USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 970 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 71 THR OG1 : rot 137:sc= -2.11! USER MOD Set 1.2: A 73 HIS : no HD1:sc= -11.9! C(o=-36!,f=-40!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -22.5! C(o=-36!,f=-47!) USER MOD Set 2.1: A 60 ASN : amide:sc= -8.36! C(o=-16!,f=-14!) USER MOD Set 2.2: A 65 ASN : amide:sc= -7.7! C(o=-16!,f=-14!) USER MOD Set 3.1: A 57 SER OG : rot 16:sc= -1.99! USER MOD Set 3.2: A 59 HIS : no HE2:sc= -7.67! C(o=-9.7!,f=-13!) USER MOD Set 4.1: A 44 TYR OH : rot 154:sc= -0.108! USER MOD Set 4.2: A 119 SER OG : rot 180:sc= 0.0827 USER MOD Set 5.1: A 35 THR OG1 : rot 92:sc= -5.1! USER MOD Set 5.2: A 36 THR OG1 : rot 120:sc= -0.803 USER MOD Set 6.1: A 20 HIS : no HD1:sc= -6.55! C(o=-7!,f=-5.7!) USER MOD Set 6.2: A 96 LYS NZ :NH3+ 140:sc= -0.417 (180deg=-1.4) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -170:sc= -1.37 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 44:sc= 0.635 USER MOD Single : A 30 CYS SG : rot 20:sc= -3.91 USER MOD Single : A 34 TYR OH : rot 130:sc= -3.29! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= -0.633! (180deg=-2.13) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 175:sc= -0.901 (180deg=-1.01) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0.882 (180deg=0.849) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 171:sc= -1.5! USER MOD Single : A 61 SER OG : rot 150:sc= -1.39 USER MOD Single : A 62 TYR OH : rot 22:sc= 0.631 USER MOD Single : A 63 ASN : amide:sc= -2.29 K(o=-2.3,f=-0.73) USER MOD Single : A 64 HIS : no HD1:sc= -14.1! C(o=-14!,f=-16!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 82 ASN : amide:sc= -0.322 K(o=-0.32,f=-3.2!) USER MOD Single : A 83 TYR OH : rot -20:sc= -5.09! USER MOD Single : A 85 GLN : amide:sc= -0.217 K(o=-0.22,f=-1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -73:sc= 0.112 USER MOD Single : A 89 THR OG1 : rot -46:sc= 0.926 USER MOD Single : A 91 SER OG : rot 74:sc= 0.288 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.211 USER MOD Single : A 99 ASN : amide:sc= -0.501 K(o=-0.5,f=-5.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -134:sc= -4.84! (180deg=-12!) USER MOD Single : A 105 TYR OH : rot 7:sc= -0.299 USER MOD Single : A 106 SER OG : rot -96:sc= 0.0356! USER MOD Single : A 109 THR OG1 : rot -25:sc= 0.803 USER MOD Single : A 114 SER OG : rot 180:sc= 0.091 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 109.259 -5.205 18.382 1.00 0.00 N ATOM 75 CA ASP A 6 108.594 -5.082 17.053 1.00 0.00 C ATOM 76 C ASP A 6 108.516 -3.603 16.659 1.00 0.00 C ATOM 77 O ASP A 6 108.273 -2.755 17.494 1.00 0.00 O ATOM 78 CB ASP A 6 107.181 -5.664 17.133 1.00 0.00 C ATOM 79 CG ASP A 6 106.398 -5.278 15.876 1.00 0.00 C ATOM 80 OD1 ASP A 6 105.973 -4.138 15.794 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.239 -6.129 15.017 1.00 0.00 O ATOM 0 HA ASP A 6 109.169 -5.629 16.306 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.228 -6.749 17.226 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.672 -5.289 18.021 1.00 0.00 H new ATOM 86 N PRO A 7 108.727 -3.337 15.394 1.00 0.00 N ATOM 87 CA PRO A 7 108.688 -1.966 14.854 1.00 0.00 C ATOM 88 C PRO A 7 107.240 -1.507 14.660 1.00 0.00 C ATOM 89 O PRO A 7 106.447 -2.177 14.030 1.00 0.00 O ATOM 90 CB PRO A 7 109.408 -2.090 13.509 1.00 0.00 C ATOM 91 CG PRO A 7 109.309 -3.579 13.098 1.00 0.00 C ATOM 92 CD PRO A 7 109.023 -4.375 14.385 1.00 0.00 C ATOM 0 HA PRO A 7 109.151 -1.232 15.513 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.945 -1.448 12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.449 -1.779 13.595 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.514 -3.727 12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.236 -3.915 12.633 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.181 -5.055 14.254 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.880 -4.982 14.677 1.00 0.00 H new ATOM 100 N LYS A 8 106.892 -0.368 15.193 1.00 0.00 N ATOM 101 CA LYS A 8 105.497 0.133 15.036 1.00 0.00 C ATOM 102 C LYS A 8 105.447 1.154 13.897 1.00 0.00 C ATOM 103 O LYS A 8 104.424 1.758 13.637 1.00 0.00 O ATOM 104 CB LYS A 8 105.045 0.800 16.337 1.00 0.00 C ATOM 105 CG LYS A 8 105.790 2.125 16.515 1.00 0.00 C ATOM 106 CD LYS A 8 106.071 2.355 18.002 1.00 0.00 C ATOM 107 CE LYS A 8 104.757 2.646 18.730 1.00 0.00 C ATOM 108 NZ LYS A 8 104.627 1.733 19.900 1.00 0.00 N ATOM 0 H LYS A 8 107.513 0.237 15.730 1.00 0.00 H new ATOM 0 HA LYS A 8 104.835 -0.702 14.806 1.00 0.00 H new ATOM 0 HB2 LYS A 8 103.969 0.975 16.314 1.00 0.00 H new ATOM 0 HB3 LYS A 8 105.243 0.142 17.183 1.00 0.00 H new ATOM 0 HG2 LYS A 8 106.725 2.107 15.956 1.00 0.00 H new ATOM 0 HG3 LYS A 8 105.195 2.946 16.115 1.00 0.00 H new ATOM 0 HD2 LYS A 8 106.551 1.476 18.433 1.00 0.00 H new ATOM 0 HD3 LYS A 8 106.761 3.189 18.128 1.00 0.00 H new ATOM 0 HE2 LYS A 8 104.734 3.684 19.061 1.00 0.00 H new ATOM 0 HE3 LYS A 8 103.915 2.509 18.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 103.734 1.929 20.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 104.631 0.746 19.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 105.425 1.885 20.550 1.00 0.00 H new ATOM 122 N ASP A 9 106.542 1.354 13.213 1.00 0.00 N ATOM 123 CA ASP A 9 106.554 2.337 12.092 1.00 0.00 C ATOM 124 C ASP A 9 107.962 2.412 11.498 1.00 0.00 C ATOM 125 O ASP A 9 108.798 1.567 11.750 1.00 0.00 O ATOM 126 CB ASP A 9 106.147 3.715 12.618 1.00 0.00 C ATOM 127 CG ASP A 9 104.907 4.202 11.867 1.00 0.00 C ATOM 128 OD1 ASP A 9 103.996 3.410 11.693 1.00 0.00 O ATOM 129 OD2 ASP A 9 104.888 5.359 11.480 1.00 0.00 O ATOM 0 H ASP A 9 107.428 0.879 13.383 1.00 0.00 H new ATOM 0 HA ASP A 9 105.850 2.021 11.322 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.940 3.661 13.687 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.966 4.422 12.487 1.00 0.00 H new ATOM 134 N PHE A 10 108.234 3.418 10.710 1.00 0.00 N ATOM 135 CA PHE A 10 109.588 3.543 10.104 1.00 0.00 C ATOM 136 C PHE A 10 110.530 4.222 11.102 1.00 0.00 C ATOM 137 O PHE A 10 110.093 4.978 11.947 1.00 0.00 O ATOM 138 CB PHE A 10 109.503 4.389 8.830 1.00 0.00 C ATOM 139 CG PHE A 10 108.972 3.544 7.697 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.767 2.847 7.847 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.684 3.459 6.494 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.274 2.066 6.795 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.192 2.677 5.443 1.00 0.00 C ATOM 144 CZ PHE A 10 107.987 1.981 5.593 1.00 0.00 C ATOM 0 H PHE A 10 107.577 4.157 10.461 1.00 0.00 H new ATOM 0 HA PHE A 10 109.968 2.552 9.857 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.851 5.247 8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.488 4.781 8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.218 2.912 8.775 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.613 3.997 6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.344 1.529 6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.742 2.611 4.516 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.607 1.378 4.781 1.00 0.00 H new ATOM 154 N PRO A 11 111.799 3.933 10.972 1.00 0.00 N ATOM 155 CA PRO A 11 112.835 4.502 11.850 1.00 0.00 C ATOM 156 C PRO A 11 113.145 5.944 11.439 1.00 0.00 C ATOM 157 O PRO A 11 113.155 6.279 10.271 1.00 0.00 O ATOM 158 CB PRO A 11 114.043 3.590 11.619 1.00 0.00 C ATOM 159 CG PRO A 11 113.825 2.918 10.241 1.00 0.00 C ATOM 160 CD PRO A 11 112.317 3.013 9.939 1.00 0.00 C ATOM 0 HA PRO A 11 112.538 4.544 12.898 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.970 4.163 11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.122 2.842 12.408 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.407 3.420 9.468 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.152 1.878 10.261 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.135 3.398 8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.836 2.036 9.998 1.00 0.00 H new ATOM 168 N SER A 12 113.396 6.801 12.391 1.00 0.00 N ATOM 169 CA SER A 12 113.701 8.223 12.062 1.00 0.00 C ATOM 170 C SER A 12 114.678 8.286 10.885 1.00 0.00 C ATOM 171 O SER A 12 114.736 9.265 10.168 1.00 0.00 O ATOM 172 CB SER A 12 114.328 8.904 13.279 1.00 0.00 C ATOM 173 OG SER A 12 115.214 9.926 12.841 1.00 0.00 O ATOM 0 H SER A 12 113.403 6.577 13.386 1.00 0.00 H new ATOM 0 HA SER A 12 112.777 8.734 11.791 1.00 0.00 H new ATOM 0 HB2 SER A 12 113.550 9.329 13.914 1.00 0.00 H new ATOM 0 HB3 SER A 12 114.867 8.173 13.882 1.00 0.00 H new ATOM 0 HG SER A 12 115.616 10.366 13.619 1.00 0.00 H new ATOM 179 N GLU A 13 115.450 7.254 10.682 1.00 0.00 N ATOM 180 CA GLU A 13 116.422 7.260 9.556 1.00 0.00 C ATOM 181 C GLU A 13 115.702 7.592 8.244 1.00 0.00 C ATOM 182 O GLU A 13 116.091 8.492 7.525 1.00 0.00 O ATOM 183 CB GLU A 13 117.075 5.882 9.445 1.00 0.00 C ATOM 184 CG GLU A 13 118.419 5.893 10.176 1.00 0.00 C ATOM 185 CD GLU A 13 118.481 4.712 11.147 1.00 0.00 C ATOM 186 OE1 GLU A 13 117.612 4.626 12.000 1.00 0.00 O ATOM 187 OE2 GLU A 13 119.396 3.915 11.022 1.00 0.00 O ATOM 0 H GLU A 13 115.449 6.406 11.249 1.00 0.00 H new ATOM 0 HA GLU A 13 117.185 8.015 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 13 116.422 5.123 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.221 5.621 8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.236 5.830 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.543 6.830 10.718 1.00 0.00 H new ATOM 194 N LEU A 14 114.660 6.873 7.918 1.00 0.00 N ATOM 195 CA LEU A 14 113.932 7.155 6.647 1.00 0.00 C ATOM 196 C LEU A 14 112.817 8.172 6.899 1.00 0.00 C ATOM 197 O LEU A 14 112.026 8.469 6.026 1.00 0.00 O ATOM 198 CB LEU A 14 113.321 5.861 6.097 1.00 0.00 C ATOM 199 CG LEU A 14 114.422 4.824 5.851 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.641 5.496 5.213 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.825 4.191 7.183 1.00 0.00 C ATOM 0 H LEU A 14 114.283 6.106 8.475 1.00 0.00 H new ATOM 0 HA LEU A 14 114.637 7.561 5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 14 112.589 5.466 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.790 6.066 5.168 1.00 0.00 H new ATOM 0 HG LEU A 14 114.048 4.054 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.419 4.752 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 14 115.353 5.945 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 14 116.020 6.270 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 14 115.608 3.452 7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 14 115.196 4.964 7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 14 113.959 3.704 7.631 1.00 0.00 H new ATOM 213 N LEU A 15 112.746 8.712 8.084 1.00 0.00 N ATOM 214 CA LEU A 15 111.681 9.710 8.382 1.00 0.00 C ATOM 215 C LEU A 15 112.099 11.083 7.842 1.00 0.00 C ATOM 216 O LEU A 15 111.444 12.078 8.079 1.00 0.00 O ATOM 217 CB LEU A 15 111.470 9.795 9.895 1.00 0.00 C ATOM 218 CG LEU A 15 110.874 8.480 10.404 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.387 8.662 11.842 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.696 8.074 9.515 1.00 0.00 C ATOM 0 H LEU A 15 113.378 8.506 8.858 1.00 0.00 H new ATOM 0 HA LEU A 15 110.751 9.402 7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.418 9.994 10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.804 10.624 10.134 1.00 0.00 H new ATOM 0 HG LEU A 15 111.637 7.702 10.374 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.963 7.725 12.204 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.225 8.950 12.476 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.625 