 -14.465 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 22 113.782 -15.365 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 22 115.448 -14.781 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 22 115.105 -16.527 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 22 112.516 -16.287 6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 22 113.792 -17.483 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 22 113.258 -16.372 7.798 1.00 0.00 H new ATOM 372 N SER A 23 118.248 -14.305 8.286 1.00 0.00 N ATOM 373 CA SER A 23 119.655 -14.299 8.674 1.00 0.00 C ATOM 374 C SER A 23 119.846 -13.682 10.056 1.00 0.00 C ATOM 375 O SER A 23 120.525 -14.251 10.911 1.00 0.00 O ATOM 376 CB SER A 23 120.486 -13.532 7.644 1.00 0.00 C ATOM 377 OG SER A 23 120.158 -13.931 6.324 1.00 0.00 O ATOM 0 H SER A 23 118.022 -13.682 7.511 1.00 0.00 H new ATOM 0 HA SER A 23 119.994 -15.334 8.712 1.00 0.00 H new ATOM 0 HB2 SER A 23 120.313 -12.462 7.757 1.00 0.00 H new ATOM 0 HB3 SER A 23 121.547 -13.705 7.826 1.00 0.00 H new ATOM 0 HG SER A 23 119.281 -13.567 6.081 1.00 0.00 H new ATOM 383 N GLN A 24 119.242 -12.519 10.270 1.00 0.00 N ATOM 384 CA GLN A 24 119.345 -11.829 11.551 1.00 0.00 C ATOM 385 C GLN A 24 120.745 -11.253 11.757 1.00 0.00 C ATOM 386 O GLN A 24 121.072 -10.770 12.841 1.00 0.00 O ATOM 387 CB GLN A 24 119.003 -12.783 12.696 1.00 0.00 C ATOM 388 CG GLN A 24 117.715 -12.426 13.422 1.00 0.00 C ATOM 389 CD GLN A 24 117.092 -13.617 14.123 1.00 0.00 C ATOM 390 OE1 GLN A 24 117.679 -14.187 15.044 1.00 0.00 O ATOM 391 NE2 GLN A 24 115.897 -14.000 13.691 1.00 0.00 N ATOM 0 H GLN A 24 118.676 -12.034 9.574 1.00 0.00 H new ATOM 0 HA GLN A 24 118.632 -11.004 11.545 1.00 0.00 H new ATOM 0 HB2 GLN A 24 118.919 -13.796 12.301 1.00 0.00 H new ATOM 0 HB3 GLN A 24 119.825 -12.787 13.412 1.00 0.00 H new ATOM 0 HG2 GLN A 24 117.919 -11.644 14.154 1.00 0.00 H new ATOM 0 HG3 GLN A 24 117.001 -12.015 12.708 1.00 0.00 H new ATOM 0 HE21 GLN A 24 115.447 -13.499 12.925 1.00 0.00 H new ATOM 0 HE22 GLN A 24 115.429 -14.795 14.125 1.00 0.00 H new ATOM 400 N ASN A 25 121.567 -11.305 10.712 1.00 0.00 N ATOM 401 CA ASN A 25 122.929 -10.784 10.785 1.00 0.00 C ATOM 402 C ASN A 25 122.923 -9.319 11.213 1.00 0.00 C ATOM 403 O ASN A 25 121.982 -8.860 11.858 1.00 0.00 O ATOM 404 CB ASN A 25 123.628 -10.930 9.433 1.00 0.00 C ATOM 405 CG ASN A 25 123.277 -12.230 8.737 1.00 0.00 C ATOM 406 OD1 ASN A 25 122.961 -13.228 9.385 1.00 0.00 O ATOM 407 ND2 ASN A 25 123.332 -12.225 7.410 1.00 0.00 N ATOM 0 H ASN A 25 121.314 -11.702 9.807 1.00 0.00 H new ATOM 0 HA ASN A 25 123.475 -11.362 11.530 1.00 0.00 H new ATOM 0 HB2 ASN A 25 123.352 -10.092 8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 25 124.707 -10.879 9.578 1.00 0.00 H new ATOM 0 HD21 ASN A 25 123.107 -13.071 6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 25 123.599 -11.375 6.914 1.00 0.00 H new ATOM 414 N ASP A 26 123.974 -8.587 10.847 1.00 0.00 N ATOM 415 CA ASP A 26 124.071 -7.173 11.196 1.00 0.00 C ATOM 416 C ASP A 26 122.747 -6.467 10.914 1.00 0.00 C ATOM 417 O ASP A 26 121.815 -6.552 11.713 1.00 0.00 O ATOM 418 CB ASP A 26 125.210 -6.509 10.418 1.00 0.00 C ATOM 419 CG ASP A 26 126.573 -7.038 10.821 1.00 0.00 C ATOM 420 OD1 ASP A 26 127.005 -8.061 10.250 1.00 0.00 O ATOM 421 OD2 ASP A 26 127.206 -6.430 11.710 1.00 0.00 O ATOM 0 H ASP A 26 124.765 -8.947 10.313 1.00 0.00 H new ATOM 0 HA ASP A 26 124.288 -7.090 12.261 1.00 0.00 H new ATOM 0 HB2 ASP A 26 125.061 -6.673 9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 26 125.179 -5.432 10.582 1.00 0.00 H new ATOM 426 N ILE A 27 122.658 -5.788 9.770 1.00 0.00 N ATOM 427 CA ILE A 27 121.431 -5.095 9.389 1.00 0.00 C ATOM 428 C ILE A 27 121.699 -3.924 8.453 1.00 0.00 C ATOM 429 O ILE A 27 121.270 -3.931 7.299 1.00 0.00 O ATOM 430 CB ILE A 27 120.657 -4.570 10.614 1.00 0.00 C ATOM 431 CG1 ILE A 27 119.635 -3.517 10.181 1.00 0.00 C ATOM 432 CG2 ILE A 27 121.615 -3.988 11.642 1.00 0.00 C ATOM 433 CD1 ILE A 27 118.811 -3.932 8.980 1.00 0.00 C ATOM 0 H ILE A 27 123.418 -5.704 9.095 1.00 0.00 H new ATOM 0 HA ILE A 27 120.827 -5.840 8.871 1.00 0.00 H new ATOM 0 HB ILE A 27 120.127 -5.404 11.073 1.00 0.00 H new ATOM 0 HG12 ILE A 27 118.966 -3.307 11.015 1.00 0.00 H new ATOM 0 HG13 ILE A 27 120.157 -2.589 9.950 1.00 0.00 H new ATOM 0 HG21 ILE A 27 121.050 -3.622 12.500 1.00 0.00 H new ATOM 0 HG22 ILE A 27 122.311 -4.760 11.969 1.00 0.00 H new ATOM 0 HG23 ILE A 27 122.171 -3.164 11.196 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.108 -3.138 8.729 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.471 -4.114 8.132 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.261 -4.843 9.214 1.00 0.00 H new ATOM 445 N ALA A 28 122.392 -2.910 8.951 1.00 0.00 N ATOM 446 CA ALA A 28 122.685 -1.744 8.138 1.00 0.00 C ATOM 447 C ALA A 28 123.517 -2.134 6.924 1.00 0.00 C ATOM 448 O ALA A 28 123.156 -1.840 5.785 1.00 0.00 O ATOM 449 CB ALA A 28 123.411 -0.692 8.964 1.00 0.00 C ATOM 0 H ALA A 28 122.757 -2.872 9.903 1.00 0.00 H new ATOM 0 HA ALA A 28 121.743 -1.322 7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 28 123.624 0.177 8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 28 122.784 -0.391 9.803 1.00 0.00 H new ATOM 0 HB3 ALA A 28 124.346 -1.107 9.340 1.00 0.00 H new ATOM 455 N ASP A 29 124.633 -2.801 7.185 1.00 0.00 N ATOM 456 CA ASP A 29 125.532 -3.245 6.129 1.00 0.00 C ATOM 457 C ASP A 29 124.980 -4.449 5.364 1.00 0.00 C ATOM 458 O ASP A 29 125.186 -4.566 4.157 1.00 0.00 O ATOM 459 CB ASP A 29 126.900 -3.592 6.717 1.00 0.00 C ATOM 460 CG ASP A 29 126.873 -4.872 7.530 1.00 0.00 C ATOM 461 OD1 ASP A 29 125.888 -5.085 8.270 1.00 0.00 O ATOM 462 OD2 ASP A 29 127.836 -5.660 7.429 1.00 0.00 O ATOM 0 H ASP A 29 124.939 -3.048 8.126 1.00 0.00 H new ATOM 0 HA ASP A 29 125.629 -2.422 5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 29 127.624 -3.693 5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.240 -2.771 7.348 1.00 0.00 H new ATOM 467 N VAL A 30 124.320 -5.365 6.076 1.00 0.00 N ATOM 468 CA VAL A 30 123.796 -6.586 5.458 1.00 0.00 C ATOM 469 C VAL A 30 122.778 -6.330 4.357 1.00 0.00 C ATOM 470 O VAL A 30 122.904 -6.865 3.256 1.00 0.00 O ATOM 471 CB VAL A 30 123.128 -7.518 6.495 1.00 0.00 C ATOM 472 CG1 VAL A 30 121.846 -6.906 7.027 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.844 -8.881 5.875 1.00 0.00 C ATOM 0 H VAL A 30 124.136 -5.286 7.076 1.00 0.00 H new ATOM 0 HA VAL A 30 124.676 -7.058 5.022 1.00 0.00 H new ATOM 0 HB VAL A 30 123.817 -7.647 7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.395 -7.581 7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.069 -5.953 7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.151 -6.744 6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.374 -9.527 6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.176 -8.761 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.779 -9.331 5.542 1.00 0.00 H new ATOM 483 N GLU A 31 121.751 -5.547 4.651 1.00 0.00 N ATOM 484 CA GLU A 31 120.712 -5.296 3.693 1.00 0.00 C ATOM 485 C GLU A 31 121.267 -4.758 2.380 1.00 0.00 C ATOM 486 O GLU A 31 121.031 -5.318 1.312 1.00 0.00 O ATOM 487 CB GLU A 31 119.725 -4.307 4.287 1.00 0.00 C ATOM 488 CG GLU A 31 118.761 -3.768 3.265 1.00 0.00 C ATOM 489 CD GLU A 31 117.321 -4.126 3.569 1.00 0.00 C ATOM 490 OE1 GLU A 31 117.097 -4.955 4.475 1.00 0.00 O ATOM 491 OE2 GLU A 31 116.418 -3.578 2.903 1.00 0.00 O ATOM 0 H GLU A 31 121.625 -5.079 5.549 1.00 0.00 H new ATOM 0 HA GLU A 31 120.214 -6.239 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.167 -4.793 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.272 -3.479 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 31 118.858 -2.683 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 31 119.027 -4.156 2.282 1.00 0.00 H new ATOM 498 N TYR A 32 122.002 -3.675 2.461 1.00 0.00 N ATOM 499 CA TYR A 32 122.582 -3.072 1.279 1.00 0.00 C ATOM 500 C TYR A 32 123.713 -3.922 0.708 1.00 0.00 C ATOM 501 O TYR A 32 124.046 -3.807 -0.463 1.00 0.00 O ATOM 502 CB TYR A 32 123.023 -1.645 1.571 1.00 0.00 C ATOM 503 CG TYR A 32 121.885 -0.654 1.422 1.00 0.00 C ATOM 504 CD1 TYR A 32 120.995 -0.759 0.361 1.00 0.00 C ATOM 505 CD2 TYR A 32 121.691 0.374 2.338 1.00 0.00 C ATOM 506 CE1 TYR A 32 119.949 0.131 0.216 1.00 0.00 C ATOM 507 CE2 TYR A 32 120.643 1.266 2.196 1.00 0.00 C ATOM 508 CZ TYR A 32 119.778 1.141 1.135 1.00 0.00 C ATOM 509 OH TYR A 32 118.736 2.027 0.991 1.00 0.00 O ATOM 0 H TYR A 32 122.214 -3.191 3.333 1.00 0.00 H new ATOM 0 HA TYR A 32 121.814 -3.028 0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 32 123.421 -1.589 2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 32 123.833 -1.371 0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 32 121.123 -1.550 -0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 32 122.368 0.478 3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 32 119.267 0.035 -0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 32 120.505 2.058 2.917 1.00 0.00 H new ATOM 0 HH TYR A 32 118.731 2.381 0.077 1.00 0.00 H new ATOM 519 N GLN A 33 124.311 -4.764 1.543 1.00 0.00 N ATOM 520 CA GLN A 33 125.412 -5.623 1.108 1.00 0.00 C ATOM 521 C GLN A 33 124.958 -6.637 0.055 1.00 0.00 C ATOM 522 O GLN A 33 125.761 -7.115 -0.747 1.00 0.00 O ATOM 523 CB GLN A 33 126.016 -6.360 2.303 1.00 0.00 C ATOM 524 CG GLN A 33 127.322 -5.758 2.794 1.00 0.00 C ATOM 525 CD GLN A 33 128.380 -6.809 3.068 1.00 0.00 C ATOM 526 OE1 GLN A 33 128.223 -7.974 2.704 1.00 0.00 O ATOM 527 NE2 GLN A 33 129.467 -6.401 3.714 1.00 0.00 N ATOM 0 H GLN A 33 124.054 -4.872 2.524 1.00 0.00 H new ATOM 0 HA GLN A 33 126.167 -4.980 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 33 125.296 -6.360 3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.186 -7.401 2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 33 127.697 -5.055 2.050 1.00 0.00 H new ATOM 0 HG3 GLN A 33 127.136 -5.189 3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 33 129.556 -5.425 3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 33 130.213 -7.064 3.927 1.00 0.00 H new ATOM 536 N PHE A 34 123.679 -6.993 0.096 1.00 0.00 N ATOM 537 CA PHE A 34 123.116 -7.990 -0.817 1.00 0.00 C ATOM 538 C PHE A 34 123.342 -7.660 -2.294 1.00 0.00 C ATOM 539 O PHE A 34 123.810 -8.510 -3.051 1.00 0.00 O ATOM 540 CB PHE A 34 121.619 -8.134 -0.540 1.00 0.00 C ATOM 541 CG PHE A 34 120.863 -8.843 -1.626 1.00 0.00 C ATOM 542 CD1 PHE A 34 120.678 -8.239 -2.855 1.00 0.00 C ATOM 543 CD2 PHE A 34 120.336 -10.107 -1.418 1.00 0.00 C ATOM 544 CE1 PHE A 34 119.981 -8.878 -3.862 1.00 0.00 C ATOM 545 CE2 PHE A 34 119.637 -10.754 -2.419 1.00 0.00 C ATOM 546 CZ PHE A 34 119.460 -10.139 -3.644 1.00 0.00 C ATOM 0 H PHE A 34 123.005 -6.604 0.756 1.00 0.00 H new ATOM 0 HA PHE A 34 123.638 -8.928 -0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 34 121.484 -8.676 0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 34 121.189 -7.142 -0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 34 121.084 -7.254 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 34 120.473 -10.592 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 34 119.844 -8.393 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 34 119.230 -11.739 -2.244 1.00 0.00 H new ATOM 0 HZ PHE A 34 118.916 -10.643 -4.429 1.00 0.00 H new ATOM 556 N LEU A 35 122.990 -6.453 -2.717 1.00 0.00 N ATOM 557 CA LEU A 35 123.149 -6.078 -4.124 1.00 0.00 C ATOM 558 C LEU A 35 124.615 -5.839 -4.490 1.00 0.00 C ATOM 559 O LEU A 35 124.968 -5.821 -5.670 1.00 0.00 O ATOM 560 CB LEU A 35 122.276 -4.866 -4.497 1.00 0.00 C ATOM 561 CG LEU A 35 122.471 -3.600 -3.663 1.00 0.00 C ATOM 562 CD1 LEU A 35 121.357 -3.454 -2.638 1.00 0.00 C ATOM 563 CD2 LEU A 35 123.816 -3.624 -2.978 1.00 0.00 C ATOM 0 H LEU A 35 122.598 -5.724 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 35 122.801 -6.925 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 35 122.465 -4.618 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 35 121.230 -5.164 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 35 122.435 -2.740 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 35 121.515 -2.547 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 35 120.397 -3.393 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 35 121.359 -4.317 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 35 123.940 -2.716 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 35 123.875 -4.493 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 35 124.605 -3.680 -3.728 1.00 0.00 H new ATOM 575 N ALA A 36 125.465 -5.658 -3.483 1.00 0.00 N ATOM 576 CA ALA A 36 126.885 -5.423 -3.719 1.00 0.00 C ATOM 577 C ALA A 36 127.608 -6.725 -4.045 1.00 0.00 C ATOM 578 O ALA A 36 128.737 -6.715 -4.535 1.00 0.00 O ATOM 579 CB ALA A 36 127.517 -4.754 -2.508 1.00 0.00 C ATOM 0 H ALA A 36 125.196 -5.670 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 36 126.982 -4.759 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 36 128.577 -4.584 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 36 127.025 -3.800 -2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 36 127.403 -5.398 -1.636 1.00 0.00 H new ATOM 585 N GLU A 37 126.951 -7.847 -3.767 1.00 0.00 N ATOM 586 CA GLU A 37 127.531 -9.158 -4.031 1.00 0.00 C ATOM 587 C GLU A 37 126.984 -9.744 -5.330 1.00 0.00 C ATOM 588 O GLU A 37 126.054 -9.200 -5.924 1.00 0.00 O ATOM 589 CB GLU A 37 127.241 -10.110 -2.869 1.00 0.00 C ATOM 590 CG GLU A 37 127.434 -9.475 -1.501 1.00 0.00 C ATOM 591 CD GLU A 37 128.495 -10.177 -0.677 1.00 0.00 C ATOM 592 OE1 GLU A 37 129.695 -9.938 -0.928 1.00 0.00 O ATOM 593 OE2 GLU A 37 128.126 -10.964 0.219 1.00 0.00 O ATOM 0 H GLU A 37 126.017 -7.874 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 37 128.609 -9.036 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 37 126.216 -10.470 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 37 127.892 -10.980 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 37 127.710 -8.428 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 37 126.488 -9.493 -0.960 1.00 0.00 H new ATOM 600 N GLN A 38 127.570 -10.855 -5.763 1.00 0.00 N ATOM 601 CA GLN A 38 127.141 -11.515 -6.992 1.00 0.00 C ATOM 602 C GLN A 38 127.010 -10.510 -8.132 1.00 0.00 C ATOM 603 O GLN A 38 