9.441 11.872 1.00 0.00 H new ATOM 0 HD21 LEU A 15 109.272 7.138 9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.934 8.853 9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 15 110.042 7.942 8.490 1.00 0.00 H new ATOM 232 N SER A 16 113.184 11.142 7.117 1.00 0.00 N ATOM 233 CA SER A 16 113.641 12.448 6.562 1.00 0.00 C ATOM 234 C SER A 16 112.949 12.706 5.221 1.00 0.00 C ATOM 235 O SER A 16 112.878 13.825 4.754 1.00 0.00 O ATOM 236 CB SER A 16 115.155 12.412 6.354 1.00 0.00 C ATOM 237 OG SER A 16 115.756 13.468 7.092 1.00 0.00 O ATOM 0 H SER A 16 113.773 10.342 6.885 1.00 0.00 H new ATOM 0 HA SER A 16 113.388 13.246 7.260 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.556 11.452 6.679 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.391 12.513 5.295 1.00 0.00 H new ATOM 0 HG SER A 16 116.727 13.447 6.962 1.00 0.00 H new ATOM 243 N PHE A 17 112.435 11.679 4.599 1.00 0.00 N ATOM 244 CA PHE A 17 111.745 11.872 3.292 1.00 0.00 C ATOM 245 C PHE A 17 110.651 10.815 3.124 1.00 0.00 C ATOM 246 O PHE A 17 110.810 9.852 2.400 1.00 0.00 O ATOM 247 CB PHE A 17 112.753 11.752 2.142 1.00 0.00 C ATOM 248 CG PHE A 17 113.781 10.680 2.443 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.448 9.579 3.243 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.071 10.788 1.908 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.403 8.593 3.508 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.025 9.800 2.172 1.00 0.00 C ATOM 253 CZ PHE A 17 115.691 8.702 2.973 1.00 0.00 C ATOM 0 H PHE A 17 112.463 10.718 4.939 1.00 0.00 H new ATOM 0 HA PHE A 17 111.297 12.865 3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.230 11.512 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.252 12.709 1.987 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.453 9.492 3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.329 11.636 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.146 7.746 4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.019 9.884 1.758 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.427 7.939 3.178 1.00 0.00 H new ATOM 263 N LEU A 18 109.538 10.985 3.786 1.00 0.00 N ATOM 264 CA LEU A 18 108.437 9.988 3.661 1.00 0.00 C ATOM 265 C LEU A 18 107.096 10.719 3.566 1.00 0.00 C ATOM 266 O LEU A 18 107.043 11.924 3.427 1.00 0.00 O ATOM 267 CB LEU A 18 108.433 9.073 4.888 1.00 0.00 C ATOM 268 CG LEU A 18 109.221 7.799 4.578 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.205 6.878 5.800 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.578 7.078 3.391 1.00 0.00 C ATOM 0 H LEU A 18 109.344 11.770 4.407 1.00 0.00 H new ATOM 0 HA LEU A 18 108.590 9.390 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.875 9.588 5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.409 8.822 5.164 1.00 0.00 H new ATOM 0 HG LEU A 18 110.250 8.060 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.767 5.970 5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.661 7.390 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 18 108.176 6.617 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 18 109.139 6.170 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 18 107.549 6.818 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 18 108.588 7.732 2.519 1.00 0.00 H new ATOM 282 N SER A 19 106.009 9.997 3.639 1.00 0.00 N ATOM 283 CA SER A 19 104.672 10.650 3.552 1.00 0.00 C ATOM 284 C SER A 19 104.031 10.682 4.941 1.00 0.00 C ATOM 285 O SER A 19 103.672 11.727 5.444 1.00 0.00 O ATOM 286 CB SER A 19 103.778 9.861 2.596 1.00 0.00 C ATOM 287 OG SER A 19 102.509 10.496 2.507 1.00 0.00 O ATOM 0 H SER A 19 105.990 8.984 3.755 1.00 0.00 H new ATOM 0 HA SER A 19 104.789 11.668 3.181 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.240 9.806 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.661 8.837 2.951 1.00 0.00 H new ATOM 0 HG SER A 19 101.934 9.993 1.893 1.00 0.00 H new ATOM 293 N HIS A 20 103.888 9.539 5.562 1.00 0.00 N ATOM 294 CA HIS A 20 103.274 9.488 6.922 1.00 0.00 C ATOM 295 C HIS A 20 101.748 9.557 6.805 1.00 0.00 C ATOM 296 O HIS A 20 101.057 8.580 7.015 1.00 0.00 O ATOM 297 CB HIS A 20 103.778 10.665 7.761 1.00 0.00 C ATOM 298 CG HIS A 20 105.236 10.896 7.472 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.228 10.054 7.949 1.00 0.00 N ATOM 300 CD2 HIS A 20 105.886 11.872 6.757 1.00 0.00 C ATOM 301 CE1 HIS A 20 107.409 10.533 7.519 1.00 0.00 C ATOM 302 NE2 HIS A 20 107.257 11.641 6.788 1.00 0.00 N ATOM 0 H HIS A 20 104.172 8.635 5.183 1.00 0.00 H new ATOM 0 HA HIS A 20 103.556 8.553 7.406 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.204 11.562 7.531 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.634 10.458 8.821 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.405 12.694 6.248 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.364 10.078 7.738 1.00 0.00 H new ATOM 0 HE2 HIS A 20 107.989 12.198 6.347 1.00 0.00 H new ATOM 310 N ALA A 21 101.216 10.703 6.475 1.00 0.00 N ATOM 311 CA ALA A 21 99.735 10.831 6.349 1.00 0.00 C ATOM 312 C ALA A 21 99.176 9.614 5.609 1.00 0.00 C ATOM 313 O ALA A 21 99.596 9.293 4.516 1.00 0.00 O ATOM 314 CB ALA A 21 99.399 12.102 5.567 1.00 0.00 C ATOM 0 H ALA A 21 101.743 11.556 6.287 1.00 0.00 H new ATOM 0 HA ALA A 21 99.290 10.886 7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.317 12.197 5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.795 12.969 6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.845 12.047 4.574 1.00 0.00 H new ATOM 320 N VAL A 22 98.231 8.932 6.199 1.00 0.00 N ATOM 321 CA VAL A 22 97.646 7.736 5.530 1.00 0.00 C ATOM 322 C VAL A 22 96.311 8.115 4.887 1.00 0.00 C ATOM 323 O VAL A 22 95.855 7.478 3.957 1.00 0.00 O ATOM 324 CB VAL A 22 97.420 6.631 6.564 1.00 0.00 C ATOM 325 CG1 VAL A 22 97.473 5.267 5.873 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.511 6.702 7.635 1.00 0.00 C ATOM 0 H VAL A 22 97.840 9.152 7.115 1.00 0.00 H new ATOM 0 HA VAL A 22 98.331 7.378 4.762 1.00 0.00 H new ATOM 0 HB VAL A 22 96.444 6.765 7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 22 97.312 4.480 6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.696 5.215 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 22 98.449 5.133 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.350 5.915 8.371 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.487 6.569 7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.474 7.673 8.128 1.00 0.00 H new ATOM 336 N PHE A 23 95.680 9.148 5.375 1.00 0.00 N ATOM 337 CA PHE A 23 94.375 9.568 4.792 1.00 0.00 C ATOM 338 C PHE A 23 94.537 10.926 4.106 1.00 0.00 C ATOM 339 O PHE A 23 93.618 11.719 4.052 1.00 0.00 O ATOM 340 CB PHE A 23 93.331 9.680 5.905 1.00 0.00 C ATOM 341 CG PHE A 23 92.556 8.388 6.002 1.00 0.00 C ATOM 342 CD1 PHE A 23 93.233 7.163 6.008 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.158 8.414 6.084 1.00 0.00 C ATOM 344 CE1 PHE A 23 92.514 5.964 6.098 1.00 0.00 C ATOM 345 CE2 PHE A 23 90.438 7.217 6.174 1.00 0.00 C ATOM 346 CZ PHE A 23 91.116 5.992 6.181 1.00 0.00 C ATOM 0 H PHE A 23 96.012 9.719 6.152 1.00 0.00 H new ATOM 0 HA PHE A 23 94.048 8.828 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.819 9.896 6.855 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.653 10.508 5.700 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.311 7.142 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 23 90.635 9.359 6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 23 93.037 5.019 6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 23 89.360 7.238 6.238 1.00 0.00 H new ATOM 0 HZ PHE A 23 90.561 5.068 6.250 1.00 0.00 H new ATOM 356 N SER A 24 95.702 11.201 3.585 1.00 0.00 N ATOM 357 CA SER A 24 95.925 12.508 2.905 1.00 0.00 C ATOM 358 C SER A 24 95.090 12.568 1.624 1.00 0.00 C ATOM 359 O SER A 24 94.288 11.696 1.353 1.00 0.00 O ATOM 360 CB SER A 24 97.406 12.654 2.556 1.00 0.00 C ATOM 361 OG SER A 24 98.044 13.454 3.542 1.00 0.00 O ATOM 0 H SER A 24 96.509 10.577 3.601 1.00 0.00 H new ATOM 0 HA SER A 24 95.626 13.318 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.878 11.673 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.516 13.111 1.573 1.00 0.00 H new ATOM 0 HG SER A 24 98.949 13.681 3.243 1.00 0.00 H new ATOM 367 N ASN A 25 95.273 13.590 0.834 1.00 0.00 N ATOM 368 CA ASN A 25 94.491 13.705 -0.430 1.00 0.00 C ATOM 369 C ASN A 25 95.451 13.791 -1.617 1.00 0.00 C ATOM 370 O ASN A 25 95.071 14.169 -2.709 1.00 0.00 O ATOM 371 CB ASN A 25 93.625 14.966 -0.380 1.00 0.00 C ATOM 372 CG ASN A 25 92.651 14.872 0.797 1.00 0.00 C ATOM 373 OD1 ASN A 25 92.775 15.599 1.761 1.00 0.00 O ATOM 374 ND2 ASN A 25 91.682 13.999 0.756 1.00 0.00 N ATOM 0 H ASN A 25 95.930 14.350 1.009 1.00 0.00 H new ATOM 0 HA ASN A 25 93.852 12.830 -0.544 1.00 0.00 H new ATOM 0 HB2 ASN A 25 94.256 15.849 -0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.074 15.078 -1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 25 91.027 13.927 1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.579 13.389 -0.055 1.00 0.00 H new ATOM 381 N ARG A 26 96.692 13.445 -1.415 1.00 0.00 N ATOM 382 CA ARG A 26 97.676 13.507 -2.533 1.00 0.00 C ATOM 383 C ARG A 26 97.827 12.119 -3.158 1.00 0.00 C ATOM 384 O ARG A 26 97.828 11.115 -2.472 1.00 0.00 O ATOM 385 CB ARG A 26 99.032 13.974 -1.997 1.00 0.00 C ATOM 386 CG ARG A 26 99.261 15.434 -2.390 1.00 0.00 C ATOM 387 CD ARG A 26 100.616 15.569 -3.087 1.00 0.00 C ATOM 388 NE ARG A 26 101.643 16.003 -2.098 1.00 0.00 N ATOM 389 CZ ARG A 26 102.540 16.890 -2.435 1.00 0.00 C ATOM 390 NH1 ARG A 26 102.286 18.162 -2.288 1.00 0.00 N ATOM 391 NH2 ARG A 26 103.689 16.506 -2.920 1.00 0.00 N ATOM 0 H ARG A 26 97.068 13.122 -0.524 1.00 0.00 H new ATOM 0 HA ARG A 26 97.322 14.210 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 26 99.062 13.869 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.829 13.349 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.464 15.773 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 26 99.231 16.069 -1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 26 100.904 14.617 -3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.549 16.293 -3.899 1.00 0.00 H new ATOM 0 HE ARG A 26 101.645 15.607 -1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 26 101.387 18.462 -1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 26 102.986 18.856 -2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 26 103.887 15.512 -3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 26 104.389 17.200 -3.183 1.00 0.00 H new ATOM 405 N THR A 27 97.956 12.052 -4.455 1.00 0.00 N ATOM 406 CA THR A 27 98.111 10.729 -5.122 1.00 0.00 C ATOM 407 C THR A 27 99.598 10.448 -5.349 1.00 0.00 C ATOM 408 O THR A 27 100.244 11.086 -6.157 1.00 0.00 O ATOM 409 CB THR A 27 97.382 10.747 -6.467 1.00 0.00 C ATOM 410 OG1 THR A 27 97.848 11.844 -7.240 1.00 0.00 O ATOM 411 CG2 THR A 27 95.877 10.890 -6.232 1.00 0.00 C ATOM 0 H THR A 27 97.961 12.857 -5.081 1.00 0.00 H new ATOM 0 HA THR A 27 97.685 9.949 -4.491 1.00 0.00 H new ATOM 0 HB THR A 27 97.577 9.816 -7.000 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.825 11.893 -7.183 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.359 10.903 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.520 10.049 -5.638 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.679 11.820 -5.700 1.00 0.00 H new ATOM 419 N LEU A 28 100.147 9.500 -4.640 1.00 0.00 N ATOM 420 CA LEU A 28 101.592 9.183 -4.814 1.00 0.00 C ATOM 421 C LEU A 28 101.744 7.921 -5.666 1.00 0.00 C ATOM 422 O LEU A 28 100.917 7.032 -5.629 1.00 