126.257 -10.729 -9.081 1.00 0.00 O ATOM 604 CB GLN A 38 125.807 -12.231 -6.772 1.00 0.00 C ATOM 605 CG GLN A 38 125.643 -12.792 -5.369 1.00 0.00 C ATOM 606 CD GLN A 38 124.277 -13.415 -5.147 1.00 0.00 C ATOM 607 OE1 GLN A 38 124.127 -14.635 -5.179 1.00 0.00 O ATOM 608 NE2 GLN A 38 123.275 -12.574 -4.918 1.00 0.00 N ATOM 0 H GLN A 38 128.342 -11.317 -5.283 1.00 0.00 H new ATOM 0 HA GLN A 38 127.899 -12.249 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 38 124.993 -11.535 -6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 38 125.717 -13.044 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 38 126.414 -13.541 -5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 38 125.797 -11.994 -4.642 1.00 0.00 H new ATOM 0 HE21 GLN A 38 123.447 -11.569 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 38 122.334 -12.933 -4.759 1.00 0.00 H new ATOM 617 N ASP A 39 127.750 -9.411 -8.033 1.00 0.00 N ATOM 618 CA ASP A 39 127.716 -8.372 -9.057 1.00 0.00 C ATOM 619 C ASP A 39 126.303 -8.185 -9.598 1.00 0.00 C ATOM 620 O ASP A 39 125.926 -8.789 -10.602 1.00 0.00 O ATOM 621 CB ASP A 39 128.669 -8.725 -10.200 1.00 0.00 C ATOM 622 CG ASP A 39 129.988 -9.284 -9.703 1.00 0.00 C ATOM 623 OD1 ASP A 39 130.546 -8.721 -8.739 1.00 0.00 O ATOM 624 OD2 ASP A 39 130.463 -10.286 -10.278 1.00 0.00 O ATOM 0 H ASP A 39 128.380 -9.216 -7.255 1.00 0.00 H new ATOM 0 HA ASP A 39 128.036 -7.436 -8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 39 128.192 -9.455 -10.854 1.00 0.00 H new ATOM 0 HB3 ASP A 39 128.858 -7.835 -10.800 1.00 0.00 H new ATOM 629 N VAL A 40 125.524 -7.344 -8.924 1.00 0.00 N ATOM 630 CA VAL A 40 124.152 -7.077 -9.337 1.00 0.00 C ATOM 631 C VAL A 40 124.112 -6.368 -10.685 1.00 0.00 C ATOM 632 O VAL A 40 123.449 -6.821 -11.618 1.00 0.00 O ATOM 633 CB VAL A 40 123.409 -6.219 -8.296 1.00 0.00 C ATOM 634 CG1 VAL A 40 122.709 -5.048 -8.969 1.00 0.00 C ATOM 635 CG2 VAL A 40 122.416 -7.066 -7.515 1.00 0.00 C ATOM 0 H VAL A 40 125.820 -6.837 -8.090 1.00 0.00 H new ATOM 0 HA VAL A 40 123.654 -8.043 -9.423 1.00 0.00 H new ATOM 0 HB VAL A 40 124.141 -5.819 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.190 -4.454 -8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.446 -4.427 -9.477 1.00 0.00 H new ATOM 0 HG13 VAL A 40 121.989 -5.424 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.901 -6.442 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.687 -7.498 -8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.947 -7.866 -6.999 1.00 0.00 H new ATOM 645 N LYS A 41 124.827 -5.251 -10.783 1.00 0.00 N ATOM 646 CA LYS A 41 124.873 -4.479 -12.018 1.00 0.00 C ATOM 647 C LYS A 41 126.252 -3.858 -12.219 1.00 0.00 C ATOM 648 O LYS A 41 126.421 -2.947 -13.030 1.00 0.00 O ATOM 649 CB LYS A 41 123.806 -3.383 -12.000 1.00 0.00 C ATOM 650 CG LYS A 41 123.208 -3.095 -13.367 1.00 0.00 C ATOM 651 CD LYS A 41 121.859 -3.774 -13.539 1.00 0.00 C ATOM 652 CE LYS A 41 121.979 -5.052 -14.355 1.00 0.00 C ATOM 653 NZ LYS A 41 121.263 -6.189 -13.713 1.00 0.00 N ATOM 0 H LYS A 41 125.382 -4.861 -10.021 1.00 0.00 H new ATOM 0 HA LYS A 41 124.674 -5.157 -12.848 1.00 0.00 H new ATOM 0 HB2 LYS A 41 123.008 -3.675 -11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 41 124.244 -2.467 -11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 41 123.094 -2.019 -13.496 1.00 0.00 H new ATOM 0 HG3 LYS A 41 123.891 -3.438 -14.144 1.00 0.00 H new ATOM 0 HD2 LYS A 41 121.439 -4.004 -12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 41 121.166 -3.091 -14.031 1.00 0.00 H new ATOM 0 HE2 LYS A 41 121.574 -4.885 -15.353 1.00 0.00 H new ATOM 0 HE3 LYS A 41 123.032 -5.308 -14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 121.103 -6.939 -14.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 121.837 -6.563 -12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 120.348 -5.859 -13.344 1.00 0.00 H new ATOM 667 N ASP A 42 127.234 -4.357 -11.476 1.00 0.00 N ATOM 668 CA ASP A 42 128.599 -3.851 -11.575 1.00 0.00 C ATOM 669 C ASP A 42 128.775 -2.595 -10.728 1.00 0.00 C ATOM 670 O ASP A 42 129.654 -1.774 -10.993 1.00 0.00 O ATOM 671 CB ASP A 42 128.951 -3.552 -13.033 1.00 0.00 C ATOM 672 CG ASP A 42 130.384 -3.916 -13.368 1.00 0.00 C ATOM 673 OD1 ASP A 42 131.176 -4.134 -12.428 1.00 0.00 O ATOM 674 OD2 ASP A 42 130.714 -3.981 -14.571 1.00 0.00 O ATOM 0 H ASP A 42 127.111 -5.110 -10.799 1.00 0.00 H new ATOM 0 HA ASP A 42 129.273 -4.620 -11.198 1.00 0.00 H new ATOM 0 HB2 ASP A 42 128.276 -4.104 -13.687 1.00 0.00 H new ATOM 0 HB3 ASP A 42 128.792 -2.492 -13.232 1.00 0.00 H new ATOM 679 N VAL A 43 127.935 -2.452 -9.709 1.00 0.00 N ATOM 680 CA VAL A 43 127.998 -1.295 -8.823 1.00 0.00 C ATOM 681 C VAL A 43 128.454 -1.697 -7.426 1.00 0.00 C ATOM 682 O VAL A 43 128.464 -2.879 -7.080 1.00 0.00 O ATOM 683 CB VAL A 43 126.632 -0.591 -8.722 1.00 0.00 C ATOM 684 CG1 VAL A 43 126.244 0.018 -10.061 1.00 0.00 C ATOM 685 CG2 VAL A 43 125.565 -1.561 -8.240 1.00 0.00 C ATOM 0 H VAL A 43 127.203 -3.122 -9.476 1.00 0.00 H new ATOM 0 HA VAL A 43 128.723 -0.605 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 43 126.713 0.215 -7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 43 125.276 0.511 -9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 43 126.996 0.748 -10.360 1.00 0.00 H new ATOM 0 HG13 VAL A 43 126.181 -0.768 -10.814 1.00 0.00 H new ATOM 0 HG21 VAL A 43 124.607 -1.045 -8.175 1.00 0.00 H new ATOM 0 HG22 VAL A 43 125.484 -2.391 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 43 125.839 -1.944 -7.257 1.00 0.00 H new ATOM 695 N ASP A 44 128.832 -0.708 -6.623 1.00 0.00 N ATOM 696 CA ASP A 44 129.289 -0.958 -5.261 1.00 0.00 C ATOM 697 C ASP A 44 128.197 -0.628 -4.251 1.00 0.00 C ATOM 698 O ASP A 44 127.983 -1.367 -3.289 1.00 0.00 O ATOM 699 CB ASP A 44 130.544 -0.135 -4.963 1.00 0.00 C ATOM 700 CG ASP A 44 130.575 1.170 -5.733 1.00 0.00 C ATOM 701 OD1 ASP A 44 129.819 2.094 -5.366 1.00 0.00 O ATOM 702 OD2 ASP A 44 131.357 1.270 -6.702 1.00 0.00 O ATOM 0 H ASP A 44 128.831 0.276 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 44 129.529 -2.018 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 44 130.592 0.075 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 44 131.428 -0.722 -5.212 1.00 0.00 H new ATOM 707 N VAL A 45 127.507 0.486 -4.474 1.00 0.00 N ATOM 708 CA VAL A 45 126.436 0.914 -3.584 1.00 0.00 C ATOM 709 C VAL A 45 126.913 0.977 -2.139 1.00 0.00 C ATOM 710 O VAL A 45 126.105 0.969 -1.210 1.00 0.00 O ATOM 711 CB VAL A 45 125.234 -0.036 -3.654 1.00 0.00 C ATOM 712 CG1 VAL A 45 123.939 0.746 -3.808 1.00 0.00 C ATOM 713 CG2 VAL A 45 125.405 -1.035 -4.789 1.00 0.00 C ATOM 0 H VAL A 45 127.672 1.109 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 45 126.135 1.907 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 45 125.182 -0.593 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 45 123.099 0.053 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 45 123.812 1.412 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 45 123.976 1.335 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 45 124.542 -1.700 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 45 125.487 -0.500 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 45 126.309 -1.622 -4.624 1.00 0.00 H new ATOM 723 N LEU A 46 128.224 1.039 -1.955 1.00 0.00 N ATOM 724 CA LEU A 46 128.796 1.099 -0.617 1.00 0.00 C ATOM 725 C LEU A 46 128.209 2.272 0.155 1.00 0.00 C ATOM 726 O LEU A 46 127.841 2.139 1.321 1.00 0.00 O ATOM 727 CB LEU A 46 130.319 1.227 -0.692 1.00 0.00 C ATOM 728 CG LEU A 46 130.858 2.647 -0.519 1.00 0.00 C ATOM 729 CD1 LEU A 46 130.824 3.057 0.945 1.00 0.00 C ATOM 730 CD2 LEU A 46 132.271 2.750 -1.072 1.00 0.00 C ATOM 0 H LEU A 46 128.909 1.049 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 46 128.550 0.175 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 46 130.760 0.591 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 46 130.654 0.842 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 46 130.219 3.329 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 46 131.211 4.071 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 46 129.797 3.022 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 46 131.439 2.372 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 46 132.640 3.767 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 46 132.922 2.057 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 46 132.266 2.500 -2.133 1.00 0.00 H new ATOM 742 N TYR A 47 128.103 3.415 -0.511 1.00 0.00 N ATOM 743 CA TYR A 47 127.538 4.601 0.112 1.00 0.00 C ATOM 744 C TYR A 47 126.080 4.352 0.482 1.00 0.00 C ATOM 745 O TYR A 47 125.609 4.791 1.532 1.00 0.00 O ATOM 746 CB TYR A 47 127.643 5.802 -0.829 1.00 0.00 C ATOM 747 CG TYR A 47 129.034 6.389 -0.911 1.00 0.00 C ATOM 748 CD1 TYR A 47 129.495 7.272 0.058 1.00 0.00 C ATOM 749 CD2 TYR A 47 129.887 6.060 -1.957 1.00 0.00 C ATOM 750 CE1 TYR A 47 130.766 7.810 -0.014 1.00 0.00 C ATOM 751 CE2 TYR A 47 131.159 6.593 -2.036 1.00 0.00 C ATOM 752 CZ TYR A 47 131.593 7.468 -1.062 1.00 0.00 C ATOM 753 OH TYR A 47 132.860 8.001 -1.137 1.00 0.00 O ATOM 0 H TYR A 47 128.400 3.544 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 47 128.103 4.820 1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 47 127.326 5.499 -1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.951 6.575 -0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 47 128.850 7.542 0.881 1.00 0.00 H new ATOM 0 HD2 TYR A 47 129.550 5.376 -2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 47 131.109 8.495 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 47 131.810 6.326 -2.856 1.00 0.00 H new ATOM 0 HH TYR A 47 133.313 7.657 -1.935 1.00 0.00 H new ATOM 763 N PHE A 48 125.375 3.627 -0.384 1.00 0.00 N ATOM 764 CA PHE A 48 123.975 3.305 -0.147 1.00 0.00 C ATOM 765 C PHE A 48 123.822 2.506 1.139 1.00 0.00 C ATOM 766 O PHE A 48 122.807 2.606 1.826 1.00 0.00 O ATOM 767 CB PHE A 48 123.378 2.522 -1.323 1.00 0.00 C ATOM 768 CG PHE A 48 121.938 2.864 -1.586 1.00 0.00 C ATOM 769 CD1 PHE A 48 121.548 4.187 -1.724 1.00 0.00 C ATOM 770 CD2 PHE A 48 120.970 1.871 -1.684 1.00 0.00 C ATOM 771 CE1 PHE A 48 120.226 4.515 -1.954 1.00 0.00 C ATOM 772 CE2 PHE A 48 119.649 2.197 -1.914 1.00 0.00 C ATOM 773 CZ PHE A 48 119.275 3.520 -2.047 1.00 0.00 C ATOM 0 H PHE A 48 125.752 3.253 -1.255 1.00 0.00 H new ATOM 0 HA PHE A 48 123.431 4.244 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 48 123.963 2.723 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.461 1.454 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 48 122.287 4.971 -1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.255 0.834 -1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 48 119.937 5.550 -2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 48 118.906 1.417 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 48 118.240 3.775 -2.223 1.00 0.00 H new ATOM 783 N ARG A 49 124.836 1.704 1.452 1.00 0.00 N ATOM 784 CA ARG A 49 124.808 0.870 2.647 1.00 0.00 C ATOM 785 C ARG A 49 124.558 1.698 3.906 1.00 0.00 C ATOM 786 O ARG A 49 123.824 1.272 4.800 1.00 0.00 O ATOM 787 CB ARG A 49 126.121 0.095 2.785 1.00 0.00 C ATOM 788 CG ARG A 49 126.502 -0.683 1.533 1.00 0.00 C ATOM 789 CD ARG A 49 126.264 -2.177 1.701 1.00 0.00 C ATOM 790 NE ARG A 49 127.494 -2.947 1.537 1.00 0.00 N ATOM 791 CZ ARG A 49 128.505 -2.912 2.399 1.00 0.00 C ATOM 792 NH1 ARG A 49 128.432 -2.149 3.481 1.00 0.00 N ATOM 793 NH2 ARG A 49 129.592 -3.640 2.180 1.00 0.00 N ATOM 0 H ARG A 49 125.686 1.615 0.895 1.00 0.00 H new ATOM 0 HA ARG A 49 123.983 0.166 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 49 126.922 0.793 3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 49 126.038 -0.598 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 49 125.922 -0.316 0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 49 127.552 -0.506 1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 49 125.845 -2.369 2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 49 125.527 -2.511 0.971 1.00 0.00 H new ATOM 0 HE ARG A 49 127.582 -3.545 0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 49 127.598 -1.587 3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 49 129.209 -2.124 4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 49 129.653 -4.228 1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 49 130.367 -3.612 2.843 1.00 0.00 H new ATOM 807 N GLU A 50 125.159 2.879 3.975 1.00 0.00 N ATOM 808 CA GLU A 50 124.990 3.749 5.134 1.00 0.00 C ATOM 809 C GLU A 50 123.521 4.103 5.353 1.00 0.00 C ATOM 810 O GLU A 50 123.083 4.303 6.487 1.00 0.00 O ATOM 811 CB GLU A 50 125.812 5.028 4.960 1.00 0.00 C ATOM 812 CG GLU A 50 127.193 4.954 5.589 1.00 0.00 C ATOM 813 CD GLU A 50 127.172 5.236 7.079 1.00 0.00 C ATOM 814 OE1 GLU A 50 126.804 4.326 7.851 1.00 0.00 O ATOM 815 OE2 GLU A 50 127.522 6.369 7.473 1.00 0.00 O ATOM 0 H GLU A 50 125.765 3.256 3.246 1.00 0.00 H new ATOM 0 HA GLU A 50 125.345 3.208 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 50 125.917 5.240 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.266 5.863 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 50 127.614 3.963 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.851 5.670 5.097 1.00 0.00 H new ATOM 822 N LEU A 51 122.767 4.184 4.264 1.00 0.00 N ATOM 823 CA LEU A 51 121.349 4.526 4.334 1.00 0.00 C ATOM 824 C LEU A 51 120.564 3.534 5.192 1.00 0.00 C ATOM 825 O LEU A 51 119.685 3.928 5.959 1.00 0.00 O ATOM 826 CB LEU A 51 120.750 4.579 2.927 1.00 0.00 C ATOM 827 CG LEU A 51 120.179 5.937 2.517 1.00 0.00 C ATOM 828 CD1 LEU A 51 119.339 5.804 1.256 1.00 0.00 C ATOM 829 CD2 LEU A 51 119.354 6.532 3.649 1.00 0.00 C ATOM 0 H LEU A 51 123.113 4.017 3.319 1.00 0.00 H new ATOM 0 HA LEU A 51 121.273 5.507 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.520 4.294 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 51 119.958 3.833 2.857 1.00 0.00 H new ATOM 0 HG LEU A 51 121.010 6.611 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 51 118.941 6.780 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 51 119.959 5.422 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 51 118.515 5.115 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 51 118.955 7.498 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.530 5.860 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 51 119.985 6.664 4.528 1.00 0.00 H new ATOM 841 N LEU A 52 120.873 2.248 5.054 1.00 0.00 N ATOM 842 CA LEU A 52 120.181 1.214 5.810 1.00 0.00 C ATOM 843 C LEU A 52 120.359 1.407 7.311 1.00 0.00 C ATOM 844 O LEU A 52 119.485 1.047 8.098 1.00 0.00 O ATOM 845 CB LEU A 52 120.694 -0.162 5.403 1.00 0.00 C ATOM 846 CG LEU A 52 119.659 -1.105 4.788 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.016 -1.967 5.863 1.00 0.00 C ATOM 848 CD2 LEU A 52 118.591 -0.342 4.019 1.00 0.00 C ATOM 0 H LEU A 52 121.597 1.899 4.426 1.00 0.00 H new ATOM 0 HA LEU A 52 119.118 1.290 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 52 121.506 -0.029 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 52 121.120 -0.645 6.283 1.00 0.00 H new ATOM 0 HG LEU A 52 120.183 -1.750 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.282 -2.631 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 52 119.783 -2.561 6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.521 -1.328 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 52 117.874 -1.046 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.075 0.341 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.058 0.226 3.215 1.00 0.00 H new ATOM 860 N ALA A 53 121.497 1.968 7.704 1.00 0.00 N ATOM 861 CA ALA A 53 121.776 2.191 9.115 1.00 0.00 C ATOM 862 C ALA A 53 120.690 3.047 9.754 1.00 0.00 C ATOM 863 O ALA A 53 120.293 2.812 10.895 1.00 0.00 O ATOM 864 CB ALA A 53 123.138 2.847 9.287 1.00 0.00 C ATOM 0 H ALA A 53 122.235 2.274 7.070 1.00 0.00 H new ATOM 0 HA ALA A 53 121.787 1.224 9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.333 3.008 10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.909 2.199 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.149 3.805 8.767 1.00 0.00 H new ATOM 870 N GLY A 54 120.201 4.031 9.007 1.00 0.00 N ATOM 871 CA GLY A 54 119.159 4.896 9.524 1.00 0.00 C ATOM 872 C GLY A 54 117.912 4.124 9.898 1.00 0.00 C ATOM 873 O GLY A 54 117.266 4.424 10.903 1.00 0.00 O ATOM 0 H GLY A 54 120.506 4.244 8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.531 5.428 10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.909 5.648 8.776 1.00 0.00 H new ATOM 877 N VAL A 55 117.585 3.114 9.102 1.00 0.00 N ATOM 878 CA VAL A 55 116.419 2.285 9.364 1.00 0.00 C ATOM 879 C VAL A 55 116.636 1.459 10.622 1.00 0.00 C ATOM 880 O VAL A 55 115.703 1.192 11.378 1.00 0.00 O ATOM 881 CB VAL A 55 116.119 1.340 8.185 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.763 0.674 8.366 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.178 2.097 6.867 1.00 0.00 C ATOM 0 H VAL A 55 118.112 2.850 8.270 1.00 0.00 H new ATOM 0 HA VAL A 55 115.567 2.952 9.498 1.00 0.00 H new ATOM 0 HB VAL A 55 116.880 0.560 8.164 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.568 0.010 7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.762 0.097 9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 55 113.986 1.437 8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 55 115.964 1.414 6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.440 2.899 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.173 2.522 6.736 1.00 0.00 H new ATOM 893 N ALA A 56 117.883 1.062 10.832 1.00 0.00 N ATOM 894 CA ALA A 56 118.255 0.266 11.989 1.00 0.00 C ATOM 895 C ALA A 56 118.191 1.092 13.269 1.00 0.00 C ATOM 896 O ALA A 56 118.095 0.546 14.368 1.00 0.00 O ATOM 897 CB ALA A 56 119.646 -0.306 11.786 1.00 0.00 C ATOM 0 H ALA A 56 118.660 1.282 10.208 1.00 0.00 H new ATOM 0 HA ALA A 56 117.544 -0.553 12.093 1.00 0.00 H new ATOM 0 HB1 ALA A 56 119.924 -0.903 12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.654 -0.935 10.896 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.360 0.508 11.662 1.00 0.00 H new ATOM 903 N THR A 57 118.245 2.413 13.119 1.00 0.00 N ATOM 904 CA THR A 57 118.192 3.314 14.264 1.00 0.00 C ATOM 905 C THR A 57 116.939 4.182 14.215 1.00 0.00 C ATOM 906 O THR A 57 116.614 4.873 15.180 1.00 0.00 O ATOM 907 CB THR A 57 119.439 4.198 14.301 1.00 0.00 C ATOM 908 OG1 THR A 57 119.173 5.464 13.723 1.00 0.00 O ATOM 909 CG2 THR A 57 120.620 3.599 13.567 1.00 0.00 C ATOM 0 H THR A 57 118.325 2.882 12.217 1.00 0.00 H new ATOM 0 HA THR A 57 118.157 2.709 15.170 1.00 0.00 H new ATOM 0 HB THR A 57 119.696 4.290 15.356 1.00 0.00 H new ATOM 0 HG1 THR A 57 119.982 6.016 13.757 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.471 4.277 13.632 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.883 2.643 14.019 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.358 3.445 12.520 1.00 0.00 H new ATOM 917 N ASN A 58 116.242 4.142 13.085 1.00 0.00 N ATOM 918 CA ASN A 58 115.026 4.925 12.910 1.00 0.00 C ATOM 919 C ASN A 58 113.937 4.094 12.239 1.00 0.00 C ATOM 920 O ASN A 58 113.191 4.595 11.398 1.00 0.00 O ATOM 921 CB ASN A 58 115.315 6.175 12.078 1.00 0.00 C ATOM 922 CG ASN A 58 114.962 7.454 12.814 1.00 0.00 C ATOM 923 OD1 ASN A 58 114.927 7.486 14.044 1.00 0.00 O ATOM 924 ND2 ASN A 58 114.700 8.516 12.062 1.00 0.00 N ATOM 0 H ASN A 58 116.499 3.575 12.277 1.00 0.00 H new ATOM 0 HA ASN A 58 114.673 5.227 13.896 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.371 6.193 11.810 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.750 6.127 11.147 1.00 0.00 H new ATOM 0 HD21 ASN A 58 114.458 9.404 12.501 1.00 0.00 H new ATOM 0 HD22 ASN A 58 114.741 8.444 11.045 1.00 0.00 H new ATOM 931 N THR A 59 113.848 2.823 12.618 1.00 0.00 N ATOM 932 CA THR A 59 112.843 1.931 12.050 1.00 0.00 C ATOM 933 C THR A 59 111.441 2.405 12.416 1.00 0.00 C ATOM 934 O THR A 59 110.565 2.511 11.557 1.00 0.00 O ATOM 935 CB THR A 59 113.055 0.497 12.544 1.00 0.00 C ATOM 936 OG1 THR A 59 114.177 0.420 13.405 1.00 0.00 O ATOM 937 CG2 THR A 59 113.269 -0.496 11.423 1.00 0.00 C ATOM 0 H THR A 59 114.456 2.389 13.312 1.00 0.00 H new ATOM 0 HA THR A 59 112.948 1.947 10.965 1.00 0.00 H new ATOM 0 HB THR A 59 112.137 0.236 13.070 1.00 0.00 H new ATOM 0 HG1 THR A 59 114.995 0.591 12.893 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.413 -1.492 11.842 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.397 -0.500 10.769 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.152 -0.213 10.849 1.00 0.00 H new ATOM 945 N ALA A 60 111.241 2.700 13.696 1.00 0.00 N ATOM 946 CA ALA A 60 109.949 3.172 14.179 1.00 0.00 C ATOM 947 C ALA A 60 109.550 4.466 13.481 1.00 0.00 C ATOM 948 O ALA A 60 108.365 4.751 13.308 1.00 0.00 O ATOM 949 CB ALA A 60 109.991 3.372 15.687 1.00 0.00 C ATOM 0 H ALA A 60 111.957 2.620 14.418 1.00 0.00 H new ATOM 0 HA ALA A 60 109.199 2.416 13.947 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.020 3.725 16.034 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.229 2.426 16.173 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.755 4.109 15.935 1.00 0.00 H new ATOM 955 N TYR A 61 110.549 5.238 13.067 1.00 0.00 N ATOM 956 CA TYR A 61 110.304 6.496 12.374 1.00 0.00 C ATOM 957 C TYR A 61 109.543 6.217 11.094 1.00 0.00 C ATOM 958 O TYR A 61 108.563 6.892 10.775 1.00 0.00 O ATOM 959 CB TYR A 61 111.624 7.207 12.069 1.00 0.00 C ATOM 960 CG TYR A 61 111.563 8.126 10.869 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.496 8.997 10.691 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.574 8.124 9.917 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.438 9.841 9.597 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.525 8.964 8.821 1.00 0.00 C ATOM 965 CZ TYR A 61 111.456 9.821 8.666 1.00 0.00 C ATOM 966 OH TYR A 61 111.404 10.659 7.577 1.00 0.00 O ATOM 0 H TYR A 61 111.535 5.014 13.200 1.00 0.00 H new ATOM 0 HA TYR A 61 109.710 7.150 13.012 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.924 7.786 12.943 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.398 6.458 11.902 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.698 9.016 11.419 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.413 7.454 10.035 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.601 10.512 9.472 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.320 8.949 8.090 1.00 0.00 H new ATOM 0 HH TYR A 61 111.841 11.508 7.797 1.00 0.00 H new ATOM 976 N LEU A 62 109.979 5.186 10.386 1.00 0.00 N ATOM 977 CA LEU A 62 109.318 4.773 9.164 1.00 0.00 C ATOM 978 C LEU A 62 107.960 4.188 9.518 1.00 0.00 C ATOM 979 O LEU A 62 107.005 4.274 8.747 1.00 0.00 O ATOM 980 CB LEU A 62 110.163 3.741 8.413 1.00 0.00 C ATOM 981 CG LEU A 62 111.587 4.187 8.079 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.275 3.156 7.198 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.573 5.548 7.400 1.00 0.00 C ATOM 0 H LEU A 62 110.789 4.621 10.640 1.00 0.00 H new ATOM 0 HA LEU A 62 109.190 5.636 8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.215 2.832 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 62 109.653 3.483 7.485 1.00 0.00 H new ATOM 0 HG LEU A 62 112.149 4.273 9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.287 3.490 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.317 2.201 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 62 111.715 3.038 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.595 5.850 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.995 5.489 6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 62 111.119 6.282 8.066 1.00 0.00 H new ATOM 995 N ASP A 63 107.888 3.598 10.711 1.00 0.00 N ATOM 996 CA ASP A 63 106.650 2.998 11.192 1.00 0.00 C ATOM 997 C ASP A 63 105.578 4.066 11.376 1.00 0.00 C ATOM 998 O ASP A 63 104.382 3.780 11.312 1.00 0.00 O ATOM 999 CB ASP A 63 106.891 2.266 12.513 1.00 0.00 C ATOM 1000 CG ASP A 63 105.842 1.206 12.786 1.00 0.00 C ATOM 1001 OD1 ASP A 63 104.768 1.257 12.149 1.00 0.00 O ATOM 1002 OD2 ASP A 63 106.095 0.326 13.634 1.00 0.00 O ATOM 0 H ASP A 63 108.672 3.524 11.359 1.00 0.00 H new ATOM 0 HA ASP A 63 106.305 2.279 10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 63 107.877 1.801 12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 63 106.895 2.988 13.330 1.00 0.00 H new ATOM 1007 N GLY A 64 106.019 5.298 11.606 1.00 0.00 N ATOM 1008 CA GLY A 64 105.093 6.395 11.797 1.00 0.00 C ATOM 1009 C GLY A 64 104.227 6.649 10.579 1.00 0.00 C ATOM 1010 O GLY A 64 103.062 7.026 10.708 1.00 0.00 O ATOM 0 H GLY A 64 107.004 5.555 11.663 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.454 6.181 12.654 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.652 7.300 12.035 1.00 0.00 H new ATOM 1014 N LEU A 65 104.792 6.442 9.392 1.00 0.00 N ATOM 1015 CA LEU A 65 104.051 6.655 8.156 1.00 0.00 C ATOM 1016 C LEU A 65 103.529 5.335 7.596 1.00 0.00 C ATOM 1017 O LEU A 65 102.688 5.321 6.698 1.00 0.00 O ATOM 1018 CB LEU A 65 104.922 7.369 7.118 1.00 0.00 C ATOM 1019 CG LEU A 65 106.135 6.582 6.619 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.411 6.905 5.157 1.00 0.00 C ATOM 1021 CD2 LEU A 65 107.354 6.892 7.478 1.00 0.00 C ATOM 0 H LEU A 65 105.754 6.129 9.262 1.00 0.00 H new ATOM 0 HA LEU A 65 103.195 7.290 8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 65 104.299 7.624 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.272 8.308 7.548 1.00 0.00 H new ATOM 0 HG LEU A 65 105.919 5.517 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.277 6.337 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 65 105.542 6.638 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 65 106.612 7.971 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 65 108.210 6.325 7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 65 107.575 7.958 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 65 107.150 6.615 8.512 1.00 0.00 H new ATOM 1033 N MET A 66 104.024 4.229 8.141 1.00 0.00 N ATOM 1034 CA MET A 66 103.595 2.906 7.702 1.00 0.00 C ATOM 1035 C MET A 66 102.341 2.475 8.457 1.00 0.00 C ATOM 1036 O MET A 66 101.406 1.926 7.875 1.00 0.00 O ATOM 1037 CB MET A 66 104.717 1.886 7.911 1.00 0.00 C ATOM 1038 CG MET A 66 104.241 0.548 8.458 1.00 0.00 C ATOM 1039 SD MET A 66 103.008 -0.240 7.406 1.00 0.00 S ATOM 1040 CE MET A 66 103.938 -1.636 6.783 1.00 0.00 C ATOM 0 H MET A 66 104.721 4.222 8.886 1.00 0.00 H new ATOM 0 HA MET A 66 103.361 2.954 6.639 1.00 0.00 H new ATOM 0 HB2 MET A 66 105.224 1.719 6.961 1.00 0.00 H new ATOM 0 HB3 MET A 66 105.453 2.306 8.596 1.00 0.00 H new ATOM 0 HG2 MET A 66 105.096 -0.119 8.569 1.00 0.00 H new ATOM 0 HG3 MET A 66 103.821 0.696 9.453 1.00 0.00 H new ATOM 0 HE1 MET A 66 103.553 -1.922 5.804 1.00 0.00 H new ATOM 0 HE2 MET A 66 104.989 -1.362 6.694 1.00 0.00 H new ATOM 0 HE3 MET A 66 103.839 -2.476 7.471 1.00 0.00 H new ATOM 1050 N LYS A 67 102.329 2.740 9.759 1.00 0.00 N ATOM 1051 CA LYS A 67 101.195 2.394 10.607 1.00 0.00 C ATOM 1052 C LYS A 67 99.868 2.554 9.867 1.00 0.00 C ATOM 1053 O LYS A 67 99.076 1.615 9.788 1.00 0.00 O ATOM 1054 CB LYS A 67 101.193 3.263 11.866 1.00 0.00 C ATOM 1055 CG LYS A 67 102.013 2.682 13.008 1.00 0.00 C ATOM 1056 CD LYS A 67 102.629 3.778 13.864 1.00 0.00 C ATOM 1057 CE LYS A 67 101.948 3.873 15.220 1.00 0.00 C ATOM 1058 NZ LYS A 67 102.935 3.890 16.336 1.00 0.00 N ATOM 0 H LYS A 67 103.097 3.196 10.252 1.00 0.00 H new ATOM 0 HA LYS A 67 101.301 1.346 10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 67 101.581 4.250 11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 67 100.165 3.400 12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 67 101.379 2.048 13.627 1.00 0.00 H new ATOM 0 HG3 LYS A 67 102.802 2.047 12.605 1.00 0.00 H new ATOM 0 HD2 LYS A 67 103.692 3.579 14.002 1.00 0.00 H new ATOM 0 HD3 LYS A 67 102.548 4.734 13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 67 101.340 4.777 15.259 1.00 0.00 H new ATOM 0 HE3 LYS A 67 101.271 3.028 15.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 102.432 3.955 17.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 103.498 3.016 16.