0.00 O ATOM 423 CB LEU A 28 102.230 8.949 -3.442 1.00 0.00 C ATOM 424 CG LEU A 28 101.806 10.062 -2.483 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.852 9.543 -1.045 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.762 11.248 -2.626 1.00 0.00 C ATOM 0 H LEU A 28 99.658 8.932 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 28 102.087 10.017 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 101.924 7.980 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 28 103.316 8.928 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 28 100.791 10.380 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 28 101.550 10.337 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 28 101.173 8.697 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 28 102.867 9.225 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 28 102.461 12.042 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 28 103.776 10.929 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 28 102.731 11.619 -3.650 1.00 0.00 H new ATOM 438 N ALA A 29 102.797 7.836 -6.431 1.00 0.00 N ATOM 439 CA ALA A 29 103.008 6.630 -7.281 1.00 0.00 C ATOM 440 C ALA A 29 104.195 5.828 -6.735 1.00 0.00 C ATOM 441 O ALA A 29 104.602 4.837 -7.305 1.00 0.00 O ATOM 442 CB ALA A 29 103.304 7.064 -8.717 1.00 0.00 C ATOM 0 H ALA A 29 103.521 8.550 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 29 102.111 6.011 -7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.458 6.182 -9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.463 7.638 -9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 29 104.202 7.681 -8.733 1.00 0.00 H new ATOM 448 N CYS A 30 104.751 6.251 -5.632 1.00 0.00 N ATOM 449 CA CYS A 30 105.906 5.515 -5.045 1.00 0.00 C ATOM 450 C CYS A 30 105.574 5.156 -3.596 1.00 0.00 C ATOM 451 O CYS A 30 105.110 5.982 -2.836 1.00 0.00 O ATOM 452 CB CYS A 30 107.152 6.405 -5.084 1.00 0.00 C ATOM 453 SG CYS A 30 108.469 5.648 -4.099 1.00 0.00 S ATOM 0 H CYS A 30 104.454 7.076 -5.111 1.00 0.00 H new ATOM 0 HA CYS A 30 106.099 4.607 -5.616 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.484 6.538 -6.114 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.916 7.395 -4.695 1.00 0.00 H new ATOM 0 HG CYS A 30 108.223 4.381 -3.947 1.00 0.00 H new ATOM 459 N PHE A 31 105.797 3.931 -3.204 1.00 0.00 N ATOM 460 CA PHE A 31 105.474 3.539 -1.803 1.00 0.00 C ATOM 461 C PHE A 31 106.599 2.677 -1.225 1.00 0.00 C ATOM 462 O PHE A 31 107.375 2.081 -1.946 1.00 0.00 O ATOM 463 CB PHE A 31 104.169 2.741 -1.781 1.00 0.00 C ATOM 464 CG PHE A 31 103.117 3.447 -2.603 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.277 3.572 -3.989 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.976 3.969 -1.982 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.300 4.219 -4.751 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.997 4.612 -2.743 1.00 0.00 C ATOM 469 CZ PHE A 31 101.157 4.739 -4.128 1.00 0.00 C ATOM 0 H PHE A 31 106.186 3.190 -3.788 1.00 0.00 H new ATOM 0 HA PHE A 31 105.366 4.441 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.339 1.739 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.822 2.624 -0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 31 104.156 3.168 -4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.853 3.874 -0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.426 4.318 -5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 31 100.116 5.011 -2.263 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.400 5.237 -4.716 1.00 0.00 H new ATOM 479 N ALA A 32 106.686 2.606 0.076 1.00 0.00 N ATOM 480 CA ALA A 32 107.750 1.783 0.717 1.00 0.00 C ATOM 481 C ALA A 32 107.115 0.877 1.773 1.00 0.00 C ATOM 482 O ALA A 32 106.741 1.321 2.840 1.00 0.00 O ATOM 483 CB ALA A 32 108.774 2.702 1.385 1.00 0.00 C ATOM 0 H ALA A 32 106.062 3.086 0.725 1.00 0.00 H new ATOM 0 HA ALA A 32 108.248 1.175 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.552 2.100 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.222 3.354 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.279 3.309 2.143 1.00 0.00 H new ATOM 489 N ILE A 33 106.988 -0.389 1.486 1.00 0.00 N ATOM 490 CA ILE A 33 106.371 -1.315 2.478 1.00 0.00 C ATOM 491 C ILE A 33 107.409 -1.701 3.533 1.00 0.00 C ATOM 492 O ILE A 33 108.563 -1.931 3.230 1.00 0.00 O ATOM 493 CB ILE A 33 105.874 -2.574 1.765 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.629 -2.232 0.943 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.519 -3.643 2.802 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.540 -3.166 -0.265 1.00 0.00 C ATOM 0 H ILE A 33 107.283 -0.822 0.611 1.00 0.00 H new ATOM 0 HA ILE A 33 105.530 -0.818 2.962 1.00 0.00 H new ATOM 0 HB ILE A 33 106.656 -2.952 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.735 -2.331 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.673 -1.195 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.165 -4.540 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.403 -3.885 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.736 -3.266 3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.653 -2.921 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.428 -3.044 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.475 -4.199 0.078 1.00 0.00 H new ATOM 508 N TYR A 34 107.002 -1.782 4.769 1.00 0.00 N ATOM 509 CA TYR A 34 107.956 -2.161 5.847 1.00 0.00 C ATOM 510 C TYR A 34 107.326 -3.264 6.694 1.00 0.00 C ATOM 511 O TYR A 34 106.437 -3.018 7.485 1.00 0.00 O ATOM 512 CB TYR A 34 108.248 -0.944 6.727 1.00 0.00 C ATOM 513 CG TYR A 34 109.019 -1.376 7.952 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.835 -2.514 7.904 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.920 -0.637 9.137 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.549 -2.911 9.038 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.636 -1.034 10.270 1.00 0.00 C ATOM 518 CZ TYR A 34 110.451 -2.171 10.222 1.00 0.00 C ATOM 519 OH TYR A 34 111.157 -2.562 11.341 1.00 0.00 O ATOM 0 H TYR A 34 106.047 -1.602 5.079 1.00 0.00 H new ATOM 0 HA TYR A 34 108.889 -2.515 5.408 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.821 -0.206 6.166 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.315 -0.465 7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 34 109.912 -3.085 6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.290 0.240 9.176 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.177 -3.789 9.001 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.560 -0.463 11.183 1.00 0.00 H new ATOM 0 HH TYR A 34 111.648 -1.795 11.703 1.00 0.00 H new ATOM 529 N THR A 35 107.766 -4.479 6.531 1.00 0.00 N ATOM 530 CA THR A 35 107.171 -5.590 7.326 1.00 0.00 C ATOM 531 C THR A 35 108.138 -6.776 7.358 1.00 0.00 C ATOM 532 O THR A 35 109.215 -6.731 6.793 1.00 0.00 O ATOM 533 CB THR A 35 105.828 -6.025 6.704 1.00 0.00 C ATOM 534 OG1 THR A 35 105.881 -7.406 6.371 1.00 0.00 O ATOM 535 CG2 THR A 35 105.530 -5.211 5.439 1.00 0.00 C ATOM 0 H THR A 35 108.508 -4.751 5.886 1.00 0.00 H new ATOM 0 HA THR A 35 106.993 -5.244 8.344 1.00 0.00 H new ATOM 0 HB THR A 35 105.036 -5.849 7.432 1.00 0.00 H new ATOM 0 HG1 THR A 35 105.545 -7.937 7.123 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.579 -5.533 5.015 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.475 -4.152 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.324 -5.369 4.709 1.00 0.00 H new ATOM 543 N THR A 36 107.760 -7.837 8.016 1.00 0.00 N ATOM 544 CA THR A 36 108.650 -9.029 8.089 1.00 0.00 C ATOM 545 C THR A 36 109.183 -9.352 6.690 1.00 0.00 C ATOM 546 O THR A 36 108.612 -8.961 5.692 1.00 0.00 O ATOM 547 CB THR A 36 107.858 -10.224 8.627 1.00 0.00 C ATOM 548 OG1 THR A 36 106.613 -10.308 7.949 1.00 0.00 O ATOM 549 CG2 THR A 36 107.614 -10.045 10.128 1.00 0.00 C ATOM 0 H THR A 36 106.871 -7.930 8.507 1.00 0.00 H new ATOM 0 HA THR A 36 109.487 -8.821 8.756 1.00 0.00 H new ATOM 0 HB THR A 36 108.425 -11.140 8.461 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.550 -11.170 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.050 -10.896 10.509 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.570 -9.981 10.647 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.047 -9.129 10.298 1.00 0.00 H new ATOM 557 N LYS A 37 110.278 -10.057 6.611 1.00 0.00 N ATOM 558 CA LYS A 37 110.852 -10.400 5.283 1.00 0.00 C ATOM 559 C LYS A 37 109.886 -11.304 4.511 1.00 0.00 C ATOM 560 O LYS A 37 109.561 -11.047 3.368 1.00 0.00 O ATOM 561 CB LYS A 37 112.184 -11.123 5.488 1.00 0.00 C ATOM 562 CG LYS A 37 111.979 -12.341 6.392 1.00 0.00 C ATOM 563 CD LYS A 37 113.275 -12.643 7.143 1.00 0.00 C ATOM 564 CE LYS A 37 113.342 -14.135 7.470 1.00 0.00 C ATOM 565 NZ LYS A 37 114.145 -14.836 6.430 1.00 0.00 N ATOM 0 H LYS A 37 110.800 -10.411 7.413 1.00 0.00 H new ATOM 0 HA LYS A 37 111.012 -9.487 4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.590 -11.437 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 37 112.911 -10.445 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.172 -12.150 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.682 -13.204 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.134 -12.354 6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.320 -12.057 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.791 -14.283 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 37 112.337 -14.554 7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.191 -15.851 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 113.699 -14.705 5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.107 -14.442 6.411 1.00 0.00 H new ATOM 579 N GLU A 38 109.427 -12.362 5.121 1.00 0.00 N ATOM 580 CA GLU A 38 108.490 -13.282 4.423 1.00 0.00 C ATOM 581 C GLU A 38 107.338 -12.481 3.816 1.00 0.00 C ATOM 582 O GLU A 38 106.727 -12.887 2.848 1.00 0.00 O ATOM 583 CB GLU A 38 107.933 -14.298 5.421 1.00 0.00 C ATOM 584 CG GLU A 38 108.952 -15.420 5.631 1.00 0.00 C ATOM 585 CD GLU A 38 108.475 -16.683 4.913 1.00 0.00 C ATOM 586 OE1 GLU A 38 107.274 -16.884 4.846 1.00 0.00 O ATOM 587 OE2 GLU A 38 109.319 -17.428 4.443 1.00 0.00 O ATOM 0 H GLU A 38 109.663 -12.629 6.077 1.00 0.00 H new ATOM 0 HA GLU A 38 109.024 -13.805 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 38 107.714 -13.809 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.994 -14.710 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 38 109.926 -15.117 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.076 -15.619 6.696 1.00 0.00 H new ATOM 594 N LYS A 39 107.035 -11.343 4.379 1.00 0.00 N ATOM 595 CA LYS A 39 105.922 -10.516 3.837 1.00 0.00 C ATOM 596 C LYS A 39 106.383 -9.810 2.561 1.00 0.00 C ATOM 597 O LYS A 39 105.754 -9.904 1.526 1.00 0.00 O ATOM 598 CB LYS A 39 105.515 -9.473 4.877 1.00 0.00 C ATOM 599 CG LYS A 39 104.361 -10.016 5.719 1.00 0.00 C ATOM 600 CD LYS A 39 103.318 -8.916 5.925 1.00 0.00 C ATOM 601 CE LYS A 39 102.982 -8.807 7.412 1.00 0.00 C ATOM 602 NZ LYS A 39 102.213 -10.009 7.839 1.00 0.00 N ATOM 0 H LYS A 39 107.511 -10.951 5.191 1.00 0.00 H new ATOM 0 HA LYS A 39 105.070 -11.157 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.364 -9.231 5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.215 -8.549 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.907 -10.874 5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 39 104.733 -10.365 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.700 -7.964 5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 39 102.418 -9.141 5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.898 -8.722 