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 103.565 4.711 16.230 1.00 0.00 H new ATOM 1072 N PRO A 68 99.601 3.754 9.319 1.00 0.00 N ATOM 1073 CA PRO A 68 98.375 4.046 8.596 1.00 0.00 C ATOM 1074 C PRO A 68 97.761 2.814 7.935 1.00 0.00 C ATOM 1075 O PRO A 68 96.539 2.662 7.908 1.00 0.00 O ATOM 1076 CB PRO A 68 98.849 5.050 7.551 1.00 0.00 C ATOM 1077 CG PRO A 68 100.007 5.765 8.183 1.00 0.00 C ATOM 1078 CD PRO A 68 100.472 4.936 9.361 1.00 0.00 C ATOM 0 HA PRO A 68 97.583 4.413 9.249 1.00 0.00 H new ATOM 0 HB2 PRO A 68 99.151 4.548 6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 68 98.054 5.747 7.286 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.815 5.894 7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 68 99.709 6.761 8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.523 4.663 9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.365 5.479 10.300 1.00 0.00 H new ATOM 1086 N TYR A 69 98.606 1.938 7.403 1.00 0.00 N ATOM 1087 CA TYR A 69 98.125 0.726 6.748 1.00 0.00 C ATOM 1088 C TYR A 69 98.661 -0.524 7.440 1.00 0.00 C ATOM 1089 O TYR A 69 99.523 -1.221 6.906 1.00 0.00 O ATOM 1090 CB TYR A 69 98.522 0.718 5.273 1.00 0.00 C ATOM 1091 CG TYR A 69 100.009 0.829 5.052 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.648 2.056 5.136 1.00 0.00 C ATOM 1093 CD2 TYR A 69 100.772 -0.293 4.764 1.00 0.00 C ATOM 1094 CE1 TYR A 69 102.008 2.164 4.936 1.00 0.00 C ATOM 1095 CE2 TYR A 69 102.134 -0.194 4.564 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.749 1.037 4.651 1.00 0.00 C ATOM 1097 OH TYR A 69 104.106 1.140 4.452 1.00 0.00 O ATOM 0 H TYR A 69 99.621 2.042 7.412 1.00 0.00 H new ATOM 0 HA TYR A 69 97.037 0.719 6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 69 98.162 -0.202 4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 69 98.024 1.545 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 69 100.072 2.941 5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.293 -1.259 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.491 3.128 5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 69 102.715 -1.076 4.340 1.00 0.00 H new ATOM 0 HH TYR A 69 104.477 0.253 4.262 1.00 0.00 H new ATOM 1107 N LEU A 70 98.141 -0.801 8.632 1.00 0.00 N ATOM 1108 CA LEU A 70 98.562 -1.968 9.399 1.00 0.00 C ATOM 1109 C LEU A 70 97.477 -3.039 9.395 1.00 0.00 C ATOM 1110 O LEU A 70 96.665 -3.116 10.317 1.00 0.00 O ATOM 1111 CB LEU A 70 98.890 -1.573 10.841 1.00 0.00 C ATOM 1112 CG LEU A 70 100.128 -0.689 11.012 1.00 0.00 C ATOM 1113 CD1 LEU A 70 100.998 -1.207 12.146 1.00 0.00 C ATOM 1114 CD2 LEU A 70 100.923 -0.623 9.716 1.00 0.00 C ATOM 0 H LEU A 70 97.427 -0.233 9.088 1.00 0.00 H new ATOM 0 HA LEU A 70 99.457 -2.373 8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 70 98.030 -1.051 11.262 1.00 0.00 H new ATOM 0 HB3 LEU A 70 99.029 -2.482 11.426 1.00 0.00 H new ATOM 0 HG LEU A 70 99.798 0.319 11.263 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.874 -0.567 12.254 1.00 0.00 H new ATOM 0 HD12 LEU A 70 100.427 -1.201 13.075 1.00 0.00 H new ATOM 0 HD13 LEU A 70 101.318 -2.225 11.924 1.00 0.00 H new ATOM 0 HD21 LEU A 70 101.799 0.010 9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 70 101.242 -1.626 9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 70 100.298 -0.206 8.927 1.00 0.00 H new ATOM 1126 N SER A 71 97.466 -3.864 8.352 1.00 0.00 N ATOM 1127 CA SER A 71 96.479 -4.931 8.235 1.00 0.00 C ATOM 1128 C SER A 71 96.173 -5.539 9.600 1.00 0.00 C ATOM 1129 O SER A 71 95.060 -5.998 9.852 1.00 0.00 O ATOM 1130 CB SER A 71 96.980 -6.016 7.280 1.00 0.00 C ATOM 1131 OG SER A 71 96.193 -6.062 6.102 1.00 0.00 O ATOM 0 H SER A 71 98.128 -3.814 7.578 1.00 0.00 H new ATOM 0 HA SER A 71 95.561 -4.501 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 71 98.020 -5.823 7.019 1.00 0.00 H new ATOM 0 HB3 SER A 71 96.951 -6.985 7.778 1.00 0.00 H new ATOM 0 HG SER A 71 96.535 -6.762 5.507 1.00 0.00 H new ATOM 1137 N ARG A 72 97.172 -5.538 10.477 1.00 0.00 N ATOM 1138 CA ARG A 72 97.016 -6.088 11.819 1.00 0.00 C ATOM 1139 C ARG A 72 98.372 -6.238 12.500 1.00 0.00 C ATOM 1140 O ARG A 72 98.579 -5.744 13.608 1.00 0.00 O ATOM 1141 CB ARG A 72 96.306 -7.441 11.759 1.00 0.00 C ATOM 1142 CG ARG A 72 96.826 -8.354 10.661 1.00 0.00 C ATOM 1143 CD ARG A 72 95.916 -9.555 10.459 1.00 0.00 C ATOM 1144 NE ARG A 72 94.760 -9.522 11.350 1.00 0.00 N ATOM 1145 CZ ARG A 72 94.813 -9.853 12.636 1.00 0.00 C ATOM 1146 NH1 ARG A 72 95.959 -10.242 13.177 1.00 0.00 N ATOM 1147 NH2 ARG A 72 93.718 -9.796 13.382 1.00 0.00 N ATOM 0 H ARG A 72 98.100 -5.162 10.282 1.00 0.00 H new ATOM 0 HA ARG A 72 96.409 -5.397 12.404 1.00 0.00 H new ATOM 0 HB2 ARG A 72 96.417 -7.943 12.720 1.00 0.00 H new ATOM 0 HB3 ARG A 72 95.239 -7.276 11.607 1.00 0.00 H new ATOM 0 HG2 ARG A 72 96.905 -7.795 9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 72 97.830 -8.695 10.915 1.00 0.00 H new ATOM 0 HD2 ARG A 72 95.575 -9.581 9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 72 96.481 -10.471 10.632 1.00 0.00 H new ATOM 0 HE ARG A 72 93.862 -9.229 10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 72 96.803 -10.288 12.606 1.00 0.00 H new ATOM 0 HH12 ARG A 72 95.997 -10.495 14.164 1.00 0.00 H new ATOM 0 HH21 ARG A 72 92.834 -9.498 12.969 1.00 0.00 H new ATOM 0 HH22 ARG A 72 93.759 -10.050 14.369 1.00 0.00 H new ATOM 1161 N LEU A 73 99.291 -6.923 11.827 1.00 0.00 N ATOM 1162 CA LEU A 73 100.629 -7.139 12.363 1.00 0.00 C ATOM 1163 C LEU A 73 101.658 -7.192 11.240 1.00 0.00 C ATOM 1164 O LEU A 73 101.385 -7.716 10.160 1.00 0.00 O ATOM 1165 CB LEU A 73 100.674 -8.436 13.173 1.00 0.00 C ATOM 1166 CG LEU A 73 99.643 -8.533 14.299 1.00 0.00 C ATOM 1167 CD1 LEU A 73 99.247 -9.981 14.537 1.00 0.00 C ATOM 1168 CD2 LEU A 73 100.191 -7.911 15.576 1.00 0.00 C ATOM 0 H LEU A 73 99.133 -7.338 10.909 1.00 0.00 H new ATOM 0 HA LEU A 73 100.872 -6.302 13.018 1.00 0.00 H new ATOM 0 HB2 LEU A 73 100.528 -9.276 12.494 1.00 0.00 H new ATOM 0 HB3 LEU A 73 101.670 -8.544 13.603 1.00 0.00 H new ATOM 0 HG LEU A 73 98.753 -7.980 14.000 1.00 0.00 H new ATOM 0 HD11 LEU A 73 98.513 -10.030 15.341 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.815 -10.395 13.626 1.00 0.00 H new ATOM 0 HD13 LEU A 73 100.129 -10.558 14.815 1.00 0.00 H new ATOM 0 HD21 LEU A 73 99.445 -7.988 16.367 1.00 0.00 H new ATOM 0 HD22 LEU A 73 101.096 -8.438 15.878 1.00 0.00 H new ATOM 0 HD23 LEU A 73 100.424 -6.861 15.398 1.00 0.00 H new ATOM 1180 N LEU A 74 102.841 -6.648 11.501 1.00 0.00 N ATOM 1181 CA LEU A 74 103.910 -6.635 10.509 1.00 0.00 C ATOM 1182 C LEU A 74 104.339 -8.056 10.158 1.00 0.00 C ATOM 1183 O LEU A 74 104.649 -8.354 9.005 1.00 0.00 O ATOM 1184 CB LEU A 74 105.109 -5.839 11.029 1.00 0.00 C ATOM 1185 CG LEU A 74 104.813 -4.381 11.387 1.00 0.00 C ATOM 1186 CD1 LEU A 74 106.095 -3.650 11.752 1.00 0.00 C ATOM 1187 CD2 LEU A 74 104.110 -3.682 10.234 1.00 0.00 C ATOM 0 H LEU A 74 103.084 -6.211 12.390 1.00 0.00 H new ATOM 0 HA LEU A 74 103.531 -6.155 9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 74 105.503 -6.341 11.912 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.894 -5.859 10.273 1.00 0.00 H new ATOM 0 HG LEU A 74 104.151 -4.367 12.253 1.00 0.00 H new ATOM 0 HD11 LEU A 74 105.865 -2.615 12.004 1.00 0.00 H new ATOM 0 HD12 LEU A 74 106.560 -4.137 12.609 1.00 0.00 H new ATOM 0 HD13 LEU A 74 106.781 -3.674 10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 74 103.907 -2.646 10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 74 104.748 -3.707 9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 74 103.171 -4.191 10.018 1.00 0.00 H new ATOM 1199 N GLU A 75 104.354 -8.928 11.160 1.00 0.00 N ATOM 1200 CA GLU A 75 104.744 -10.319 10.958 1.00 0.00 C ATOM 1201 C GLU A 75 103.676 -11.073 10.174 1.00 0.00 C ATOM 1202 O GLU A 75 103.936 -12.141 9.620 1.00 0.00 O ATOM 1203 CB GLU A 75 104.985 -11.004 12.304 1.00 0.00 C ATOM 1204 CG GLU A 75 106.421 -10.900 12.792 1.00 0.00 C ATOM 1205 CD GLU A 75 106.863 -12.125 13.568 1.00 0.00 C ATOM 1206 OE1 GLU A 75 106.126 -12.544 14.485 1.00 0.00 O ATOM 1207 OE2 GLU A 75 107.946 -12.665 13.258 1.00 0.00 O ATOM 0 H GLU A 75 104.101 -8.696 12.121 1.00 0.00 H new ATOM 0 HA GLU A 75 105.669 -10.332 10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 75 104.324 -10.563 13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 75 104.714 -12.056 12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 75 107.082 -10.758 11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 75 106.523 -10.018 13.424 1.00 0.00 H new ATOM 1214 N GLU A 76 102.472 -10.511 10.133 1.00 0.00 N ATOM 1215 CA GLU A 76 101.363 -11.131 9.417 1.00 0.00 C ATOM 1216 C GLU A 76 101.485 -10.901 7.915 1.00 0.00 C ATOM 1217 O GLU A 76 101.685 -11.841 7.147 1.00 0.00 O ATOM 1218 CB GLU A 76 100.030 -10.576 9.922 1.00 0.00 C ATOM 1219 CG GLU A 76 99.549 -11.226 11.210 1.00 0.00 C ATOM 1220 CD GLU A 76 98.565 -12.352 10.962 1.00 0.00 C ATOM 1221 OE1 GLU A 76 98.783 -13.134 10.013 1.00 0.00 O ATOM 1222 OE2 GLU A 76 97.573 -12.452 11.716 1.00 0.00 O ATOM 0 H GLU A 76 102.240 -9.628 10.587 1.00 0.00 H new ATOM 0 HA GLU A 76 101.398 -12.204 9.605 1.00 0.00 H new ATOM 0 HB2 GLU A 76 100.130 -9.502 10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 76 99.273 -10.714 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 76 100.407 -11.613 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 76 99.080 -10.471 11.841 1.00 0.00 H new ATOM 1229 N LEU A 77 101.360 -9.644 7.500 1.00 0.00 N ATOM 1230 CA LEU A 77 101.455 -9.291 6.088 1.00 0.00 C ATOM 1231 C LEU A 77 102.759 -9.804 5.487 1.00 0.00 C ATOM 1232 O LEU A 77 103.719 -10.082 6.208 1.00 0.00 O ATOM 1233 CB LEU A 77 101.362 -7.774 5.913 1.00 0.00 C ATOM 1234 CG LEU A 77 100.769 -7.312 4.580 1.00 0.00 C ATOM 1235 CD1 LEU A 77 99.499 -6.508 4.812 1.00 0.00 C ATOM 1236 CD2 LEU A 77 101.788 -6.491 3.803 1.00 0.00 C ATOM 0 H LEU A 77 101.193 -8.853 8.122 1.00 0.00 H new ATOM 0 HA LEU A 77 100.623 -9.762 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 77 100.757 -7.366 6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 77 102.361 -7.350 6.016 1.00 0.00 H new ATOM 0 HG LEU A 77 100.514 -8.193 3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 77 99.091 -6.188 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 77 98.766 -7.127 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 77 99.728 -5.633 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 77 101.351 -6.170 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 77 102.072 -5.616 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 77 102.671 -7.099 3.607 1.00 0.00 H new ATOM 1248 N GLY A 78 102.790 -9.925 4.163 1.00 0.00 N ATOM 1249 CA GLY A 78 103.983 -10.402 3.489 1.00 0.00 C ATOM 1250 C GLY A 78 105.253 -9.912 4.155 1.00 0.00 C ATOM 1251 O GLY A 78 105.243 -8.895 4.849 1.00 0.00 O ATOM 0 H GLY A 78 102.010 -9.701 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 78 103.979 -11.492 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 78 103.968 -10.071 2.451 1.00 0.00 H new ATOM 1255 N GLN A 79 106.349 -10.635 3.949 1.00 0.00 N ATOM 1256 CA GLN A 79 107.625 -10.262 4.540 1.00 0.00 C ATOM 1257 C GLN A 79 108.390 -9.304 3.631 1.00 0.00 C ATOM 1258 O GLN A 79 108.691 -8.176 4.021 1.00 0.00 O ATOM 1259 CB GLN A 79 108.462 -11.511 4.813 1.00 0.00 C ATOM 1260 CG GLN A 79 109.954 -11.267 4.723 1.00 0.00 C ATOM 1261 CD GLN A 79 110.417 -10.140 5.625 1.00 0.00 C ATOM 1262 OE1 GLN A 79 110.931 -9.125 5.155 1.00 0.00 O ATOM 1263 NE2 GLN A 79 110.236 -10.313 6.929 1.00 0.00 N ATOM 0 H GLN A 79 106.377 -11.480 3.378 1.00 0.00 H new ATOM 0 HA GLN A 79 107.428 -9.751 5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 79 108.223 -11.890 5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 79 108.185 -12.288 4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 79 110.484 -12.181 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 79 110.218 -11.034 3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 79 109.806 -11.171 7.275 1.00 0.00 H new ATOM 0 HE22 GLN A 79 110.527 -9.588 7.585 1.00 0.00 H new ATOM 1272 N VAL A 80 108.704 -9.758 2.421 1.00 0.00 N ATOM 1273 CA VAL A 80 109.437 -8.924 1.469 1.00 0.00 C ATOM 1274 C VAL A 80 108.657 -7.660 1.136 1.00 0.00 C ATOM 1275 O VAL A 80 109.188 -6.553 1.221 1.00 0.00 O ATOM 1276 CB VAL A 80 109.749 -9.661 0.147 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.196 -10.126 0.119 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.798 -10.827 -0.078 1.00 0.00 C ATOM 0 H VAL A 80 108.466 -10.688 2.077 1.00 0.00 H new ATOM 0 HA VAL A 80 110.377 -8.673 1.959 1.00 0.00 H new ATOM 0 HB VAL A 80 109.601 -8.955 -0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.394 -10.642 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 80 111.857 -9.264 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.376 -10.806 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 80 109.046 -11.323 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 80 108.892 -11.537 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.773 -10.458 -0.122 1.00 0.00 H new ATOM 1288 N GLU A 81 107.395 -7.830 0.760 1.00 0.00 N ATOM 1289 CA GLU A 81 106.553 -6.695 0.412 1.00 0.00 C ATOM 1290 C GLU A 81 106.514 -5.692 1.555 1.00 0.00 C ATOM 1291 O GLU A 81 106.749 -4.500 1.354 1.00 0.00 O ATOM 1292 CB GLU A 81 105.135 -7.164 0.078 1.00 0.00 C ATOM 1293 CG GLU A 81 104.496 -6.399 -1.069 1.00 0.00 C ATOM 1294 CD GLU A 81 103.136 -5.835 -0.707 1.00 0.00 C ATOM 1295 OE1 GLU A 81 103.085 -4.710 -0.166 1.00 0.00 O ATOM 1296 OE2 GLU A 81 102.122 -6.516 -0.965 1.00 0.00 O ATOM 0 H GLU A 81 106.935 -8.738 0.689 1.00 0.00 H new ATOM 0 HA GLU A 81 106.978 -6.209 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 81 105.162 -8.224 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.509 -7.062 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 81 105.155 -5.584 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 81 104.394 -7.060 -1.930 1.00 0.00 H new ATOM 1303 N LYS A 82 106.243 -6.182 2.757 1.00 0.00 N ATOM 1304 CA LYS A 82 106.195 -5.320 3.927 1.00 0.00 C ATOM 1305 C LYS A 82 107.521 -4.595 4.083 1.00 0.00 C ATOM 1306 O LYS A 82 107.562 -3.420 4.445 1.00 0.00 O ATOM 1307 CB LYS A 82 105.890 -6.137 5.185 1.00 0.00 C ATOM 1308 CG LYS A 82 105.772 -5.294 6.444 1.00 0.00 C ATOM 1309 CD LYS A 82 107.139 -4.912 6.989 1.00 0.00 C ATOM 1310 CE LYS A 82 107.267 -3.407 7.166 1.00 0.00 C ATOM 1311 NZ LYS A 82 106.653 -2.942 8.440 1.00 0.00 N ATOM 0 H LYS A 82 106.054 -7.166 2.946 1.00 0.00 H new ATOM 0 HA LYS A 82 105.399 -4.588 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 82 104.959 -6.684 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.677 -6.878 5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.201 -4.392 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.218 -5.847 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.302 -5.407 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 82 107.915 -5.267 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.321 -3.128 7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 82 106.789 -2.901 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 105.690 -2.595 8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 106.613 -3.732 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 107.227 -2.173 8.841 1.00 0.00 H new ATOM 1325 N ALA A 83 108.606 -5.299 3.782 1.00 0.00 N ATOM 1326 CA ALA A 83 109.934 -4.717 3.860 1.00 0.00 C ATOM 1327 C ALA A 83 110.125 -3.700 2.744 1.00 0.00 C ATOM 1328 O ALA A 83 110.725 -2.643 2.942 1.00 0.00 O ATOM 1329 CB ALA A 83 110.999 -5.805 3.780 1.00 0.00 C ATOM 0 H ALA A 83 108.589 -6.274 3.482 1.00 0.00 H new ATOM 0 HA ALA A 83 110.037 -4.208 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 83 111.988 -5.351 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 83 110.869 -6.503 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 83 110.902 -6.340 2.835 1.00 0.00 H new ATOM 1335 N VAL A 84 109.598 -4.031 1.568 1.00 0.00 N ATOM 1336 CA VAL A 84 109.708 -3.165 0.403 1.00 0.00 C ATOM 1337 C VAL A 84 109.122 -1.794 0.686 1.00 0.00 C ATOM 1338 O VAL A 84 109.711 -0.770 0.338 1.00 0.00 O ATOM 1339 CB VAL A 84 108.982 -3.772 -0.811 1.00 0.00 C ATOM 1340 CG1 VAL A 84 108.086 -2.731 -1.467 1.00 0.00 C ATOM 1341 CG2 VAL A 84 109.984 -4.335 -1.810 1.00 0.00 C ATOM 0 H VAL A 84 109.088 -4.898 1.399 1.00 0.00 H new ATOM 0 HA VAL A 84 110.770 -3.067 0.178 1.00 0.00 H new ATOM 0 HB VAL A 84 108.355 -4.594 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.579 -3.175 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.345 -2.383 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.691 -1.888 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.451 -4.759 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.641 -3.537 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.579 -5.112 -1.330 1.00 0.00 H new ATOM 1351 N LEU A 85 107.963 -1.780 1.322 1.00 0.00 N ATOM 1352 CA LEU A 85 107.300 -0.534 1.653 1.00 0.00 C ATOM 1353 C LEU A 85 108.068 0.222 2.730 1.00 0.00 C ATOM 1354 O LEU A 85 108.088 1.452 2.737 1.00 0.00 O ATOM 1355 CB LEU A 85 105.874 -0.800 2.138 1.00 0.00 C ATOM 1356 CG LEU A 85 105.021 -1.679 1.223 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.955 -2.403 2.031 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.384 -0.843 0.123 1.00 0.00 C ATOM 0 H LEU A 85 107.463 -2.618 1.619 1.00 0.00 H new ATOM 0 HA LEU A 85 107.267 0.076 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 85 105.925 -1.270 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.369 0.157 2.268 1.00 0.00 H new ATOM 0 HG LEU A 85 105.666 -2.423 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.355 -3.025 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.432 -3.031 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.312 -1.673 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.781 -1.485 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.750 -0.077 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.165 -0.367 -0.471 1.00 0.00 H new ATOM 1370 N ARG A 86 108.702 -0.515 3.641 1.00 0.00 N ATOM 1371 CA ARG A 86 109.444 0.114 4.726 1.00 0.00 C ATOM 1372 C ARG A 86 110.520 1.032 4.178 1.00 0.00 C ATOM 1373 O ARG A 86 110.626 2.191 4.582 1.00 0.00 O ATOM 1374 CB ARG A 86 110.073 -0.951 5.626 1.00 0.00 C ATOM 1375 CG ARG A 86 110.158 -0.541 7.087 1.00 0.00 C ATOM 1376 CD ARG A 86 111.080 -1.459 7.870 1.00 0.00 C ATOM 1377 NE ARG A 86 110.540 -1.784 9.188 1.00 0.00 N ATOM 1378 CZ ARG A 86 111.200 -2.488 10.101 1.00 0.00 C ATOM 1379 NH1 ARG A 86 112.419 -2.940 9.840 1.00 0.00 N ATOM 1380 NH2 ARG A 86 110.641 -2.742 11.276 1.00 0.00 N ATOM 0 H ARG A 86 108.716 -1.535 3.648 1.00 0.00 H new ATOM 0 HA ARG A 86 108.747 0.710 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.491 -1.870 5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 86 111.075 -1.177 5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 86 110.519 0.485 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 86 109.162 -0.560 7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 86 111.239 -2.379 7.307 1.00 0.00 H new ATOM 0 HD3 ARG A 86 112.054 -0.983 7.985 1.00 0.00 H new ATOM 0 HE ARG A 86 109.604 -1.452 9.420 1.00 0.00 H new ATOM 0 HH11 ARG A 86 112.852 -2.747 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 86 112.924 -3.480 10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 86 109.703 -2.397 11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 86 111.149 -3.283 11.976 1.00 0.00 H new ATOM 1394 N ILE A 87 111.297 0.528 3.235 1.00 0.00 N ATOM 1395 CA ILE A 87 112.341 1.328 2.626 1.00 0.00 C ATOM 1396 C ILE A 87 111.725 2.484 1.853 1.00 0.00 C ATOM 1397 O ILE A 87 112.279 3.584 1.809 1.00 0.00 O ATOM 1398 CB ILE A 87 113.216 0.491 1.674 1.00 0.00 C ATOM 1399 CG1 ILE A 87 113.706 -0.776 2.379 1.00 0.00 C ATOM 1400 CG2 ILE A 87 114.393 1.314 1.175 1.00 0.00 C ATOM 1401 CD1 ILE A 87 113.858 -1.962 1.452 1.00 0.00 C ATOM 0 H ILE A 87 111.225 -0.425 2.878 1.00 0.00 H new ATOM 0 HA ILE A 87 112.974 1.709 3.428 1.00 0.00 H new ATOM 0 HB ILE A 87 112.613 0.197 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 87 114.666 -0.570 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 87 113.006 -1.034 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 87 115.002 0.708 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.024 2.189 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 87 114.998 1.635 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 87 114.208 -2.824 2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 87 112.895 -2.194 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 87 114.580 -1.723 0.671 1.00 0.00 H new ATOM 1413 N ALA A 88 110.559 2.233 1.260 1.00 0.00 N ATOM 1414 CA ALA A 88 109.863 3.253 0.495 1.00 0.00 C ATOM 1415 C ALA A 88 109.535 4.445 1.372 1.00 0.00 C ATOM 1416 O ALA A 88 109.557 5.590 0.918 1.00 0.00 O ATOM 1417 CB ALA A 88 108.595 2.681 -0.119 1.00 0.00 C ATOM 0 H ALA A 88 110.081 1.333 1.297 1.00 0.00 H new ATOM 0 HA ALA A 88 110.518 3.588 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 88 108.085 3.457 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 88 108.852 1.854 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 88 107.938 2.321 0.673 1.00 0.00 H new ATOM 1423 N LEU A 89 109.247 4.174 2.636 1.00 0.00 N ATOM 1424 CA LEU A 89 108.919 5.228 3.575 1.00 0.00 C ATOM 1425 C LEU A 89 110.088 6.192 3.711 1.00 0.00 C ATOM 1426 O LEU A 89 109.910 7.411 3.689 1.00 0.00 O ATOM 1427 CB LEU A 89 108.569 4.626 4.938 1.00 0.00 C ATOM 1428 CG LEU A 89 107.567 3.470 4.900 1.00 0.00 C ATOM 1429 CD1 LEU A 89 107.099 3.124 6.303 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.381 3.816 4.010 1.00 0.00 C ATOM 0 H LEU A 89 109.235 3.234 3.032 1.00 0.00 H new ATOM 0 HA LEU A 89 108.055 5.777 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.487 4.275 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.166 5.415 5.573 1.00 0.00 H new ATOM 0 HG LEU A 89 108.067 2.597 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 89 106.387 2.300 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 89 107.955 2.830 6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 89 106.618 3.994 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.680 2.981 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 89 105.881 4.703 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.731 4.012 2.997 1.00 0.00 H new ATOM 1442 N TYR A 90 111.289 5.644 3.824 1.00 0.00 N ATOM 1443 CA TYR A 90 112.475 6.470 3.946 1.00 0.00 C ATOM 1444 C TYR A 90 112.765 7.180 2.635 1.00 0.00 C ATOM 1445 O TYR A 90 113.357 8.258 2.615 1.00 0.00 O ATOM 1446 CB TYR A 90 113.682 5.645 4.385 1.00 0.00 C ATOM 1447 CG TYR A 90 114.524 6.326 5.445 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.336 7.671 5.764 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.508 5.623 6.130 1.00 0.00 C ATOM 1450 CE1 TYR A 90 115.106 8.287 6.732 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.280 6.234 7.100 1.00 0.00 C ATOM 1452 CZ TYR A 90 116.076 7.565 7.396 1.00 0.00 C ATOM 1453 OH TYR A 90 116.844 8.176 8.361 1.00 0.00 O ATOM 0 H TYR A 90 111.465 4.639 3.833 1.00 0.00 H new ATOM 0 HA TYR A 90 112.284 7.219 4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.336 4.685 4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.305 5.436 3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.577 8.239 5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.672 4.581 5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 90 114.949 9.329 6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 90 117.039 5.672 7.623 1.00 0.00 H new ATOM 0 HH TYR A 90 117.479 7.528 8.732 1.00 0.00 H new ATOM 1463 N GLU A 91 112.341 6.565 1.537 1.00 0.00 N ATOM 1464 CA GLU A 91 112.557 7.139 0.219 1.00 0.00 C ATOM 1465 C GLU A 91 112.051 8.574 0.183 1.00 0.00 C ATOM 1466 O GLU A 91 112.632 9.431 -0.483 1.00 0.00 O ATOM 1467 CB GLU A 91 111.849 6.305 -0.850 1.00 0.00 C ATOM 1468 CG GLU A 91 112.642 6.168 -2.140 1.00 0.00 C ATOM 1469 CD GLU A 91 113.543 4.949 -2.142 1.00 0.00 C ATOM 1470 OE1 GLU A 91 113.972 4.525 -1.049 1.00 0.00 O ATOM 1471 OE2 GLU A 91 113.818 4.416 -3.239 1.00 0.00 O ATOM 0 H GLU A 91 111.848 5.672 1.535 1.00 0.00 H new ATOM 0 HA GLU A 91 113.627 7.136 0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.648 5.311 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.884 6.760 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 91 111.952 6.107 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 91 113.247 7.063 -2.288 1.00 0.00 H new ATOM 1478 N LEU A 92 110.968 8.833 0.908 1.00 0.00 N ATOM 1479 CA LEU A 92 110.394 10.169 0.960 1.00 0.00 C ATOM 1480 C LEU A 92 111.306 11.118 1.731 1.00 0.00 C ATOM 1481 O LEU A 92 111.445 12.289 1.373 1.00 0.00 O ATOM 1482 CB LEU A 92 109.008 10.117 1.601 1.00 0.00 C ATOM 1483 CG LEU A 92 108.089 9.036 1.032 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.484 8.202 2.150 1.00 0.00 C ATOM 1485 CD2 LEU A 92 107.000 9.661 0.175 1.00 0.00 C ATOM 0 H LEU A 92 110.473 8.137 1.465 1.00 0.00 H new ATOM 0 HA LEU A 92 110.296 10.547 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 92 109.123 9.952 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 92 108.527 11.087 1.477 1.00 0.00 H new ATOM 0 HG LEU A 92 108.684 8.375 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.833 7.439 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 92 108.281 7.723 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.903 8.846 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.355 8.877 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.408 10.346 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.456 10.209 -0.650 1.00 0.00 H new ATOM 1497 N SER A 93 111.925 10.605 2.789 1.00 0.00 N ATOM 1498 CA SER A 93 112.828 11.403 3.612 1.00 0.00 C ATOM 1499 C SER A 93 114.167 11.612 2.913 1.00 0.00 C ATOM 1500 O SER A 93 114.685 12.727 2.861 1.00 0.00 O ATOM 1501 CB SER A 93 113.044 10.729 4.968 1.00 0.00 C ATOM 1502 OG SER A 93 114.422 10.512 5.216 1.00 0.00 O ATOM 0 H SER A 93 111.818 9.639 3.097 1.00 0.00 H new ATOM 0 HA SER A 93 112.368 12.379 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.623 11.351 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.512 9.778 4.994 1.00 0.00 H new ATOM 0 HG SER A 93 114.599 9.549 5.260 1.00 0.00 H new ATOM 1508 N LYS A 94 114.724 10.529 2.381 1.00 0.00 N ATOM 1509 CA LYS A 94 116.007 10.590 1.689 1.00 0.00 C ATOM 1510 C LYS A 94 115.817 10.948 0.218 1.00 0.00 C ATOM 1511 O LYS A 94 116.719 10.759 -0.598 1.00 0.00 O ATOM 1512 CB LYS A 94 116.740 9.253 1.811 1.00 0.00 C ATOM 1513 CG LYS A 94 116.532 8.567 3.151 1.00 0.00 C ATOM 1514 CD LYS A 94 117.509 9.079 4.197 1.00 0.00 C ATOM 1515 CE LYS A 94 116.966 10.305 4.914 1.00 0.00 C ATOM 1516 NZ LYS A 94 118.055 11.219 5.356 1.00 0.00 N ATOM 0 H LYS A 94 114.307 9.599 2.416 1.00 0.00 H new ATOM 0 HA LYS A 94 116.607 11.369 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 94 116.402 8.589 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.807 9.417 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.511 8.735 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 94 116.655 7.490 3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 94 117.712 8.292 4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 94 118.458 9.325 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 94 116.288 10.842 4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 94 116.383 9.990 5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 117.643 12.042 5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 118.688 10.714 6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 118.596 11.540 4.528 1.00 0.00 H new ATOM 1530 N ARG A 95 114.638 11.464 -0.114 1.00 0.00 N ATOM 1531 CA ARG A 95 114.332 11.848 -1.487 1.00 0.00 C ATOM 1532 C ARG A 95 115.225 12.998 -1.942 1.00 0.00 C ATOM 1533 O ARG A 95 115.639 13.832 -1.137 1.00 0.00 O ATOM 1534 CB ARG A 95 112.861 12.249 -1.610 1.00 0.00 C ATOM 1535 CG ARG A 95 112.627 13.747 -1.495 1.00 0.00 C ATOM 1536 CD ARG A 95 113.274 14.317 -0.243 1.00 0.00 C ATOM 1537 NE ARG A 95 112.300 14.969 0.628 1.00 0.00 N ATOM 1538 CZ ARG A 95 112.631 15.798 1.613 1.00 0.00 C ATOM 1539 NH1 ARG A 95 113.907 16.073 1.850 1.00 0.00 N ATOM 1540 NH2 ARG A 95 111.688 16.352 2.361 1.00 0.00 N ATOM 0 H ARG A 95 113.879 11.626 0.549 1.00 0.00 H new ATOM 0 HA ARG A 95 114.522 10.988 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.478 11.902 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 95 112.288 11.740 -0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 95 113.031 14.248 -2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 95 111.556 13.949 -1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 95 113.771 13.516 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 95 114.044 15.035 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 95 111.310 14.778 0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 95 114.635 15.648 1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 95 114.160 16.709 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 95 110.706 16.143 2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 95 111.944 16.988 3.116 1.00 0.00 H new ATOM 1554 N SER A 96 115.518 13.036 -3.237 1.00 0.00 N ATOM 1555 CA SER A 96 116.363 14.084 -3.800 1.00 0.00 C ATOM 1556 C SER A 96 115.519 15.149 -4.493 1.00 0.00 C ATOM 1557 O SER A 96 115.477 16.300 -4.059 1.00 0.00 O ATOM 1558 CB SER A 96 117.364 13.485 -4.789 1.00 0.00 C ATOM 1559 OG SER A 96 118.687 13.566 -4.288 1.00 0.00 O ATOM 0 H SER A 96 115.183 12.354 -3.917 1.00 0.00 H new ATOM 0 HA SER A 96 116.909 14.555 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 96 117.109 12.443 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 96 117.299 14.012 -5.741 1.00 0.00 H new ATOM 0 HG SER A 96 119.307 13.175 -4.938 1.00 0.00 H new ATOM 1565 N ASP A 97 114.851 14.757 -5.571 1.00 0.00 N ATOM 1566 CA ASP A 97 114.008 15.678 -6.326 1.00 0.00 C ATOM 1567 C ASP A 97 112.602 15.114 -6.496 1.00 0.00 C ATOM 1568 O ASP A 97 111.987 15.260 -7.553 1.00 0.00 O ATOM 1569 CB ASP A 97 114.627 15.963 -7.695 1.00 0.00 C ATOM 1570 CG ASP A 97 114.031 17.192 -8.354 1.00 0.00 C ATOM 1571 OD1 ASP A 97 113.030 17.721 -7.827 1.00 0.00 O ATOM 1572 OD2 ASP A 97 114.566 17.625 -9.396 1.00 0.00 O ATOM 0 H ASP A 97 114.876 13.807 -5.943 1.00 0.00 H new ATOM 0 HA ASP A 97 113.939 16.611 -5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 97 115.703 16.100 -7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 97 114.481 15.099 -8.344 1.00 0.00 H new ATOM 1577 N VAL A 98 112.098 14.468 -5.450 1.00 0.00 N ATOM 1578 CA VAL A 98 110.764 13.882 -5.483 1.00 0.00 C ATOM 1579 C VAL A 98 109.892 14.437 -4.362 1.00 0.00 C ATOM 1580 O VAL A 98 110.321 14.522 -3.212 1.00 0.00 O ATOM 1581 CB VAL A 98 110.821 12.348 -5.362 1.00 0.00 C ATOM 1582 CG1 VAL A 98 109.610 11.826 -4.604 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.915 11.707 -6.738 1.00 0.00 C ATOM 0 H VAL A 98 112.594 14.337 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 98 110.326 14.147 -6.445 1.00 0.00 H new ATOM 0 HB VAL A 98 111.715 12.080 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.668 10.740 -4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.593 12.259 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 98 108.700 12.105 -5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.954 10.623 -6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 98 110.041 11.983 -7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 98 111.817 12.055 -7.241 1.00 0.00 H new ATOM 1593 N PRO A 99 108.650 14.822 -4.690 1.00 0.00 N ATOM 1594 CA PRO A 99 107.708 15.373 -3.711 1.00 0.00 C ATOM 1595 C PRO A 99 107.316 14.352 -2.647 1.00 0.00 C ATOM 1596 O PRO A 99 107.922 14.295 -1.576 1.00 0.00 O ATOM 1597 CB PRO A 99 106.491 15.761 -4.557 1.00 0.00 C ATOM 1598 CG PRO A 99 106.599 14.933 -5.792 1.00 0.00 C ATOM 1599 CD PRO A 99 108.070 14.750 -6.039 1.00 0.00 C ATOM 0 HA PRO A 99 108.139 16.208 -3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 99 105.561 15.558 -4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 99 106.498 16.825 -4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 99 106.102 13.971 -5.662 1.00 0.00 H new ATOM 0 HG3 PRO A 99 106.120 15.428 -6.637 1.00 0.00 H new ATOM 0 HD2 PRO A 99 108.282 13.794 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 99 108.469 15.528 -6.690 1.00 0.00 H new ATOM 1607 N TYR A 100 106.303 13.545 -2.948 1.00 0.00 N ATOM 1608 CA TYR A 100 105.835 12.527 -2.016 1.00 0.00 C ATOM 1609 C TYR A 100 104.883 11.553 -2.704 1.00 0.00 C ATOM 1610 O TYR A 100 105.080 10.340 -2.658 1.00 0.00 O ATOM 1611 CB TYR A 100 105.143 13.179 -0.816 1.00 0.00 C ATOM 1612 CG TYR A 100 103.689 13.519 -1.062 1.00 0.00 C ATOM 1613 CD1 TYR A 100 102.691 12.574 -0.859 1.00 0.00 C ATOM 1614 CD2 TYR A 100 103.315 14.783 -1.498 1.00 0.00 C ATOM 1615 CE1 TYR A 100 101.363 12.880 -1.083 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.989 15.098 -1.725 1.00 0.00 C ATOM 1617 CZ TYR A 100 101.016 14.142 -1.516 1.00 0.00 C ATOM 1618 OH TYR A 100 99.694 14.450 -1.740 1.00 0.00 O ATOM 0 H TYR A 100 105.791 13.577 -3.830 1.00 0.00 H new ATOM 0 HA TYR A 100 106.702 11.969 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.210 12.507 0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 100 105.680 14.089 -0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 100 102.958 11.584 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 100 104.074 15.533 -1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 100 100.600 12.134 -0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 100 101.716 16.086 -2.064 1.00 0.00 H new ATOM 0 HH TYR A 100 99.621 15.380 -2.040 1.00 0.00 H new ATOM 1628 N LYS A 101 103.851 12.094 -3.345 1.00 0.00 N ATOM 1629 CA LYS A 101 102.870 11.272 -4.042 1.00 0.00 C ATOM 1630 C LYS A 101 103.518 10.510 -5.194 1.00 0.00 C ATOM 1631 O LYS A 101 103.060 9.434 -5.573 1.00 0.00 O ATOM 1632 CB LYS A 101 101.725 12.139 -4.565 1.00 0.00 C ATOM 1633 CG LYS A 101 102.131 13.067 -5.696 1.00 0.00 C ATOM 1634 CD LYS A 101 101.240 12.885 -6.913 1.00 0.00 C ATOM 1635 CE LYS A 101 99.798 13.263 -6.610 1.00 0.00 C ATOM 1636 NZ LYS A 101 99.167 13.999 -7.740 1.00 0.00 N ATOM 0 H LYS A 101 103.673 13.097 -3.396 1.00 0.00 H new ATOM 0 HA LYS A 101 102.470 10.548 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 101 100.919 11.492 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.327 12.734 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 101 102.078 14.101 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 101 103.168 12.875 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 101 101.613 13.498 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 101 101.283 11.848 -7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 101 99.223 12.361 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 101 99.766 13.880 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 98.185 14.238 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 99.700 14.873 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 99.174 13.401 -8.591 1.00 0.00 H new ATOM 1650 N VAL A 102 104.587 11.073 -5.747 1.00 0.00 N ATOM 1651 CA VAL A 102 105.294 10.440 -6.852 1.00 0.00 C ATOM 1652 C VAL A 102 105.894 9.107 -6.418 1.00 0.00 C ATOM 1653 O VAL A 102 105.955 8.157 -7.201 1.00 0.00 O ATOM 1654 CB VAL A 102 106.417 11.343 -7.395 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.690 11.160 -6.584 1.00 0.00 C ATOM 1656 CG2 VAL A 102 106.667 11.054 -8.867 1.00 0.00 C ATOM 0 H VAL A 102 104.982 11.965 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 102 104.564 10.272 -7.643 1.00 0.00 H new ATOM 0 HB VAL A 102 106.101 12.382 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.472 11.806 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 102 107.499 11.422 -5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 102 108.013 10.121 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 102 107.464 11.701 -9.235 1.00 0.00 H new ATOM 0 HG22 VAL A 102 106.961 10.011 -8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 102 105.756 11.242 -9.435 1.00 0.00 H new ATOM 1666 N ALA A 103 106.334 9.044 -5.166 1.00 0.00 N ATOM 1667 CA ALA A 103 106.929 7.829 -4.623 1.00 0.00 C ATOM 1668 C ALA A 103 105.909 6.698 -4.554 1.00 0.00 C ATOM 1669 O ALA A 103 106.272 5.522 -4.564 1.00 0.00 O ATOM 1670 CB ALA A 103 107.513 8.100 -3.244 1.00 0.00 C ATOM 0 H ALA A 103 106.290 9.822 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 103 107.731 7.517 -5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 103 107.954 7.185 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.281 8.870 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.723 8.440 -2.575 1.00 0.00 H new ATOM 1676 N ILE A 104 104.632 7.061 -4.487 1.00 0.00 N ATOM 1677 CA ILE A 104 103.560 6.074 -4.418 1.00 0.00 C ATOM 1678 C ILE A 104 103.597 5.159 -5.631 1.00 0.00 C ATOM 1679 O ILE A 104 103.275 3.974 -5.545 1.00 0.00 O ATOM 1680 CB ILE A 104 102.173 6.744 -4.342 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.816 7.089 -2.893 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.114 5.838 -4.949 1.00 0.00 C ATOM 1683 CD1 ILE A 104 102.811 8.017 -2.228 1.00 0.00 C ATOM 0 H ILE A 104 104.314 8.030 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 104 103.720 5.493 -3.510 1.00 0.00 H new ATOM 0 HB ILE A 104 102.208 7.671 -4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 104 100.829 7.552 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.749 6.167 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.141 6.325 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.357 5.643 -5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.084 4.896 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 104 102.494 8.217 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 104 103.795 7.548 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 104 102.861 8.954 -2.782 1.00 0.00 H new ATOM 1695 N ASN A 105 104.000 5.721 -6.761 1.00 0.00 N ATOM 1696 CA ASN A 105 104.089 4.966 -8.005 1.00 0.00 C ATOM 1697 C ASN A 105 105.069 3.803 -7.867 1.00 0.00 C ATOM 1698 O ASN A 105 104.922 2.774 -8.526 1.00 0.00 O ATOM 1699 CB ASN A 105 104.524 5.882 -9.150 1.00 0.00 C ATOM 1700 CG ASN A 105 104.291 5.257 -10.512 1.00 0.00 C ATOM 1701 OD1 ASN A 105 103.199 4.770 -10.805 1.00 0.00 O ATOM 1702 ND2 ASN A 105 105.319 5.266 -11.351 1.00 0.00 N ATOM 0 H ASN A 105 104.272 6.701 -6.843 1.00 0.00 H new ATOM 0 HA ASN A 105 103.102 4.561 -8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 105 103.977 6.823 -9.087 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.582 6.120 -9.039 1.00 0.00 H new ATOM 0 HD21 ASN A 105 105.222 4.858 -12.281 1.00 0.00 H new ATOM 0 HD22 ASN A 105 106.206 5.681 -11.066 1.00 0.00 H new ATOM 1709 N GLU A 106 106.070 3.979 -7.012 1.00 0.00 N ATOM 1710 CA GLU A 106 107.082 2.949 -6.792 1.00 0.00 C ATOM 1711 C GLU A 106 106.521 1.777 -5.989 1.00 0.00 C ATOM 1712 O GLU A 106 106.930 0.633 -6.181 1.00 0.00 O ATOM 1713 CB GLU A 106 108.291 3.544 -6.068 1.00 0.00 C ATOM 1714 CG GLU A 106 108.803 4.831 -6.695 1.00 0.00 C ATOM 1715 CD GLU A 106 110.211 5.176 -6.250 1.00 0.00 C ATOM 1716 OE1 GLU A 106 111.163 4.536 -6.743 1.00 0.00 O ATOM 1717 OE2 GLU A 106 110.361 6.086 -5.408 1.00 0.00 O ATOM 0 H GLU A 106 106.204 4.825 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 106 107.392 2.573 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 106 108.023 3.737 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 106 109.096 2.809 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 106 108.782 4.735 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 106 108.132 5.650 -6.434 1.00 0.00 H new ATOM 1724 N ALA A 107 105.581 2.066 -5.094 1.00 0.00 N ATOM 1725 CA ALA A 107 104.971 1.032 -4.272 1.00 0.00 C ATOM 1726 C ALA A 107 104.690 -0.210 -5.104 1.00 0.00 C ATOM 1727 O ALA A 107 105.319 -1.253 -4.924 1.00 0.00 O ATOM 1728 CB ALA A 107 103.687 1.549 -3.643 1.00 0.00 C ATOM 0 H ALA A 107 105.227 3.007 -4.921 1.00 0.00 H new ATOM 0 HA ALA A 107 105.666 0.765 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.241 0.765 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.910 2.414 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.988 1.838 -4.428 1.00 0.00 H new ATOM 1734 N ILE A 108 103.738 -0.081 -6.019 1.00 0.00 N ATOM 1735 CA ILE A 108 103.355 -1.182 -6.888 1.00 0.00 C ATOM 1736 C ILE A 108 104.573 -1.912 -7.442 1.00 0.00 C ATOM 1737 O ILE A 108 104.603 -3.142 -7.488 1.00 0.00 O ATOM 1738 CB ILE A 108 102.489 -0.695 -8.065 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.399 0.257 -7.567 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.877 -1.879 -8.797 1.00 0.00 C ATOM 1741 CD1 ILE A 108 100.362 0.591 -8.617 1.00 0.00 C ATOM 0 H ILE A 108 103.216 0.781 -6.178 1.00 0.00 H new ATOM 0 HA ILE A 108 102.775 -1.871 -6.274 1.00 0.00 H new ATOM 0 HB ILE A 108 103.124 -0.151 -8.764 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.902 -0.191 -6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.864 1.180 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 108 101.268 -1.519 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 108 102.671 -2.519 -9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 108 101.253 -2.449 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.621 1.270 -8.194 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.847 1.068 -9.468 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.870 -0.324 -8.946 1.00 0.00 H new ATOM 1753 N GLU A 109 105.570 -1.148 -7.872 1.00 0.00 N ATOM 1754 CA GLU A 109 106.787 -1.726 -8.434 1.00 0.00 C ATOM 1755 C GLU A 109 107.450 -2.684 -7.450 1.00 0.00 C ATOM 1756 O GLU A 109 107.753 -3.828 -7.790 1.00 0.00 O ATOM 1757 CB GLU A 109 107.768 -0.618 -8.822 1.00 0.00 C ATOM 1758 CG GLU A 109 107.434 0.055 -10.144 1.00 0.00 C ATOM 1759 CD GLU A 109 108.323 -0.415 -11.277 1.00 0.00 C ATOM 1760 OE1 GLU A 109 109.552 -0.204 -11.194 1.00 0.00 O ATOM 1761 OE2 GLU A 109 107.792 -0.991 -12.250 1.00 0.00 O ATOM 0 H GLU A 109 105.561 -0.128 -7.843 1.00 0.00 H new ATOM 0 HA GLU A 109 106.509 -2.290 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.783 0.135 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.772 -1.038 -8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 109 106.393 -0.145 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 109 107.533 1.135 -10.033 1.00 0.00 H new ATOM 1768 N LEU A 110 107.671 -2.210 -6.230 1.00 0.00 N ATOM 1769 CA LEU A 110 108.302 -3.021 -5.194 1.00 0.00 C ATOM 1770 C LEU A 110 107.316 -4.027 -4.605 1.00 0.00 C ATOM 1771 O LEU A 110 107.647 -4.766 -3.679 1.00 0.00 O ATOM 1772 CB LEU A 110 108.858 -2.117 -4.093 1.00 0.00 C ATOM 1773 CG LEU A 110 109.762 -0.985 -4.584 1.00 0.00 C ATOM 1774 CD1 LEU A 110 110.892 -0.739 -3.598 1.00 0.00 C ATOM 1775 CD2 LEU A 110 110.315 -1.310 -5.963 1.00 0.00 C ATOM 0 H LEU A 110 107.422 -1.267 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 110 109.121 -3.580 