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.400 -7.905 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 101.536 -9.742 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 101.697 -10.398 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 102.868 -10.727 8.209 1.00 0.00 H new ATOM 616 N ALA A 40 107.476 -9.102 2.628 1.00 0.00 N ATOM 617 CA ALA A 40 107.976 -8.390 1.418 1.00 0.00 C ATOM 618 C ALA A 40 108.067 -9.371 0.246 1.00 0.00 C ATOM 619 O ALA A 40 107.798 -9.024 -0.887 1.00 0.00 O ATOM 620 CB ALA A 40 109.364 -7.813 1.704 1.00 0.00 C ATOM 0 H ALA A 40 108.044 -8.985 3.467 1.00 0.00 H new ATOM 0 HA ALA A 40 107.289 -7.583 1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.731 -7.292 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.303 -7.114 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.049 -8.622 1.959 1.00 0.00 H new ATOM 626 N ALA A 41 108.451 -10.590 0.506 1.00 0.00 N ATOM 627 CA ALA A 41 108.565 -11.586 -0.598 1.00 0.00 C ATOM 628 C ALA A 41 107.177 -11.891 -1.163 1.00 0.00 C ATOM 629 O ALA A 41 107.016 -12.129 -2.344 1.00 0.00 O ATOM 630 CB ALA A 41 109.192 -12.874 -0.059 1.00 0.00 C ATOM 0 H ALA A 41 108.691 -10.940 1.434 1.00 0.00 H new ATOM 0 HA ALA A 41 109.194 -11.178 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.276 -13.603 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.183 -12.657 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.564 -13.280 0.734 1.00 0.00 H new ATOM 636 N LEU A 42 106.175 -11.891 -0.330 1.00 0.00 N ATOM 637 CA LEU A 42 104.798 -12.188 -0.816 1.00 0.00 C ATOM 638 C LEU A 42 104.266 -11.004 -1.629 1.00 0.00 C ATOM 639 O LEU A 42 103.522 -11.175 -2.574 1.00 0.00 O ATOM 640 CB LEU A 42 103.879 -12.435 0.382 1.00 0.00 C ATOM 641 CG LEU A 42 103.506 -13.917 0.442 1.00 0.00 C ATOM 642 CD1 LEU A 42 103.212 -14.313 1.889 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.263 -14.164 -0.415 1.00 0.00 C ATOM 0 H LEU A 42 106.250 -11.698 0.669 1.00 0.00 H new ATOM 0 HA LEU A 42 104.824 -13.075 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.378 -12.137 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 42 102.979 -11.826 0.295 1.00 0.00 H new ATOM 0 HG LEU A 42 104.335 -14.515 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 42 102.946 -15.369 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 42 104.096 -14.137 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.383 -13.715 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 42 101.996 -15.220 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 42 101.435 -13.565 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 42 102.471 -13.883 -1.447 1.00 0.00 H new ATOM 655 N LEU A 43 104.634 -9.804 -1.270 1.00 0.00 N ATOM 656 CA LEU A 43 104.140 -8.617 -2.023 1.00 0.00 C ATOM 657 C LEU A 43 105.041 -8.356 -3.228 1.00 0.00 C ATOM 658 O LEU A 43 104.678 -7.643 -4.141 1.00 0.00 O ATOM 659 CB LEU A 43 104.144 -7.393 -1.105 1.00 0.00 C ATOM 660 CG LEU A 43 103.760 -7.814 0.316 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.365 -6.580 1.127 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.575 -8.784 0.261 1.00 0.00 C ATOM 0 H LEU A 43 105.255 -9.595 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 43 103.125 -8.808 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.131 -6.930 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.442 -6.646 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 43 104.611 -8.304 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 43 103.092 -6.881 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.206 -5.888 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.515 -6.090 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.302 -9.083 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.725 -8.294 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.853 -9.666 -0.315 1.00 0.00 H new ATOM 674 N TYR A 44 106.209 -8.928 -3.247 1.00 0.00 N ATOM 675 CA TYR A 44 107.114 -8.706 -4.405 1.00 0.00 C ATOM 676 C TYR A 44 106.552 -9.438 -5.621 1.00 0.00 C ATOM 677 O TYR A 44 106.365 -8.862 -6.674 1.00 0.00 O ATOM 678 CB TYR A 44 108.509 -9.244 -4.077 1.00 0.00 C ATOM 679 CG TYR A 44 109.523 -8.644 -5.023 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.423 -8.879 -6.400 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.572 -7.861 -4.524 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.368 -8.330 -7.274 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.517 -7.315 -5.398 1.00 0.00 C ATOM 684 CZ TYR A 44 111.416 -7.549 -6.775 1.00 0.00 C ATOM 685 OH TYR A 44 112.352 -7.012 -7.637 1.00 0.00 O ATOM 0 H TYR A 44 106.575 -9.537 -2.515 1.00 0.00 H new ATOM 0 HA TYR A 44 107.185 -7.640 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.770 -9.001 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.519 -10.331 -4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 44 108.617 -9.484 -6.787 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.651 -7.679 -3.462 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.288 -8.510 -8.336 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.325 -6.712 -5.011 1.00 0.00 H new ATOM 0 HH TYR A 44 112.739 -6.205 -7.238 1.00 0.00 H new ATOM 695 N LYS A 45 106.276 -10.705 -5.484 1.00 0.00 N ATOM 696 CA LYS A 45 105.724 -11.477 -6.632 1.00 0.00 C ATOM 697 C LYS A 45 104.264 -11.082 -6.868 1.00 0.00 C ATOM 698 O LYS A 45 103.687 -11.399 -7.890 1.00 0.00 O ATOM 699 CB LYS A 45 105.804 -12.972 -6.322 1.00 0.00 C ATOM 700 CG LYS A 45 107.182 -13.500 -6.723 1.00 0.00 C ATOM 701 CD LYS A 45 107.159 -15.029 -6.742 1.00 0.00 C ATOM 702 CE LYS A 45 107.867 -15.532 -8.000 1.00 0.00 C ATOM 703 NZ LYS A 45 106.879 -15.664 -9.108 1.00 0.00 N ATOM 0 H LYS A 45 106.409 -11.240 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 45 106.304 -11.257 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 45 105.631 -13.144 -5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.025 -13.509 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.457 -13.118 -7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.937 -13.146 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.651 -15.422 -5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 45 106.130 -15.388 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 45 108.659 -14.840 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 45 108.340 -16.494 -7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 107.361 -16.006 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 106.138 -16.340 -8.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 106.448 -14.738 -9.301 1.00 0.00 H new ATOM 717 N LYS A 46 103.655 -10.399 -5.936 1.00 0.00 N ATOM 718 CA LYS A 46 102.232 -10.001 -6.123 1.00 0.00 C ATOM 719 C LYS A 46 102.155 -8.633 -6.810 1.00 0.00 C ATOM 720 O LYS A 46 101.727 -8.524 -7.941 1.00 0.00 O ATOM 721 CB LYS A 46 101.542 -9.929 -4.761 1.00 0.00 C ATOM 722 CG LYS A 46 101.302 -11.345 -4.236 1.00 0.00 C ATOM 723 CD LYS A 46 100.666 -11.270 -2.848 1.00 0.00 C ATOM 724 CE LYS A 46 99.149 -11.408 -2.975 1.00 0.00 C ATOM 725 NZ LYS A 46 98.756 -12.819 -2.699 1.00 0.00 N ATOM 0 H LYS A 46 104.080 -10.101 -5.058 1.00 0.00 H new ATOM 0 HA LYS A 46 101.733 -10.741 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.159 -9.369 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.595 -9.397 -4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 46 100.651 -11.892 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.244 -11.891 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 46 101.062 -12.061 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.917 -10.322 -2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 46 98.652 -10.737 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 46 98.829 -11.119 -3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 97.724 -12.915 -2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 99.221 -13.449 -3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 99.049 -13.079 -1.735 1.00 0.00 H new ATOM 739 N ILE A 47 102.557 -7.588 -6.136 1.00 0.00 N ATOM 740 CA ILE A 47 102.497 -6.231 -6.756 1.00 0.00 C ATOM 741 C ILE A 47 103.282 -6.231 -8.071 1.00 0.00 C ATOM 742 O ILE A 47 102.976 -5.490 -8.983 1.00 0.00 O ATOM 743 CB ILE A 47 103.096 -5.199 -5.787 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.114 -4.993 -4.630 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.326 -3.863 -6.510 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.287 -3.604 -4.005 1.00 0.00 C ATOM 0 H ILE A 47 102.924 -7.615 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 47 101.459 -5.969 -6.962 1.00 0.00 H new ATOM 0 HB ILE A 47 104.053 -5.560 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 47 101.092 -5.109 -4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 47 102.274 -5.760 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.750 -3.140 -5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.015 -4.013 -7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.376 -3.486 -6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.578 -3.483 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 47 103.303 -3.500 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 47 102.103 -2.840 -4.760 1.00 0.00 H new ATOM 758 N MET A 48 104.294 -7.050 -8.175 1.00 0.00 N ATOM 759 CA MET A 48 105.102 -7.089 -9.430 1.00 0.00 C ATOM 760 C MET A 48 104.179 -7.015 -10.652 1.00 0.00 C ATOM 761 O MET A 48 104.576 -6.574 -11.712 1.00 0.00 O ATOM 762 CB MET A 48 105.907 -8.393 -9.473 1.00 0.00 C ATOM 763 CG MET A 48 106.636 -8.517 -10.815 1.00 0.00 C ATOM 764 SD MET A 48 108.274 -7.758 -10.682 1.00 0.00 S ATOM 765 CE MET A 48 109.192 -9.270 -10.301 1.00 0.00 C ATOM 0 H MET A 48 104.597 -7.695 -7.445 1.00 0.00 H new ATOM 0 HA MET A 48 105.781 -6.236 -9.447 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.628 -8.412 -8.656 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.242 -9.245 -9.331 1.00 0.00 H new ATOM 0 HG2 MET A 48 106.731 -9.566 -11.094 1.00 0.00 H new ATOM 0 HG3 MET A 48 106.060 -8.029 -11.601 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.259 -9.048 -10.263 1.00 0.00 H new ATOM 0 HE2 MET A 48 108.868 -9.659 -9.336 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.004 -10.015 -11.074 1.00 0.00 H new ATOM 775 N GLU A 49 102.954 -7.448 -10.523 1.00 0.00 N ATOM 776 CA GLU A 49 102.031 -7.404 -11.692 1.00 0.00 C ATOM 777 C GLU A 49 100.775 -6.590 -11.359 1.00 0.00 C ATOM 778 O GLU A 49 100.020 -6.224 -12.237 1.00 0.00 O ATOM 779 CB GLU A 49 101.622 -8.830 -12.067 1.00 0.00 C ATOM 780 CG GLU A 49 101.898 -9.065 -13.552 1.00 0.00 C ATOM 781 CD GLU A 49 102.909 -10.203 -13.710 1.00 0.00 C ATOM 782 OE1 GLU A 49 103.951 -10.136 -13.078 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.624 -11.122 -14.461 1.00 0.00 O ATOM 0 H GLU A 49 102.555 -7.828 -9.665 1.00 0.00 H new ATOM 0 HA GLU A 49 102.546 -6.929 -12.527 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.177 -9.549 -11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.564 -8.984 -11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 49 100.972 -9.313 -14.070 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.285 -8.154 -14.009 1.00 0.00 H new ATOM 790 N LYS A 50 100.534 -6.304 -10.107 1.00 0.00 N ATOM 791 CA LYS A 50 99.312 -5.520 -9.761 1.00 0.00 C ATOM 792 C LYS A 50 99.541 -4.037 -10.055 1.00 0.00 C ATOM 793 O LYS A 50 98.616 -3.305 -10.346 1.00 0.00 O ATOM 794 CB LYS A 50 98.971 -5.697 -8.281 1.00 0.00 C ATOM 795 CG LYS A 50 97.527 -5.243 -8.051 1.00 0.00 C ATOM 796 CD LYS A 50 97.110 -5.538 -6.609 1.00 0.00 C ATOM 797 CE LYS A 50 97.183 -7.044 -6.350 1.00 0.00 C ATOM 798 NZ LYS A 50 96.598 -7.346 -5.012 1.00 0.00 N ATOM 0 H LYS A 50 101.121 -6.575 -9.318 1.00 0.00 H new ATOM 0 HA LYS A 50 98.482 -5.886 -10.366 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.090 -6.740 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.653 -5.113 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.436 -4.176 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 50 96.861 -5.757 -8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 50 97.763 -5.008 -5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.097 -5.177 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 50 96.641 -7.584 -7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.219 -7.381 -6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.538 -8.376 -4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.202 -6.939 -4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 95.646 -6.933 -4.948 1.00 0.00 H new ATOM 812 N TYR A 51 100.760 -3.584 -9.984 1.00 0.00 N ATOM 813 CA TYR A 51 101.026 -2.146 -10.264 1.00 0.00 C ATOM 814 C TYR A 51 102.222 -2.019 -11.205 1.00 0.00 C ATOM 815 O TYR A 51 102.789 -0.956 -11.348 1.00 0.00 O ATOM 816 CB TYR A 51 101.352 -1.415 -8.961 1.00 0.00 C ATOM 817 CG TYR A 51 100.197 -1.524 -7.995 1.00 0.00 C ATOM 818 CD1 TYR A 51 100.078 -2.646 -7.168 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.250 -0.496 -7.918 1.00 0.00 C ATOM 820 CE1 TYR A 51 99.014 -2.741 -6.266 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.187 -0.590 -7.017 1.00 0.00 C ATOM 822 CZ TYR A 51 98.068 -1.711 -6.188 1.00 0.00 C ATOM 823 OH TYR A 51 97.017 -1.804 -5.298 1.00 0.00 O ATOM 0 H TYR A 51 101.580 -4.143 -9.746 1.00 0.00 H new ATOM 0 HA TYR A 51 100.140 -1.708 -10.723 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.251 -1.839 -8.513 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.564 -0.366 -9.168 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.808 -3.439 -7.226 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.341 0.371 -8.556 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.922 -3.609 -5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.456 0.203 -6.960 1.00 0.00 H new ATOM 0 HH TYR A 51 96.455 -1.005 -5.371 1.00 0.00 H new ATOM 833 N SER A 52 102.626 -3.091 -11.834 1.00 0.00 N ATOM 834 CA SER A 52 103.806 -3.008 -12.744 1.00 0.00 C ATOM 835 C SER A 52 104.895 -2.202 -12.037 1.00 0.00 C ATOM 836 O SER A 52 105.442 -1.263 -12.582 1.00 0.00 O ATOM 837 CB SER A 52 103.411 -2.310 -14.047 1.00 0.00 C ATOM 838 OG SER A 52 103.341 -3.273 -15.091 1.00 0.00 O ATOM 0 H SER A 52 102.195 -4.012 -11.758 1.00 0.00 H new ATOM 0 HA SER A 52 104.168 -4.008 -12.982 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.448 -1.813 -13.930 1.00 0.00 H new ATOM 0 HB3 SER A 52 104.140 -1.539 -14.296 1.00 0.00 H new ATOM 0 HG SER A 52 103.087 -2.831 -15.928 1.00 0.00 H new ATOM 844 N VAL A 53 105.175 -2.556 -10.811 1.00 0.00 N ATOM 845 CA VAL A 53 106.197 -1.829 -10.000 1.00 0.00 C ATOM 846 C VAL A 53 107.299 -1.245 -10.884 1.00 0.00 C ATOM 847 O VAL A 53 108.023 -1.957 -11.554 1.00 0.00 O ATOM 848 CB VAL A 53 106.819 -2.795 -8.993 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.717 -3.409 -8.128 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.558 -3.907 -9.740 1.00 0.00 C ATOM 0 H VAL A 53 104.729 -3.335 -10.327 1.00 0.00 H new ATOM 0 HA VAL A 53 105.702 -1.006 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 53 107.522 -2.254 -8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.160 -4.098 -7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.190 -2.618 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 53 105.014 -3.949 -8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.002 -4.596 -9.021 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.856 -4.448 -10.375 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.344 -3.471 -10.357 1.00 0.00 H new ATOM 860 N THR A 54 107.443 0.053 -10.869 1.00 0.00 N ATOM 861 CA THR A 54 108.510 0.699 -11.680 1.00 0.00 C ATOM 862 C THR A 54 109.870 0.233 -11.153 1.00 0.00 C ATOM 863 O THR A 54 110.892 0.405 -11.787 1.00 0.00 O ATOM 864 CB THR A 54 108.389 2.220 -11.551 1.00 0.00 C ATOM 865 OG1 THR A 54 107.038 2.560 -11.272 1.00 0.00 O ATOM 866 CG2 THR A 54 108.819 2.879 -12.861 1.00 0.00 C ATOM 0 H THR A 54 106.864 0.695 -10.327 1.00 0.00 H new ATOM 0 HA THR A 54 108.411 0.424 -12.730 1.00 0.00 H new ATOM 0 HB THR A 54 109.030 2.570 -10.742 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.980 3.512 -11.046 1.00 0.00 H new ATOM 0 HG21 THR A 54 108.733 3.962 -12.769 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.854 2.615 -13.079 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.178 2.531 -13.671 1.00 0.00 H new ATOM 874 N PHE A 55 109.876 -0.366 -9.991 1.00 0.00 N ATOM 875 CA PHE A 55 111.144 -0.866 -9.394 1.00 0.00 C ATOM 876 C PHE A 55 110.840 -1.375 -7.986 1.00 0.00 C ATOM 877 O PHE A 55 110.289 -0.664 -7.173 1.00 0.00 O ATOM 878 CB PHE A 55 112.173 0.272 -9.316 1.00 0.00 C ATOM 879 CG PHE A 55 113.195 -0.035 -8.239 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.274 -0.877 -8.522 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.051 0.511 -6.957 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.212 -1.169 -7.526 1.00 0.00 C ATOM 883 CE2 PHE A 55 113.988 0.221 -5.963 1.00 0.00 C ATOM 884 CZ PHE A 55 115.070 -0.619 -6.248 1.00 0.00 C ATOM 0 H PHE A 55 109.044 -0.531 -9.425 1.00 0.00 H new ATOM 0 HA PHE A 55 111.555 -1.667 -10.009 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.670 0.392 -10.279 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.671 1.214 -9.096 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.384 -1.302 -9.509 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.214 1.157 -6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 55 116.046 -1.819 -7.744 1.00 0.00 H new ATOM 0 HE2 PHE A 55 113.878 0.645 -4.976 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.796 -0.843 -5.480 1.00 0.00 H new ATOM 894 N ILE A 56 111.200 -2.589 -7.681 1.00 0.00 N ATOM 895 CA ILE A 56 110.924 -3.105 -6.313 1.00 0.00 C ATOM 896 C ILE A 56 112.185 -3.766 -5.752 1.00 0.00 C ATOM 897 O ILE A 56 112.775 -4.627 -6.372 1.00 0.00 O ATOM 898 CB ILE A 56 109.778 -4.116 -6.362 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.635 -4.788 -4.994 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.075 -5.173 -7.422 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.484 -5.791 -5.039 1.00 0.00 C ATOM 0 H ILE A 56 111.668 -3.240 -8.311 1.00 0.00 H new ATOM 0 HA ILE A 56 110.636 -2.278 -5.665 1.00 0.00 H new ATOM 0 HB ILE A 56 108.850 -3.603 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.563 -5.294 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.448 -4.038 -4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.258 -5.893 -7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.177 -4.693 -8.395 1.00 0.00 H new ATOM 0 HG23 ILE A 56 111.003 -5.688 -7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.381 -6.270 -4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.558 -5.272 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.690 -6.548 -5.796 1.00 0.00 H new ATOM 913 N SER A 57 112.611 -3.359 -4.585 1.00 0.00 N ATOM 914 CA SER A 57 113.844 -3.955 -3.996 1.00 0.00 C ATOM 915 C SER A 57 113.614 -4.326 -2.530 1.00 0.00 C ATOM 916 O SER A 57 113.133 -3.534 -1.749 1.00 0.00 O ATOM 917 CB SER A 57 114.971 -2.935 -4.061 1.00 0.00 C ATOM 918 OG SER A 57 116.175 -3.534 -3.599 1.00 0.00 O ATOM 0 H SER A 57 112.160 -2.642 -4.017 1.00 0.00 H new ATOM 0 HA SER A 57 114.100 -4.852 -4.560 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.097 -2.580 -5.084 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.726 -2.066 -3.450 1.00 0.00 H new ATOM 0 HG SER A 57 116.074 -4.509 -3.593 1.00 0.00 H new ATOM 924 N ARG A 58 113.987 -5.514 -2.143 1.00 0.00 N ATOM 925 CA ARG A 58 113.821 -5.916 -0.719 1.00 0.00 C ATOM 926 C ARG A 58 115.091 -5.524 0.040 1.00 0.00 C ATOM 927 O ARG A 58 116.162 -6.027 -0.235 1.00 0.00 O ATOM 928 CB ARG A 58 113.614 -7.431 -0.632 1.00 0.00 C ATOM 929 CG ARG A 58 112.177 -7.774 -1.030 1.00 0.00 C ATOM 930 CD ARG A 58 111.797 -9.137 -0.448 1.00 0.00 C ATOM 931 NE ARG A 58 112.987 -10.033 -0.463 1.00 0.00 N ATOM 932 CZ ARG A 58 113.131 -10.939 0.464 1.00 0.00 C ATOM 933 NH1 ARG A 58 113.542 -10.596 1.655 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.864 -12.190 0.202 1.00 0.00 N ATOM 0 H ARG A 58 114.399 -6.223 -2.750 1.00 0.00 H new ATOM 0 HA ARG A 58 112.954 -5.418 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 58 114.317 -7.943 -1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 58 113.815 -7.778 0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.494 -7.007 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.084 -7.792 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.430 -9.019 0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 58 110.988 -9.580 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 58 113.688 -9.938 -1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 58 113.751 -9.619 1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 58 113.654 -11.305 2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 58 112.543 -12.459 -0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 58 112.977 -12.898 0.927 1.00 0.00 H new ATOM 948 N HIS A 59 114.996 -4.615 0.975 1.00 0.00 N ATOM 949 CA HIS A 59 116.219 -4.190 1.718 1.00 0.00 C ATOM 950 C HIS A 59 116.193 -4.743 3.145 1.00 0.00 C ATOM 951 O HIS A 59 115.197 -5.266 3.605 1.00 0.00 O ATOM 952 CB HIS A 59 116.276 -2.661 1.770 1.00 0.00 C ATOM 953 CG HIS A 59 116.337 -2.113 0.372 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.538 -1.811 -0.252 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.354 -1.805 -0.537 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.250 -1.346 -1.481 1.00 0.00 C ATOM 957 NE2 HIS A 59 115.934 -1.321 -1.707 1.00 0.00 N ATOM 0 H HIS A 59 114.131 -4.152 1.255 1.00 0.00 H new ATOM 0 HA HIS A 59 117.098 -4.578 1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.399 -2.271 2.287 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.149 -2.338 2.337 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.470 -1.921 0.148 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.293 -1.921 -0.370 1.00 0.00 H new ATOM 0 HE1 HIS A 59 117.993 -1.031 -2.198 1.00 0.00 H new ATOM 965 N ASN A 60 117.289 -4.625 3.847 1.00 0.00 N ATOM 966 CA ASN A 60 117.347 -5.133 5.247 1.00 0.00 C ATOM 967 C ASN A 60 117.548 -3.954 6.201 1.00 0.00 C ATOM 968 O ASN A 60 118.403 -3.115 5.993 1.00 0.00 O ATOM 969 CB ASN A 60 118.521 -6.105 5.390 1.00 0.00 C ATOM 970 CG ASN A 60 118.052 -7.526 5.077 1.00 0.00 C ATOM 971 OD1 ASN A 60 117.068 -7.987 5.618 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.721 -8.244 4.218 1.00 0.00 N ATOM 0 H ASN A 60 118.150 -4.196 3.508 1.00 0.00 H new ATOM 0 HA ASN A 60 116.417 -5.649 5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.327 -5.820 4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.923 -6.059 6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.417 -9.193 4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 60 119.548 -7.856 3.764 1.00 0.00 H new ATOM 979 N SER A 61 116.769 -3.881 7.246 1.00 0.00 N ATOM 980 CA SER A 61 116.921 -2.753 8.207 1.00 0.00 C ATOM 981 C SER A 61 117.520 -3.269 9.520 1.00 0.00 C ATOM 982 O SER A 61 118.718 -3.428 9.639 1.00 0.00 O ATOM 983 CB SER A 61 115.555 -2.119 8.472 1.00 0.00 C ATOM 984 OG SER A 61 114.537 -3.087 8.256 1.00 0.00 O ATOM 0 H SER A 61 116.036 -4.552 7.475 1.00 0.00 H new ATOM 0 HA SER A 61 117.588 -2.003 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.507 -1.746 9.495 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.405 -1.263 7.814 1.00 0.00 H new ATOM 0 HG SER A 61 113.774 -2.895 8.840 1.00 0.00 H new ATOM 990 N TYR A 62 116.705 -3.525 10.509 1.00 0.00 N ATOM 991 CA TYR A 62 117.250 -4.024 11.805 1.00 0.00 C ATOM 992 C TYR A 62 116.519 -5.302 12.219 1.00 0.00 C ATOM 993 O TYR A 62 117.123 -6.250 12.682 1.00 0.00 O ATOM 994 CB TYR A 62 117.059 -2.963 12.897 1.00 0.00 C ATOM 995 CG TYR A 62 116.988 -1.583 12.286 1.00 0.00 C ATOM 996 CD1 TYR A 62 117.941 -1.180 11.342 1.00 0.00 C ATOM 997 CD2 TYR A 62 115.968 -0.704 12.666 1.00 0.00 C ATOM 998 CE1 TYR A 62 117.873 0.098 10.781 1.00 0.00 C ATOM 999 CE2 TYR A 62 115.900 0.575 12.107 1.00 0.00 C ATOM 1000 CZ TYR A 62 116.853 0.978 11.164 1.00 0.00 C ATOM 1001 OH TYR A 62 116.786 2.240 10.611 1.00 0.00 O ATOM 0 H TYR A 62 115.692 -3.411 10.476 1.00 0.00 H new ATOM 0 HA TYR A 62 118.312 -4.233 11.680 1.00 0.00 H new ATOM 0 HB2 TYR A 62 116.146 -3.168 13.455 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.884 -3.011 13.607 1.00 0.00 H new ATOM 0 HD1 TYR A 62 118.729 -1.857 11.048 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.232 -1.014 13.393 1.00 0.00 H new ATOM 0 HE1 TYR A 62 118.607 0.407 10.052 1.00 0.00 H new ATOM 0 HE2 TYR A 62 115.112 1.252 12.402 1.00 0.00 H new ATOM 0 HH TYR A 62 117.268 2.249 9.758 1.00 0.00 H new ATOM 1011 N ASN A 63 115.222 -5.335 12.072 1.00 0.00 N ATOM 1012 CA ASN A 63 114.461 -6.552 12.476 1.00 0.00 C ATOM 1013 C ASN A 63 113.779 -7.178 11.256 1.00 0.00 C ATOM 1014 O ASN A 63 113.802 -8.379 11.073 1.00 0.00 O ATOM 1015 CB ASN A 63 113.400 -6.164 13.507 1.00 0.00 C ATOM 1016 CG ASN A 63 113.939 -5.041 14.396 1.00 0.00 C ATOM 1017 OD1 ASN A 63 114.343 -5.278 15.517 1.00 0.00 O ATOM 1018 ND2 ASN A 63 113.964 -3.819 13.939 1.00 0.00 N ATOM 0 H ASN A 63 114.658 -4.575 11.691 1.00 0.00 H new ATOM 0 HA ASN A 63 115.151 -7.277 12.908 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.490 -5.838 13.003 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.135 -7.029 14.115 1.00 0.00 H new ATOM 0 HD21 ASN A 63 114.323 -3.063 14.523 1.00 0.00 H new ATOM 0 HD22 ASN A 63 113.625 -3.619 12.998 1.00 0.00 H new ATOM 1025 N HIS A 64 113.163 -6.382 10.425 1.00 0.00 N ATOM 1026 CA HIS A 64 112.475 -6.952 9.230 1.00 0.00 C ATOM 1027 C HIS A 64 113.039 -6.324 7.955 1.00 0.00 C ATOM 1028 O HIS A 64 114.081 -5.699 7.967 1.00 0.00 O ATOM 1029 CB HIS A 64 110.976 -6.669 9.331 1.00 0.00 C ATOM 1030 CG HIS A 64 110.472 -7.179 10.652 1.00 0.00 C ATOM 1031 ND1 HIS A 64 109.963 -6.336 11.625 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.406 -8.445 11.180 1.00 0.00 C ATOM 1033 CE1 HIS A 64 109.618 -7.097 12.680 1.00 0.00 C ATOM 1034 NE2 HIS A 64 109.866 -8.390 12.461 1.00 0.00 N ATOM 0 H HIS A 64 113.106 -5.368 10.520 1.00 0.00 H new ATOM 0 HA HIS A 64 112.641 -8.029 9.194 1.00 0.00 H new ATOM 0 HB2 HIS A 64 110.788 -5.599 9.243 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.445 -7.154 8.512 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.725 -9.346 10.677 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.192 -6.708 13.593 1.00 0.00 H new ATOM 0 HE2 HIS A 64 109.696 -9.170 13.096 1.00 0.00 H new ATOM 1042 N ASN A 65 112.364 -6.493 6.848 1.00 0.00 N ATOM 1043 CA ASN A 65 112.873 -5.914 5.571 1.00 0.00 C ATOM 1044 C ASN A 65 111.909 -4.842 5.059 1.00 0.00 C ATOM 1045 O ASN A 65 110.766 -4.766 5.468 1.00 0.00 O ATOM 1046 CB ASN A 65 112.996 -7.020 4.520 1.00 0.00 C ATOM 1047 CG ASN A 65 113.881 -8.149 5.053 1.00 0.00 C ATOM 1048 OD1 ASN A 65 113.852 -9.250 4.539 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.677 -7.924 6.062 1.00 0.00 N ATOM 0 H ASN A 65 111.485 -7.005 6.774 1.00 0.00 H new ATOM 0 HA ASN A 65 113.849 -5.465 5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.008 -7.408 4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.421 -6.615 3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.273 -8.671 6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.703 -7.001 6.495 1.00 0.00 H new ATOM 1056 N ILE A 66 112.366 -4.019 4.154 1.00 0.00 N ATOM 1057 CA ILE A 66 111.490 -2.954 3.592 1.00 0.00 C ATOM 1058 C ILE A 66 111.309 -3.200 2.097 1.00 0.00 C ATOM 1059 O ILE A 66 112.206 -2.970 1.309 1.00 0.00 O ATOM 1060 CB ILE A 66 112.146 -1.587 3.801 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.077 -1.213 5.282 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.409 -0.531 2.972 1.00 0.00 C ATOM 1063 CD1 ILE A 66 112.990 -2.140 6.087 1.00 0.00 C ATOM 0 H ILE A 66 113.314 -4.040 3.779 1.00 0.00 H new ATOM 0 HA ILE A 66 110.523 -2.972 4.094 1.00 0.00 H new ATOM 0 HB ILE A 66 113.188 -1.632 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.382 -0.176 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.051 -1.295 5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 66 111.878 0.442 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.458 -0.798 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.366 -0.484 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.940 -1.873 7.143 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.665 -3.172 5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.016 -2.036 5.734 1.00 0.00 H new ATOM 1075 N LEU A 67 110.163 -3.669 1.693 1.00 0.00 N ATOM 1076 CA LEU A 67 109.944 -3.928 0.244 1.00 0.00 C ATOM 1077 C LEU A 67 109.628 -2.615 -0.465 1.00 0.00 C ATOM 1078 O LEU A 67 108.511 -2.137 -0.454 1.00 0.00 O ATOM 1079 CB LEU A 67 108.779 -4.902 0.061 1.00 0.00 C ATOM 1080 CG LEU A 67 108.477 -5.060 -1.431 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.023 -6.399 -1.928 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.965 -5.020 -1.651 1.00 0.00 C ATOM 0 H LEU A 67 109.372 -3.883 2.300 1.00 0.00 H new ATOM 0 HA LEU A 67 110.846 -4.365 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.028 -5.869 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.897 -4.533 0.585 1.00 0.00 H new ATOM 0 HG LEU A 67 108.950 -4.247 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.806 -6.508 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.101 -6.433 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.551 -7.212 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.749 -5.132 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.495 -5.833 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.571 -4.066 -1.300 1.00 0.00 H new ATOM 1094 N PHE A 68 110.609 -2.044 -1.096 1.00 0.00 N ATOM 1095 CA PHE A 68 110.393 -0.773 -1.832 1.00 0.00 C ATOM 1096 C PHE A 68 109.730 -1.109 -3.162 1.00 0.00 C ATOM 1097 O PHE A 68 110.034 -2.114 -3.763 1.00 0.00 O ATOM 1098 CB PHE A 68 111.754 -0.126 -2.097 1.00 0.00 C ATOM 1099 CG PHE A 68 111.651 1.371 -1.971 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.987 1.939 -0.879 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.230 2.191 -2.943 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.900 3.328 -0.761 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.144 3.580 -2.828 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.477 4.152 -1.735 1.00 0.00 C ATOM 0 H PHE A 68 111.561 -2.407 -1.134 1.00 0.00 H new ATOM 0 HA PHE A 68 109.767 -0.090 -1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.490 -0.508 -1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.103 -0.391 -3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.542 1.304 -0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.745 1.750 -3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.387 3.767 0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.591 4.213 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.409 5.226 -1.645 1.00 0.00 H new ATOM 1114 N PHE A 69 108.829 -0.295 -3.638 1.00 0.00 N ATOM 1115 CA PHE A 69 108.182 -0.619 -4.938 1.00 0.00 C ATOM 1116 C PHE A 69 107.476 0.612 -5.504 1.00 0.00 C ATOM 1117 O PHE A 69 106.669 1.244 -4.848 1.00 0.00 O ATOM 1118 CB PHE A 69 107.184 -1.765 -4.753 1.00 0.00 C ATOM 1119 CG PHE A 69 105.919 -1.265 -4.099 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.902 -0.980 -2.728 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.755 -1.106 -4.861 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.724 -0.530 -2.122 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.576 -0.660 -4.255 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.560 -0.372 -2.885 1.00 0.00 C ATOM 0 H PHE A 69 108.517 0.567 -3.191 1.00 0.00 H new ATOM 0 HA PHE A 69 108.951 -0.930 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.949 -2.210 -5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.631 -2.549 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.798 -1.108 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.768 -1.328 -5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.712 -0.304 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.679 -0.538 -4.843 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.650 -0.028 -2.416 1.00 0.00 H new ATOM 1134 N LEU A 70 107.784 0.955 -6.725 1.00 0.00 N ATOM 1135 CA LEU A 70 107.150 2.140 -7.363 1.00 0.00 C ATOM 1136 C LEU A 70 105.913 1.702 -8.146 1.00 0.00 C ATOM 1137 O LEU A 70 105.512 0.556 -8.105 1.00 0.00 O ATOM 1138 CB LEU A 70 108.145 2.786 -8.329 1.00 0.00 C ATOM 1139 CG LEU A 70 108.405 4.233 -7.914 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.414 4.260 -6.764 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.968 5.006 -9.110 1.00 0.00 C ATOM 0 H LEU A 70 108.455 0.459 -7.312 1.00 0.00 H new ATOM 0 HA LEU A 70 106.862 2.854 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 70 109.080 2.225 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.752 2.755 -9.345 1.00 0.00 H new ATOM 0 HG LEU A 70 107.473 4.695 -7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.600 5.292 -6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 70 109.014 3.705 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.348 3.802 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.155 6.040 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 70 109.901 4.545 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.249 4.984 -9.929 1.00 0.00 H new ATOM 1153 N THR A 71 105.307 2.609 -8.858 1.00 0.00 N ATOM 1154 CA THR A 71 104.099 2.256 -9.650 1.00 0.00 C ATOM 1155 C THR A 71 103.890 3.316 -10.738 1.00 0.00 C ATOM 1156 O THR A 71 104.197 4.475 -10.537 1.00 0.00 O ATOM 1157 CB THR A 71 102.887 2.219 -8.720 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.912 3.363 -7.879 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.934 0.953 -7.862 1.00 0.00 C ATOM 0 H THR A 71 105.598 3.584 -8.925 1.00 0.00 H new ATOM 0 HA THR A 71 104.225 1.279 -10.116 1.00 0.00 H new ATOM 0 HB THR A 71 101.972 2.216 -9.312 1.00 0.00 H new ATOM 0 HG1 THR A 71 102.010 3.739 -7.812 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.068 0.930 -7.200 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.921 0.075 -8.508 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.847 0.951 -7.266 1.00 0.00 H new ATOM 1167 N PRO A 72 103.375 2.888 -11.862 1.00 0.00 N ATOM 1168 CA PRO A 72 103.117 3.782 -13.006 1.00 0.00 C ATOM 1169 C PRO A 72 101.862 4.623 -12.756 1.00 0.00 C ATOM 1170 O PRO A 72 101.947 5.773 -12.371 1.00 0.00 O ATOM 1171 CB PRO A 72 102.924 2.819 -14.180 1.00 0.00 C ATOM 1172 CG PRO A 72 102.531 1.455 -13.566 1.00 0.00 C ATOM 1173 