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 110 108.023 -1.683 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.419 -2.731 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 110 109.168 -0.074 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 110 111.525 0.070 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 110 110.476 -0.464 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 110 111.487 -1.646 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.956 -0.495 -6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.895 -2.232 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.491 -1.436 -6.665 1.00 0.00 H new ATOM 1787 N ALA A 111 106.108 -4.055 -5.152 1.00 0.00 N ATOM 1788 CA ALA A 111 105.081 -4.973 -4.684 1.00 0.00 C ATOM 1789 C ALA A 111 104.591 -5.870 -5.816 1.00 0.00 C ATOM 1790 O ALA A 111 103.730 -6.725 -5.614 1.00 0.00 O ATOM 1791 CB ALA A 111 103.926 -4.199 -4.077 1.00 0.00 C ATOM 0 H ALA A 111 105.816 -3.452 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 111 105.517 -5.613 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.163 -4.896 -3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 111 104.287 -3.608 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.497 -3.536 -4.829 1.00 0.00 H new ATOM 1797 N LYS A 112 105.148 -5.671 -7.008 1.00 0.00 N ATOM 1798 CA LYS A 112 104.769 -6.465 -8.171 1.00 0.00 C ATOM 1799 C LYS A 112 105.919 -7.367 -8.610 1.00 0.00 C ATOM 1800 O LYS A 112 105.827 -8.056 -9.627 1.00 0.00 O ATOM 1801 CB LYS A 112 104.356 -5.552 -9.324 1.00 0.00 C ATOM 1802 CG LYS A 112 102.872 -5.603 -9.638 1.00 0.00 C ATOM 1803 CD LYS A 112 102.556 -4.902 -10.950 1.00 0.00 C ATOM 1804 CE LYS A 112 101.275 -4.089 -10.852 1.00 0.00 C ATOM 1805 NZ LYS A 112 100.202 -4.633 -11.729 1.00 0.00 N ATOM 0 H LYS A 112 105.863 -4.967 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 112 103.923 -7.093 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 112 104.632 -4.526 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 112 104.917 -5.830 -10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 112 102.546 -6.642 -9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 112 102.311 -5.134 -8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 112 103.384 -4.247 -11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 112 102.459 -5.641 -11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 112 100.929 -4.080 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 112 101.480 -3.055 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 99.346 -4.050 -11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 100.521 -4.618 -12.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 99.988 -5.612 -11.449 1.00 0.00 H new ATOM 1819 N SER A 113 107.003 -7.353 -7.841 1.00 0.00 N ATOM 1820 CA SER A 113 108.173 -8.164 -8.152 1.00 0.00 C ATOM 1821 C SER A 113 109.024 -8.394 -6.907 1.00 0.00 C ATOM 1822 O SER A 113 109.559 -9.483 -6.699 1.00 0.00 O ATOM 1823 CB SER A 113 109.012 -7.484 -9.234 1.00 0.00 C ATOM 1824 OG SER A 113 109.771 -8.432 -9.964 1.00 0.00 O ATOM 0 H SER A 113 107.095 -6.788 -6.997 1.00 0.00 H new ATOM 0 HA SER A 113 107.828 -9.131 -8.518 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.359 -6.936 -9.913 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.680 -6.755 -8.776 1.00 0.00 H new ATOM 0 HG SER A 113 110.297 -7.971 -10.651 1.00 0.00 H new ATOM 1830 N PHE A 114 109.149 -7.356 -6.086 1.00 0.00 N ATOM 1831 CA PHE A 114 109.939 -7.435 -4.864 1.00 0.00 C ATOM 1832 C PHE A 114 109.154 -8.098 -3.736 1.00 0.00 C ATOM 1833 O PHE A 114 109.594 -8.110 -2.587 1.00 0.00 O ATOM 1834 CB PHE A 114 110.382 -6.036 -4.437 1.00 0.00 C ATOM 1835 CG PHE A 114 111.363 -5.403 -5.381 1.00 0.00 C ATOM 1836 CD1 PHE A 114 110.941 -4.890 -6.597 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.707 -5.320 -5.054 1.00 0.00 C ATOM 1838 CE1 PHE A 114 111.839 -4.307 -7.468 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.611 -4.738 -5.922 1.00 0.00 C ATOM 1840 CZ PHE A 114 113.176 -4.231 -7.131 1.00 0.00 C ATOM 0 H PHE A 114 108.712 -6.448 -6.246 1.00 0.00 H new ATOM 0 HA PHE A 114 110.817 -8.048 -5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.504 -5.395 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.830 -6.093 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 114 109.897 -4.947 -6.867 1.00 0.00 H new ATOM 0 HD2 PHE A 114 113.052 -5.715 -4.110 1.00 0.00 H new ATOM 0 HE1 PHE A 114 111.496 -3.911 -8.412 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.656 -4.680 -5.656 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.880 -3.776 -7.812 1.00 0.00 H new ATOM 1850 N GLY A 115 107.991 -8.650 -4.067 1.00 0.00 N ATOM 1851 CA GLY A 115 107.172 -9.304 -3.065 1.00 0.00 C ATOM 1852 C GLY A 115 106.182 -10.282 -3.670 1.00 0.00 C ATOM 1853 O GLY A 115 106.568 -11.346 -4.154 1.00 0.00 O ATOM 0 H GLY A 115 107.602 -8.656 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.816 -9.833 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.630 -8.550 -2.495 1.00 0.00 H new ATOM 1857 N ALA A 116 104.905 -9.920 -3.640 1.00 0.00 N ATOM 1858 CA ALA A 116 103.855 -10.771 -4.187 1.00 0.00 C ATOM 1859 C ALA A 116 102.886 -9.964 -5.044 1.00 0.00 C ATOM 1860 O ALA A 116 102.795 -8.744 -4.915 1.00 0.00 O ATOM 1861 CB ALA A 116 103.109 -11.474 -3.064 1.00 0.00 C ATOM 0 H ALA A 116 104.571 -9.042 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 116 104.323 -11.522 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.328 -12.106 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.805 -12.089 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.658 -10.731 -2.406 1.00 0.00 H new ATOM 1867 N GLU A 117 102.162 -10.655 -5.919 1.00 0.00 N ATOM 1868 CA GLU A 117 101.198 -10.001 -6.797 1.00 0.00 C ATOM 1869 C GLU A 117 99.850 -9.837 -6.101 1.00 0.00 C ATOM 1870 O GLU A 117 99.530 -8.763 -5.593 1.00 0.00 O ATOM 1871 CB GLU A 117 101.025 -10.805 -8.088 1.00 0.00 C ATOM 1872 CG GLU A 117 101.388 -10.027 -9.341 1.00 0.00 C ATOM 1873 CD GLU A 117 100.678 -10.547 -10.575 1.00 0.00 C ATOM 1874 OE1 GLU A 117 101.092 -11.602 -11.099 1.00 0.00 O ATOM 1875 OE2 GLU A 117 99.708 -9.896 -11.020 1.00 0.00 O ATOM 0 H GLU A 117 102.224 -11.666 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 117 101.582 -9.011 -7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 117 101.644 -11.701 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 117 99.990 -11.137 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 117 101.137 -8.976 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 117 102.466 -10.079 -9.497 1.00 0.00 H new ATOM 1882 N ASP A 118 99.065 -10.912 -6.083 1.00 0.00 N ATOM 1883 CA ASP A 118 97.751 -10.895 -5.451 1.00 0.00 C ATOM 1884 C ASP A 118 97.084 -9.532 -5.611 1.00 0.00 C ATOM 1885 O ASP A 118 96.390 -9.283 -6.597 1.00 0.00 O ATOM 1886 CB ASP A 118 97.874 -11.248 -3.969 1.00 0.00 C ATOM 1887 CG ASP A 118 99.293 -11.101 -3.454 1.00 0.00 C ATOM 1888 OD1 ASP A 118 99.718 -9.954 -3.203 1.00 0.00 O ATOM 1889 OD2 ASP A 118 99.980 -12.134 -3.303 1.00 0.00 O ATOM 0 H ASP A 118 99.319 -11.807 -6.501 1.00 0.00 H new ATOM 0 HA ASP A 118 97.127 -11.640 -5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 118 97.212 -10.605 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 118 97.539 -12.273 -3.814 1.00 0.00 H new ATOM 1894 N SER A 119 97.299 -8.652 -4.638 1.00 0.00 N ATOM 1895 CA SER A 119 96.719 -7.315 -4.676 1.00 0.00 C ATOM 1896 C SER A 119 97.619 -6.358 -5.449 1.00 0.00 C ATOM 1897 O SER A 119 97.304 -5.962 -6.571 1.00 0.00 O ATOM 1898 CB SER A 119 96.495 -6.792 -3.256 1.00 0.00 C ATOM 1899 OG SER A 119 96.181 -7.849 -2.366 1.00 0.00 O ATOM 0 H SER A 119 97.870 -8.841 -3.814 1.00 0.00 H new ATOM 0 HA SER A 119 95.758 -7.375 -5.187 1.00 0.00 H new ATOM 0 HB2 SER A 119 97.390 -6.275 -2.910 1.00 0.00 H new ATOM 0 HB3 SER A 119 95.686 -6.062 -3.258 1.00 0.00 H new ATOM 0 HG SER A 119 96.044 -7.488 -1.465 1.00 0.00 H new ATOM 1905 N HIS A 120 98.744 -5.991 -4.842 1.00 0.00 N ATOM 1906 CA HIS A 120 99.695 -5.084 -5.473 1.00 0.00 C ATOM 1907 C HIS A 120 99.192 -3.643 -5.438 1.00 0.00 C ATOM 1908 O HIS A 120 99.893 -2.745 -4.980 1.00 0.00 O ATOM 1909 CB HIS A 120 99.957 -5.512 -6.919 1.00 0.00 C ATOM 1910 CG HIS A 120 99.180 -4.728 -7.930 1.00 0.00 C ATOM 1911 ND1 HIS A 120 98.204 -5.288 -8.729 1.00 0.00 N ATOM 1912 CD2 HIS A 120 99.238 -3.420 -8.273 1.00 0.00 C ATOM 1913 CE1 HIS A 120 97.698 -4.358 -9.519 1.00 0.00 C ATOM 1914 NE2 HIS A 120 98.308 -3.216 -9.262 1.00 0.00 N ATOM 0 H HIS A 120 99.019 -6.309 -3.913 1.00 0.00 H new ATOM 0 HA HIS A 120 100.627 -5.132 -4.911 1.00 0.00 H new ATOM 0 HB2 HIS A 120 101.021 -5.408 -7.132 1.00 0.00 H new ATOM 0 HB3 HIS A 120 99.712 -6.569 -7.026 1.00 0.00 H new ATOM 0 HD1 HIS A 120 97.918 -6.267 -8.712 1.00 0.00 H new ATOM 0 HD2 HIS A 120 99.894 -2.675 -7.848 1.00 0.00 H new ATOM 0 HE1 HIS A 120 96.918 -4.507 -10.251 1.00 0.00 H new ATOM 1923 N LYS A 121 97.975 -3.428 -5.928 1.00 0.00 N ATOM 1924 CA LYS A 121 97.387 -2.093 -5.953 1.00 0.00 C ATOM 1925 C LYS A 121 97.277 -1.513 -4.547 1.00 0.00 C ATOM 1926 O LYS A 121 97.499 -0.320 -4.337 1.00 0.00 O ATOM 1927 CB LYS A 121 96.005 -2.136 -6.609 1.00 0.00 C ATOM 1928 CG LYS A 121 94.982 -2.933 -5.818 1.00 0.00 C ATOM 1929 CD LYS A 121 93.561 -2.575 -6.225 1.00 0.00 C ATOM 1930 CE LYS A 121 93.414 -2.511 -7.736 1.00 0.00 C ATOM 1931 NZ LYS A 121 91.990 -2.387 -8.151 1.00 0.00 N ATOM 0 H LYS A 121 97.378 -4.160 -6.313 1.00 0.00 H new ATOM 0 HA LYS A 121 98.043 -1.448 -6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.640 -1.117 -6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 121 96.098 -2.568 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 121 95.149 -3.999 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 121 95.115 -2.743 -4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 121 92.869 -3.314 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 121 93.288 -1.613 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 121 93.979 -1.662 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 121 93.845 -3.408 -8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 91.933 -2.346 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 91.455 -3.210 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 91.585 -1.518 -7.748 1.00 0.00 H new ATOM 1945 N PHE A 122 96.932 -2.363 -3.586 1.00 0.00 N ATOM 1946 CA PHE A 122 96.787 -1.931 -2.201 1.00 0.00 C ATOM 1947 C PHE A 122 98.089 -1.336 -1.674 1.00 0.00 C ATOM 1948 O PHE A 122 98.074 -0.414 -0.858 1.00 0.00 O ATOM 1949 CB PHE A 122 96.359 -3.107 -1.320 1.00 0.00 C ATOM 1950 CG PHE A 122 97.255 -3.328 -0.135 1.00 0.00 C ATOM 1951 CD1 PHE A 122 98.361 -4.157 -0.230 1.00 0.00 C ATOM 1952 CD2 PHE A 122 96.991 -2.704 1.074 1.00 0.00 C ATOM 1953 CE1 PHE A 122 99.186 -4.361 0.860 1.00 0.00 C ATOM 1954 CE2 PHE A 122 97.813 -2.905 2.167 1.00 0.00 C ATOM 1955 CZ PHE A 122 98.912 -3.735 2.060 1.00 0.00 C ATOM 0 H PHE A 122 96.748 -3.354 -3.741 1.00 0.00 H new ATOM 0 HA PHE A 122 96.017 -1.160 -2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 122 95.342 -2.935 -0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 122 96.339 -4.014 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 122 98.581 -4.649 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 122 96.134 -2.053 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 122 100.045 -5.010 0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 122 97.596 -2.413 3.104 1.00 0.00 H new ATOM 0 HZ PHE A 122 99.555 -3.894 2.913 1.00 0.00 H new ATOM 1965 N VAL A 123 99.211 -1.866 -2.144 1.00 0.00 N ATOM 1966 CA VAL A 123 100.518 -1.383 -1.717 1.00 0.00 C ATOM 1967 C VAL A 123 100.710 0.087 -2.075 1.00 0.00 C ATOM 1968 O VAL A 123 101.282 0.854 -1.303 1.00 0.00 O ATOM 1969 CB VAL A 123 101.664 -2.220 -2.321 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.328 -3.701 -2.258 1.00 0.00 C ATOM 1971 CG2 VAL A 123 101.971 -1.799 -3.752 1.00 0.00 C ATOM 0 H VAL A 123 99.242 -2.629 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 123 100.551 -1.489 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 123 102.559 -2.038 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.146 -4.278 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 123 101.182 -3.997 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 123 100.415 -3.891 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 123 102.783 -2.410 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 123 101.083 -1.935 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.266 -0.750 -3.767 1.00 0.00 H new ATOM 1981 N ASN A 124 100.230 0.478 -3.248 1.00 0.00 N ATOM 1982 CA ASN A 124 100.359 1.858 -3.694 1.00 0.00 C ATOM 1983 C ASN A 124 99.733 2.813 -2.686 1.00 0.00 C ATOM 1984 O ASN A 124 100.315 3.845 -2.345 1.00 0.00 O ATOM 1985 CB ASN A 124 99.698 2.038 -5.062 1.00 0.00 C ATOM 1986 CG ASN A 124 98.457 2.904 -4.996 1.00 0.00 C ATOM 1987 OD1 ASN A 124 97.434 2.502 -4.441 1.00 0.00 O ATOM 1988 ND2 ASN A 124 98.539 4.103 -5.563 1.00 0.00 N ATOM 0 H ASN A 124 99.750 -0.138 -3.905 1.00 0.00 H new ATOM 0 HA ASN A 124 101.421 2.090 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.413 2.486 -5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.434 1.061 -5.466 1.00 0.00 H new ATOM 0 HD21 ASN A 124 97.735 4.730 -5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 124 99.406 4.396 -6.012 1.00 0.00 H new ATOM 1995 N GLY A 125 98.547 2.459 -2.208 1.00 0.00 N ATOM 1996 CA GLY A 125 97.855 3.297 -1.251 1.00 0.00 C ATOM 1997 C GLY A 125 98.640 3.496 0.028 1.00 0.00 C ATOM 1998 O GLY A 125 98.577 4.564 0.636 1.00 0.00 O ATOM 0 H GLY A 125 98.052 1.605 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.654 4.268 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.890 2.850 -1.014 1.00 0.00 H new ATOM 2002 N VAL A 126 99.395 2.483 0.436 1.00 0.00 N ATOM 2003 CA VAL A 126 100.192 2.591 1.649 1.00 0.00 C ATOM 2004 C VAL A 126 101.154 3.759 1.541 1.00 0.00 C ATOM 2005 O VAL A 126 101.328 4.524 2.489 1.00 0.00 O ATOM 2006 CB VAL A 126 101.002 1.313 1.933 1.00 0.00 C ATOM 2007 CG1 VAL A 126 100.278 0.080 1.413 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.399 1.431 1.335 1.00 0.00 C ATOM 0 H VAL A 126 99.471 1.589 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 126 99.493 2.744 2.471 1.00 0.00 H new ATOM 0 HB VAL A 126 101.102 1.199 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.872 -0.808 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 126 99.308 -0.006 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 126 100.134 0.170 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.962 0.521 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.323 1.572 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.913 2.284 1.777 1.00 0.00 H new ATOM 2018 N LEU A 127 101.769 3.904 0.372 1.00 0.00 N ATOM 2019 CA LEU A 127 102.699 4.994 0.144 1.00 0.00 C ATOM 2020 C LEU A 127 101.948 6.315 0.092 1.00 0.00 C ATOM 2021 O LEU A 127 102.471 7.355 0.483 1.00 0.00 O ATOM 2022 CB LEU A 127 103.489 4.773 -1.144 1.00 0.00 C ATOM 2023 CG LEU A 127 104.963 4.422 -0.938 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.738 4.595 -2.233 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.562 5.285 0.162 1.00 0.00 C ATOM 0 H LEU A 127 101.639 3.282 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 127 103.408 5.025 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 127 103.015 3.972 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 127 103.426 5.676 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 127 105.032 3.377 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.785 4.341 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 127 105.322 3.938 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.664 5.630 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.612 5.024 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 127 105.482 6.336 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 127 105.022 5.114 1.093 1.00 0.00 H new ATOM 2037 N ASP A 128 100.707 6.261 -0.384 1.00 0.00 N ATOM 2038 CA ASP A 128 99.879 7.453 -0.478 1.00 0.00 C ATOM 2039 C ASP A 128 99.660 8.047 0.905 1.00 0.00 C ATOM 2040 O ASP A 128 99.760 9.257 1.095 1.00 0.00 O ATOM 2041 CB ASP A 128 98.532 7.121 -1.125 1.00 0.00 C ATOM 2042 CG ASP A 128 97.797 8.359 -1.598 1.00 0.00 C ATOM 2043 OD1 ASP A 128 97.952 9.422 -0.961 1.00 0.00 O ATOM 2044 OD2 ASP A 128 97.065 8.265 -2.606 1.00 0.00 O ATOM 0 H ASP A 128 100.256 5.406 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 128 100.393 8.184 -1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.693 6.452 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.910 6.584 -0.408 1.00 0.00 H new ATOM 2049 N LYS A 129 99.369 7.185 1.872 1.00 0.00 N ATOM 2050 CA LYS A 129 99.153 7.624 3.243 1.00 0.00 C ATOM 2051 C LYS A 129 100.482 7.901 3.942 1.00 0.00 C ATOM 2052 O LYS A 129 100.623 8.895 4.656 1.00 0.00 O ATOM 2053 CB LYS A 129 98.364 6.568 4.021 1.00 0.00 C ATOM 2054 CG LYS A 129 97.249 5.924 3.214 1.00 0.00 C ATOM 2055 CD LYS A 129 96.130 6.911 2.924 1.00 0.00 C ATOM 2056 CE LYS A 129 94.827 6.485 3.581 1.00 0.00 C ATOM 2057 NZ LYS A 129 93.865 5.921 2.594 1.00 0.00 N ATOM 0 H LYS A 129 99.277 6.179 1.731 1.00 0.00 H new ATOM 0 HA LYS A 129 98.578 8.550 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 129 99.050 5.792 4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.937 7.029 4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.651 5.542 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.850 5.070 3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 129 96.414 7.900 3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 129 95.986 6.993 1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 129 95.035 5.742 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 129 94.375 7.342 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 92.990 5.643 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 93.646 6.638 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 94.286 5.087 2.136 1.00 0.00 H new ATOM 2071 N ALA A 130 101.452 7.010 3.740 1.00 0.00 N ATOM 2072 CA ALA A 130 102.767 7.151 4.362 1.00 0.00 C ATOM 2073 C ALA A 130 103.595 8.274 3.736 1.00 0.00 C ATOM 2074 O ALA A 130 104.259 9.030 4.444 1.00 0.00 O ATOM 2075 CB ALA A 130 103.525 5.834 4.279 1.00 0.00 C ATOM 0 H ALA A 130 101.352 6.183 3.151 1.00 0.00 H new ATOM 0 HA ALA A 130 102.603 7.418 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.504 5.948 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.964 5.058 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.651 5.552 3.234 1.00 0.00 H new ATOM 2081 N ALA A 131 103.571 8.366 2.410 1.00 0.00 N ATOM 2082 CA ALA A 131 104.344 9.383 1.700 1.00 0.00 C ATOM 2083 C ALA A 131 104.188 10.762 2.332 1.00 0.00 C ATOM 2084 O ALA A 131 105.154 11.348 2.820 1.00 0.00 O ATOM 2085 CB ALA A 131 103.950 9.422 0.230 1.00 0.00 C ATOM 0 H ALA A 131 103.027 7.751 1.805 1.00 0.00 H new ATOM 0 HA ALA A 131 105.396 9.106 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.535 10.185 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 131 104.142 8.450 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.890 9.659 0.144 1.00 0.00 H new ATOM 2091 N PRO A 132 102.962 11.294 2.327 1.00 0.00 N ATOM 2092 CA PRO A 132 102.655 12.610 2.896 1.00 0.00 C ATOM 2093 C PRO A 132 103.156 12.760 4.329 1.00 0.00 C ATOM 2094 O PRO A 132 103.265 13.872 4.846 1.00 0.00 O ATOM 2095 CB PRO A 132 101.119 12.672 2.854 1.00 0.00 C ATOM 2096 CG PRO A 132 100.674 11.274 2.575 1.00 0.00 C ATOM 2097 CD PRO A 132 101.771 10.656 1.768 1.00 0.00 C ATOM 0 HA PRO A 132 103.142 13.412 2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.714 13.032 3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 132 100.774 13.356 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.510 10.723 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.732 11.265 2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.799 9.572 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.660 10.863 0.704 1.00 0.00 H new ATOM 2105 N VAL A 133 103.457 11.634 4.969 1.00 0.00 N ATOM 2106 CA VAL A 133 103.942 11.641 6.341 1.00 0.00 C ATOM 2107 C VAL A 133 105.319 12.292 6.443 1.00 0.00 C ATOM 2108 O VAL A 133 105.497 13.276 7.161 1.00 0.00 O ATOM 2109 CB VAL A 133 104.014 10.214 6.908 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.309 10.249 8.397 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.719 9.467 6.631 1.00 0.00 C ATOM 0 H VAL A 133 103.373 10.705 4.557 1.00 0.00 H new ATOM 0 HA VAL A 133 103.232 12.225 6.926 1.00 0.00 H new ATOM 0 HB VAL A 133 104.827 9.683 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.357 9.231 8.783 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.264 10.746 8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 133 103.519 10.795 8.912 1.00 0.00 H new ATOM 0 HG21 VAL A 133 102.786 8.458 7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.888 9.993 7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 133 102.553 9.413 5.555 1.00 0.00 H new ATOM 2121 N ILE A 134 106.292 11.740 5.723 1.00 0.00 N ATOM 2122 CA ILE A 134 107.651 12.276 5.742 1.00 0.00 C ATOM 2123 C ILE A 134 107.677 13.708 5.218 1.00 0.00 C ATOM 2124 O ILE A 134 108.509 14.516 5.631 1.00 0.00 O ATOM 2125 CB ILE A 134 108.615 11.418 4.898 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.237 10.312 5.754 1.00 0.00 C ATOM 2127 CG2 ILE A 134 109.695 12.293 4.283 1.00 0.00 C ATOM 2128 CD1 ILE A 134 108.320 9.131 5.959 1.00 0.00 C ATOM 0 H ILE A 134 106.166 10.926 5.122 1.00 0.00 H new ATOM 0 HA ILE A 134 107.982 12.258 6.780 1.00 0.00 H new ATOM 0 HB ILE A 134 108.051 10.948 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.158 9.971 5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.511 10.724 6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 134 110.369 11.676 3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 134 109.233 13.045 3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 134 110.258 12.787 5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 134 108.821 8.383 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 134 107.409 9.460 6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 134 108.066 8.695 4.993 1.00 0.00 H new ATOM 2140 N ARG A 135 106.760 14.015 4.306 1.00 0.00 N ATOM 2141 CA ARG A 135 106.677 15.349 3.724 1.00 0.00 C ATOM 2142 C ARG A 135 105.223 15.758 3.507 1.00 0.00 C ATOM 2143 O ARG A 135 104.746 15.814 2.374 1.00 0.00 O ATOM 2144 CB ARG A 135 107.437 15.398 2.398 1.00 0.00 C ATOM 2145 CG ARG A 135 107.789 16.807 1.950 1.00 0.00 C ATOM 2146 CD ARG A 135 107.328 17.071 0.527 1.00 0.00 C ATOM 2147 NE ARG A 135 108.190 18.029 -0.160 1.00 0.00 N ATOM 2148 CZ ARG A 135 108.035 18.381 -1.432 1.00 0.00 C ATOM 2149 NH1 ARG A 135 107.052 17.855 -2.152 1.00 0.00 N ATOM 2150 NH2 ARG A 135 108.861 19.258 -1.986 1.00 0.00 N ATOM 0 H ARG A 135 106.064 13.358 3.954 1.00 0.00 H new ATOM 0 HA ARG A 135 107.133 16.052 4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 135 108.354 14.816 2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 135 106.834 14.920 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 135 107.327 17.530 2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 135 108.867 16.952 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 135 107.313 16.133 -0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 135 106.306 17.449 0.542 1.00 0.00 H new ATOM 0 HE ARG A 135 108.954 18.452 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 135 106.415 17.180 -1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 135 106.934 18.126 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 135 109.618 19.664 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 135 108.740 19.526 -2.963 1.00 0.00 H new ATOM 2164 N PRO A 136 104.500 16.046 4.600 1.00 0.00 N ATOM 2165 CA PRO A 136 103.094 16.449 4.546 1.00 0.00 C ATOM 2166 C PRO A 136 102.921 17.895 4.092 1.00 0.00 C ATOM 2167 O PRO A 136 102.180 18.663 4.705 1.00 0.00 O ATOM 2168 CB PRO A 136 102.609 16.288 5.999 1.00 0.00 C ATOM 2169 CG PRO A 136 103.747 15.666 6.747 1.00 0.00 C ATOM 2170 CD PRO A 136 104.991 15.996 5.975 1.00 0.00 C ATOM 0 HA PRO A 136 102.534 15.851 3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 136 102.340 17.252 6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 136 101.720 15.658 6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 136 103.805 16.058 7.763 1.00 0.00 H new ATOM 0 HG3 PRO A 136 103.615 14.587 6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 136 105.423 16.947 6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 136 105.763 15.237 6.104 1.00 0.00 H new ATOM 2178 N ASN A 137 103.609 18.260 3.016 1.00 0.00 N ATOM 2179 CA ASN A 137 103.529 19.616 2.482 1.00 0.00 C ATOM 2180 C ASN A 137 103.435 19.596 0.961 1.00 0.00 C ATOM 2181 O ASN A 137 104.448 19.514 0.266 1.00 0.00 O ATOM 2182 CB ASN A 137 104.749 20.429 2.918 1.00 0.00 C ATOM 2183 CG ASN A 137 104.405 21.878 3.204 1.00 0.00 C ATOM 2184 OD1 ASN A 137 103.264 22.205 3.531 1.00 0.00 O ATOM 2185 ND2 ASN A 137 105.395 22.756 3.082 1.00 0.00 N ATOM 0 H ASN A 137 104.228 17.637 2.496 1.00 0.00 H new ATOM 0 HA ASN A 137 102.628 20.084 2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 137 105.183 19.978 3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 137 105.509 20.386 2.138 1.00 0.00 H new ATOM 0 HD21 ASN A 137 105.224 23.745 3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 137 106.326 22.441 2.809 1.00 0.00 H new ATOM 2192 N LYS A 138 102.211 19.671 0.448 1.00 0.00 N ATOM 2193 CA LYS A 138 101.982 19.662 -0.992 1.00 0.00 C ATOM 2194 C LYS A 138 102.913 20.644 -1.697 1.00 0.00 C ATOM 2195 O LYS A 138 102.839 21.853 -1.475 1.00 0.00 O ATOM 2196 CB LYS A 138 100.525 20.010 -1.301 1.00 0.00 C ATOM 2197 CG LYS A 138 100.352 21.369 -1.960 1.00 0.00 C ATOM 2198 CD LYS A 138 98.888 21.668 -2.240 1.00 0.00 C ATOM 2199 CE LYS A 138 98.196 20.489 -2.906 1.00 0.00 C ATOM 2200 NZ LYS A 138 97.069 20.925 -3.775 1.00 0.00 N ATOM 0 H LYS A 138 101.362 19.739 1.009 1.00 0.00 H new ATOM 0 HA LYS A 138 102.194 18.659 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 138 100.107 19.243 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 138 99.950 19.988 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 138 100.766 22.143 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 138 100.915 21.397 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 138 98.380 21.910 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 138 98.811 22.546 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 138 98.920 19.933 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 138 97.822 19.808 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 96.624 20.092 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 96.366 21.434 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 97.429 21.554 -4.521 1.00 0.00 H new ATOM 2214 N LYS A 139 103.787 20.116 -2.547 1.00 0.00 N ATOM 2215 CA LYS A 139 104.732 20.946 -3.286 1.00 0.00 C ATOM 2216 C LYS A 139 105.420 20.143 -4.385 1.00 0.00 C ATOM 2217 O LYS A 139 105.564 20.676 -5.505 1.00 0.00 O ATOM 2218 CB LYS A 139 105.778 21.532 -2.336 1.00 0.00 C ATOM 2219 CG LYS A 139 107.127 21.775 -2.992 1.00 0.00 C ATOM 2220 CD LYS A 139 108.146 22.299 -1.992 1.00 0.00 C ATOM 2221 CE LYS A 139 108.795 23.583 -2.482 1.00 0.00 C ATOM 2222 NZ LYS A 139 109.922 23.314 -3.418 1.00 0.00 N ATOM 2223 OXT LYS A 139 105.809 18.987 -4.115 1.00 0.00 O ATOM 0 H LYS A 139 103.861 19.117 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 139 104.176 21.760 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 139 105.404 22.473 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 139 105.910 20.855 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 139 107.491 20.847 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 139 107.013 22.491 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 139 107.658 22.479 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 139 108.913 21.544 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 139 108.048 24.200 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 139 109.161 24.154 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 110.338 24.215 -3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 110.647 22.747 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 109.569 22.792 -4.245 1.00 0.00 H new TER 2237 LYS A 139