CD PRO A 72 103.000 1.481 -12.097 1.00 0.00 C ATOM 0 HA PRO A 72 103.920 4.497 -13.185 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.147 3.180 -14.854 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.839 2.732 -14.765 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.454 1.299 -13.626 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.002 0.636 -14.109 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.208 1.162 -11.420 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.845 0.811 -11.937 1.00 0.00 H new ATOM 1181 N HIS A 73 100.698 4.070 -12.970 1.00 0.00 N ATOM 1182 CA HIS A 73 99.457 4.861 -12.736 1.00 0.00 C ATOM 1183 C HIS A 73 99.551 5.539 -11.365 1.00 0.00 C ATOM 1184 O HIS A 73 100.484 5.318 -10.620 1.00 0.00 O ATOM 1185 CB HIS A 73 98.228 3.941 -12.794 1.00 0.00 C ATOM 1186 CG HIS A 73 98.373 2.805 -11.817 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.500 2.629 -10.755 1.00 0.00 N ATOM 1188 CD2 HIS A 73 99.276 1.772 -11.732 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.890 1.529 -10.084 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.967 0.969 -10.638 1.00 0.00 N ATOM 0 H HIS A 73 100.554 3.114 -13.294 1.00 0.00 H new ATOM 0 HA HIS A 73 99.353 5.621 -13.510 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.328 4.512 -12.566 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.108 3.547 -13.803 1.00 0.00 H new ATOM 0 HD2 HIS A 73 100.100 1.608 -12.411 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.392 1.147 -9.205 1.00 0.00 H new ATOM 0 HE2 HIS A 73 99.459 0.131 -10.326 1.00 0.00 H new ATOM 1198 N ARG A 74 98.604 6.373 -11.030 1.00 0.00 N ATOM 1199 CA ARG A 74 98.661 7.068 -9.710 1.00 0.00 C ATOM 1200 C ARG A 74 97.682 6.410 -8.736 1.00 0.00 C ATOM 1201 O ARG A 74 96.657 5.886 -9.130 1.00 0.00 O ATOM 1202 CB ARG A 74 98.285 8.539 -9.894 1.00 0.00 C ATOM 1203 CG ARG A 74 99.264 9.199 -10.869 1.00 0.00 C ATOM 1204 CD ARG A 74 99.821 10.481 -10.248 1.00 0.00 C ATOM 1205 NE ARG A 74 101.088 10.856 -10.936 1.00 0.00 N ATOM 1206 CZ ARG A 74 101.277 12.084 -11.334 1.00 0.00 C ATOM 1207 NH1 ARG A 74 100.724 13.072 -10.685 1.00 0.00 N ATOM 1208 NH2 ARG A 74 102.018 12.325 -12.381 1.00 0.00 N ATOM 0 H ARG A 74 97.797 6.603 -11.609 1.00 0.00 H new ATOM 0 HA ARG A 74 99.671 6.996 -9.308 1.00 0.00 H new ATOM 0 HB2 ARG A 74 97.267 8.620 -10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.309 9.054 -8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 74 100.078 8.513 -11.103 1.00 0.00 H new ATOM 0 HG3 ARG A 74 98.760 9.427 -11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 74 99.093 11.287 -10.338 1.00 0.00 H new ATOM 0 HD3 ARG A 74 100.003 10.333 -9.183 1.00 0.00 H new ATOM 0 HE ARG A 74 101.808 10.152 -11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 74 100.144 12.884 -9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 74 100.871 14.032 -10.996 1.00 0.00 H new ATOM 0 HH21 ARG A 74 102.450 11.553 -12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 74 102.165 13.285 -12.691 1.00 0.00 H new ATOM 1222 N HIS A 75 97.988 6.429 -7.468 1.00 0.00 N ATOM 1223 CA HIS A 75 97.075 5.799 -6.469 1.00 0.00 C ATOM 1224 C HIS A 75 97.260 6.474 -5.112 1.00 0.00 C ATOM 1225 O HIS A 75 98.359 6.806 -4.717 1.00 0.00 O ATOM 1226 CB HIS A 75 97.398 4.305 -6.311 1.00 0.00 C ATOM 1227 CG HIS A 75 98.549 3.919 -7.197 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.430 3.847 -8.574 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.849 3.587 -6.915 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.628 3.484 -9.063 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.527 3.313 -8.095 1.00 0.00 N ATOM 0 H HIS A 75 98.830 6.853 -7.079 1.00 0.00 H new ATOM 0 HA HIS A 75 96.050 5.917 -6.820 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.643 4.088 -5.271 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.521 3.709 -6.563 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.588 4.035 -9.118 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.280 3.545 -5.926 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.837 3.347 -10.114 1.00 0.00 H new ATOM 1239 N ARG A 76 96.195 6.659 -4.385 1.00 0.00 N ATOM 1240 CA ARG A 76 96.317 7.289 -3.044 1.00 0.00 C ATOM 1241 C ARG A 76 96.905 6.260 -2.077 1.00 0.00 C ATOM 1242 O ARG A 76 96.654 5.075 -2.195 1.00 0.00 O ATOM 1243 CB ARG A 76 94.934 7.724 -2.553 1.00 0.00 C ATOM 1244 CG ARG A 76 95.052 9.041 -1.784 1.00 0.00 C ATOM 1245 CD ARG A 76 93.754 9.837 -1.937 1.00 0.00 C ATOM 1246 NE ARG A 76 92.842 9.520 -0.802 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.717 8.898 -1.024 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.723 7.643 -1.378 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.583 9.531 -0.889 1.00 0.00 N ATOM 0 H ARG A 76 95.247 6.402 -4.661 1.00 0.00 H new ATOM 0 HA ARG A 76 96.965 8.164 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.258 7.845 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.506 6.954 -1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.248 8.843 -0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 76 95.894 9.621 -2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.970 10.905 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.273 9.591 -2.884 1.00 0.00 H new ATOM 0 HE ARG A 76 93.097 9.789 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 76 92.608 7.147 -1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.843 7.158 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.577 10.512 -0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.704 9.044 -1.063 1.00 0.00 H new ATOM 1263 N VAL A 77 97.686 6.690 -1.127 1.00 0.00 N ATOM 1264 CA VAL A 77 98.277 5.715 -0.170 1.00 0.00 C ATOM 1265 C VAL A 77 97.144 4.960 0.528 1.00 0.00 C ATOM 1266 O VAL A 77 97.350 3.913 1.110 1.00 0.00 O ATOM 1267 CB VAL A 77 99.144 6.457 0.853 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.314 5.606 2.116 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.517 6.721 0.234 1.00 0.00 C ATOM 0 H VAL A 77 97.939 7.666 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 77 98.908 5.002 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 77 98.663 7.397 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.932 6.143 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.336 5.406 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.795 4.663 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 77 101.144 7.249 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.986 5.773 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.401 7.330 -0.663 1.00 0.00 H new ATOM 1279 N SER A 78 95.947 5.474 0.462 1.00 0.00 N ATOM 1280 CA SER A 78 94.805 4.772 1.107 1.00 0.00 C ATOM 1281 C SER A 78 94.484 3.517 0.293 1.00 0.00 C ATOM 1282 O SER A 78 94.185 2.470 0.834 1.00 0.00 O ATOM 1283 CB SER A 78 93.584 5.692 1.131 1.00 0.00 C ATOM 1284 OG SER A 78 92.401 4.904 1.100 1.00 0.00 O ATOM 0 H SER A 78 95.712 6.347 -0.010 1.00 0.00 H new ATOM 0 HA SER A 78 95.064 4.499 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 78 93.599 6.311 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.607 6.368 0.276 1.00 0.00 H new ATOM 0 HG SER A 78 91.616 5.491 1.117 1.00 0.00 H new ATOM 1290 N ALA A 79 94.557 3.615 -1.007 1.00 0.00 N ATOM 1291 CA ALA A 79 94.270 2.431 -1.864 1.00 0.00 C ATOM 1292 C ALA A 79 95.419 1.432 -1.735 1.00 0.00 C ATOM 1293 O ALA A 79 95.228 0.304 -1.324 1.00 0.00 O ATOM 1294 CB ALA A 79 94.138 2.875 -3.322 1.00 0.00 C ATOM 0 H ALA A 79 94.804 4.466 -1.513 1.00 0.00 H new ATOM 0 HA ALA A 79 93.339 1.963 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.928 2.008 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.323 3.593 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 79 95.069 3.340 -3.646 1.00 0.00 H new ATOM 1300 N ILE A 80 96.615 1.835 -2.072 1.00 0.00 N ATOM 1301 CA ILE A 80 97.768 0.898 -1.950 1.00 0.00 C ATOM 1302 C ILE A 80 97.813 0.371 -0.516 1.00 0.00 C ATOM 1303 O ILE A 80 98.230 -0.742 -0.261 1.00 0.00 O ATOM 1304 CB ILE A 80 99.073 1.631 -2.271 1.00 0.00 C ATOM 1305 CG1 ILE A 80 99.052 2.099 -3.730 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.257 0.686 -2.056 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.251 0.898 -4.657 1.00 0.00 C ATOM 0 H ILE A 80 96.842 2.765 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 80 97.650 0.072 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 80 99.174 2.495 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 80 98.104 2.589 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.838 2.835 -3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.186 1.209 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.274 0.354 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 80 100.156 -0.179 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.236 1.233 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.210 0.427 -4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.449 0.178 -4.496 1.00 0.00 H new ATOM 1319 N ASN A 81 97.372 1.165 0.424 1.00 0.00 N ATOM 1320 CA ASN A 81 97.374 0.713 1.842 1.00 0.00 C ATOM 1321 C ASN A 81 96.484 -0.521 1.967 1.00 0.00 C ATOM 1322 O ASN A 81 96.824 -1.479 2.631 1.00 0.00 O ATOM 1323 CB ASN A 81 96.830 1.826 2.740 1.00 0.00 C ATOM 1324 CG ASN A 81 96.600 1.273 4.148 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.453 0.604 4.696 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.476 1.525 4.761 1.00 0.00 N ATOM 0 H ASN A 81 97.011 2.106 0.269 1.00 0.00 H new ATOM 0 HA ASN A 81 98.392 0.472 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.533 2.658 2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.897 2.214 2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.314 1.160 5.700 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.759 2.087 4.301 1.00 0.00 H new ATOM 1333 N ASN A 82 95.349 -0.513 1.321 1.00 0.00 N ATOM 1334 CA ASN A 82 94.447 -1.694 1.391 1.00 0.00 C ATOM 1335 C ASN A 82 95.201 -2.912 0.862 1.00 0.00 C ATOM 1336 O ASN A 82 94.948 -4.034 1.252 1.00 0.00 O ATOM 1337 CB ASN A 82 93.204 -1.444 0.533 1.00 0.00 C ATOM 1338 CG ASN A 82 92.028 -2.245 1.094 1.00 0.00 C ATOM 1339 OD1 ASN A 82 92.086 -2.738 2.203 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.952 -2.397 0.369 1.00 0.00 N ATOM 0 H ASN A 82 95.009 0.260 0.749 1.00 0.00 H new ATOM 0 HA ASN A 82 94.136 -1.866 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.963 -0.381 0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.397 -1.736 -0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 82 90.162 -2.929 0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.902 -1.984 -0.562 1.00 0.00 H new ATOM 1347 N TYR A 83 96.138 -2.691 -0.020 1.00 0.00 N ATOM 1348 CA TYR A 83 96.930 -3.821 -0.576 1.00 0.00 C ATOM 1349 C TYR A 83 97.779 -4.427 0.540 1.00 0.00 C ATOM 1350 O TYR A 83 97.582 -5.556 0.942 1.00 0.00 O ATOM 1351 CB TYR A 83 97.849 -3.295 -1.688 1.00 0.00 C ATOM 1352 CG TYR A 83 98.654 -4.432 -2.281 1.00 0.00 C ATOM 1353 CD1 TYR A 83 99.622 -5.090 -1.509 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.434 -4.826 -3.608 1.00 0.00 C ATOM 1355 CE1 TYR A 83 100.361 -6.139 -2.060 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.181 -5.876 -4.157 1.00 0.00 C ATOM 1357 CZ TYR A 83 100.142 -6.530 -3.382 1.00 0.00 C ATOM 1358 OH TYR A 83 100.874 -7.568 -3.919 1.00 0.00 O ATOM 0 H TYR A 83 96.389 -1.770 -0.380 1.00 0.00 H new ATOM 0 HA TYR A 83 96.262 -4.579 -0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 83 97.254 -2.816 -2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 83 98.520 -2.535 -1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 83 99.796 -4.785 -0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 83 97.690 -4.321 -4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 83 101.103 -6.648 -1.463 1.00 0.00 H new ATOM 0 HE2 TYR A 83 99.014 -6.180 -5.180 1.00 0.00 H new ATOM 0 HH TYR A 83 101.688 -7.702 -3.390 1.00 0.00 H new ATOM 1368 N ALA A 84 98.726 -3.681 1.039 1.00 0.00 N ATOM 1369 CA ALA A 84 99.602 -4.206 2.125 1.00 0.00 C ATOM 1370 C ALA A 84 98.747 -4.662 3.308 1.00 0.00 C ATOM 1371 O ALA A 84 99.171 -5.461 4.119 1.00 0.00 O ATOM 1372 CB ALA A 84 100.559 -3.104 2.584 1.00 0.00 C ATOM 0 H ALA A 84 98.932 -2.728 0.741 1.00 0.00 H new ATOM 0 HA ALA A 84 100.173 -5.054 1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.200 -3.486 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.174 -2.783 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.985 -2.256 2.958 1.00 0.00 H new ATOM 1378 N GLN A 85 97.548 -4.163 3.417 1.00 0.00 N ATOM 1379 CA GLN A 85 96.677 -4.572 4.554 1.00 0.00 C ATOM 1380 C GLN A 85 96.121 -5.973 4.292 1.00 0.00 C ATOM 1381 O GLN A 85 96.033 -6.791 5.186 1.00 0.00 O ATOM 1382 CB GLN A 85 95.520 -3.580 4.692 1.00 0.00 C ATOM 1383 CG GLN A 85 95.959 -2.392 5.550 1.00 0.00 C ATOM 1384 CD GLN A 85 96.070 -2.828 7.012 1.00 0.00 C ATOM 1385 OE1 GLN A 85 95.235 -3.559 7.505 1.00 0.00 O ATOM 1386 NE2 GLN A 85 97.073 -2.404 7.731 1.00 0.00 N ATOM 0 H GLN A 85 97.134 -3.492 2.770 1.00 0.00 H new ATOM 0 HA GLN A 85 97.260 -4.580 5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.206 -3.234 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.660 -4.071 5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 85 96.919 -2.012 5.199 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.241 -1.578 5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.774 -1.790 7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.156 -2.687 8.708 1.00 0.00 H new ATOM 1395 N LYS A 86 95.749 -6.259 3.073 1.00 0.00 N ATOM 1396 CA LYS A 86 95.206 -7.610 2.763 1.00 0.00 C ATOM 1397 C LYS A 86 96.264 -8.660 3.101 1.00 0.00 C ATOM 1398 O LYS A 86 95.977 -9.836 3.209 1.00 0.00 O ATOM 1399 CB LYS A 86 94.858 -7.697 1.275 1.00 0.00 C ATOM 1400 CG LYS A 86 93.519 -7.000 1.022 1.00 0.00 C ATOM 1401 CD LYS A 86 92.388 -8.029 1.068 1.00 0.00 C ATOM 1402 CE LYS A 86 91.342 -7.591 2.096 1.00 0.00 C ATOM 1403 NZ LYS A 86 90.039 -7.360 1.411 1.00 0.00 N ATOM 0 H LYS A 86 95.798 -5.617 2.282 1.00 0.00 H new ATOM 0 HA LYS A 86 94.306 -7.788 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.642 -7.229 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.801 -8.740 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 86 93.352 -6.227 1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.533 -6.504 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.929 -8.125 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.784 -9.010 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.230 -8.355 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.668 -6.680 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 89.328 -7.062 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.151 -6.616 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 89.727 -8.240 0.953 1.00 0.00 H new ATOM 1417 N LEU A 87 97.488 -8.241 3.268 1.00 0.00 N ATOM 1418 CA LEU A 87 98.571 -9.204 3.599 1.00 0.00 C ATOM 1419 C LEU A 87 99.041 -8.967 5.036 1.00 0.00 C ATOM 1420 O LEU A 87 100.222 -8.902 5.310 1.00 0.00 O ATOM 1421 CB LEU A 87 99.741 -8.991 2.636 1.00 0.00 C ATOM 1422 CG LEU A 87 99.200 -8.769 1.223 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.437 -7.317 0.811 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.923 -9.699 0.249 1.00 0.00 C ATOM 0 H LEU A 87 97.784 -7.268 3.189 1.00 0.00 H new ATOM 0 HA LEU A 87 98.199 -10.224 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.333 -8.132 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.403 -9.857 2.652 1.00 0.00 H new ATOM 0 HG LEU A 87 98.131 -8.983 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.052 -7.157 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 87 98.923 -6.653 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.506 -7.104 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.538 -9.541 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.992 -9.485 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.756 -10.735 0.543 1.00 0.00 H new ATOM 1436 N CYS A 88 98.124 -8.836 5.957 1.00 0.00 N ATOM 1437 CA CYS A 88 98.521 -8.600 7.375 1.00 0.00 C ATOM 1438 C CYS A 88 97.843 -9.633 8.280 1.00 0.00 C ATOM 1439 O CYS A 88 97.367 -9.314 9.351 1.00 0.00 O ATOM 1440 CB CYS A 88 98.092 -7.194 7.797 1.00 0.00 C ATOM 1441 SG CYS A 88 96.286 -7.119 7.899 1.00 0.00 S ATOM 0 H CYS A 88 97.119 -8.882 5.789 1.00 0.00 H new ATOM 0 HA CYS A 88 99.603 -8.695 7.467 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.532 -6.942 8.762 1.00 0.00 H new ATOM 0 HB3 CYS A 88 98.457 -6.460 7.079 1.00 0.00 H new ATOM 0 HG CYS A 88 95.783 -7.126 6.700 1.00 0.00 H new ATOM 1447 N THR A 89 97.799 -10.868 7.862 1.00 0.00 N ATOM 1448 CA THR A 89 97.157 -11.918 8.703 1.00 0.00 C ATOM 1449 C THR A 89 98.189 -12.995 9.040 1.00 0.00 C ATOM 1450 O THR A 89 97.854 -14.136 9.292 1.00 0.00 O ATOM 1451 CB THR A 89 95.991 -12.547 7.936 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.480 -13.594 7.108 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.315 -11.483 7.068 1.00 0.00 C ATOM 0 H THR A 89 98.180 -11.196 6.974 1.00 0.00 H new ATOM 0 HA THR A 89 96.782 -11.470 9.624 1.00 0.00 H new ATOM 0 HB THR A 89 95.267 -12.950 8.644 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.284 -13.290 6.636 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.485 -11.932 6.522 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.940 -10.680 7.703 1.00 0.00 H new ATOM 0 HG23 THR A 89 96.038 -11.078 6.360 1.00 0.00 H new ATOM 1461 N PHE A 90 99.444 -12.640 9.039 1.00 0.00 N ATOM 1462 CA PHE A 90 100.509 -13.638 9.351 1.00 0.00 C ATOM 1463 C PHE A 90 101.692 -12.927 10.013 1.00 0.00 C ATOM 1464 O PHE A 90 102.779 -13.463 10.103 1.00 0.00 O ATOM 1465 CB PHE A 90 100.980 -14.317 8.056 1.00 0.00 C ATOM 1466 CG PHE A 90 100.672 -13.427 6.874 1.00 0.00 C ATOM 1467 CD1 PHE A 90 99.435 -13.530 6.226 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.618 -12.494 6.433 1.00 0.00 C ATOM 1469 CE1 PHE A 90 99.145 -12.699 5.138 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.327 -11.665 5.344 1.00 0.00 C ATOM 1471 CZ PHE A 90 100.091 -11.768 4.697 1.00 0.00 C ATOM 0 H PHE A 90 99.780 -11.699 8.835 1.00 0.00 H new ATOM 0 HA PHE A 90 100.109 -14.393 10.028 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.051 -14.514 8.106 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.484 -15.280 7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.705 -14.250 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.572 -12.414 6.933 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.190 -12.777 4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.057 -10.946 5.003 1.00 0.00 H new ATOM 0 HZ PHE A 90 99.867 -11.128 3.856 1.00 0.00 H new ATOM 1481 N SER A 91 101.485 -11.723 10.475 1.00 0.00 N ATOM 1482 CA SER A 91 102.591 -10.967 11.132 1.00 0.00 C ATOM 1483 C SER A 91 102.233 -9.479 11.157 1.00 0.00 C ATOM 1484 O SER A 91 101.179 -9.078 10.705 1.00 0.00 O ATOM 1485 CB SER A 91 103.888 -11.165 10.346 1.00 0.00 C ATOM 1486 OG SER A 91 104.793 -11.939 11.122 1.00 0.00 O ATOM 0 H SER A 91 100.594 -11.229 10.426 1.00 0.00 H new ATOM 0 HA SER A 91 102.729 -11.332 12.150 1.00 0.00 H new ATOM 0 HB2 SER A 91 103.681 -11.666 9.400 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.332 -10.199 10.105 1.00 0.00 H new ATOM 0 HG SER A 91 104.499 -12.874 11.131 1.00 0.00 H new ATOM 1492 N PHE A 92 103.100 -8.656 11.679 1.00 0.00 N ATOM 1493 CA PHE A 92 102.804 -7.197 11.727 1.00 0.00 C ATOM 1494 C PHE A 92 102.893 -6.617 10.312 1.00 0.00 C ATOM 1495 O PHE A 92 103.385 -7.252 9.404 1.00 0.00 O ATOM 1496 CB PHE A 92 103.817 -6.499 12.642 1.00 0.00 C ATOM 1497 CG PHE A 92 105.127 -6.307 11.912 1.00 0.00 C ATOM 1498 CD1 PHE A 92 106.059 -7.351 11.856 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.409 -5.085 11.289 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.268 -7.172 11.179 1.00 0.00 C ATOM 1501 CE2 PHE A 92 106.619 -4.908 10.612 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.548 -5.951 10.556 1.00 0.00 C ATOM 0 H PHE A 92 104.000 -8.930 12.074 1.00 0.00 H new ATOM 0 HA PHE A 92 101.800 -7.038 12.120 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.425 -5.534 12.963 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.976 -7.093 13.542 1.00 0.00 H new ATOM 0 HD1 PHE A 92 105.843 -8.294 12.336 1.00 0.00 H new ATOM 0 HD2 PHE A 92 104.691 -4.279 11.332 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.987 -7.977 11.137 1.00 0.00 H new ATOM 0 HE2 PHE A 92 106.836 -3.965 10.132 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.482 -5.814 10.032 1.00 0.00 H new ATOM 1512 N LEU A 93 102.426 -5.414 10.119 1.00 0.00 N ATOM 1513 CA LEU A 93 102.492 -4.802 8.762 1.00 0.00 C ATOM 1514 C LEU A 93 102.655 -3.287 8.892 1.00 0.00 C ATOM 1515 O LEU A 93 101.914 -2.632 9.597 1.00 0.00 O ATOM 1516 CB LEU A 93 101.202 -5.116 7.999 1.00 0.00 C ATOM 1517 CG LEU A 93 101.304 -4.569 6.575 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.264 -5.730 5.579 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.127 -3.629 6.306 1.00 0.00 C ATOM 0 H LEU A 93 102.003 -4.830 10.840 1.00 0.00 H new ATOM 0 HA LEU A 93 103.344 -5.211 8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.034 -6.193 7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.348 -4.672 8.510 1.00 0.00 H new ATOM 0 HG LEU A 93 102.241 -4.023 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.337 -5.341 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.100 -6.403 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.327 -6.275 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.198 -3.238 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.191 -4.176 6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.152 -2.802 7.016 1.00 0.00 H new ATOM 1531 N ILE A 94 103.623 -2.724 8.221 1.00 0.00 N ATOM 1532 CA ILE A 94 103.833 -1.251 8.312 1.00 0.00 C ATOM 1533 C ILE A 94 104.076 -0.679 6.915 1.00 0.00 C ATOM 1534 O ILE A 94 105.153 -0.210 6.603 1.00 0.00 O ATOM 1535 CB ILE A 94 105.048 -0.965 9.197 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.899 -1.716 10.522 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.137 0.537 9.470 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.278 -1.937 11.144 1.00 0.00 C ATOM 0 H ILE A 94 104.277 -3.220 7.615 1.00 0.00 H new ATOM 0 HA ILE A 94 102.947 -0.785 8.744 1.00 0.00 H new ATOM 0 HB ILE A 94 105.954 -1.296 8.690 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.268 -1.147 11.205 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.406 -2.674 10.355 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.002 0.742 10.100 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.241 1.073 8.526 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.231 0.869 9.978 1.00 0.00 H new ATOM 0 HD11 ILE A 94 106.170 -2.472 12.088 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.895 -2.523 10.463 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.754 -0.973 11.326 1.00 0.00 H new ATOM 1550 N CYS A 95 103.082 -0.708 6.070 1.00 0.00 N ATOM 1551 CA CYS A 95 103.258 -0.162 4.695 1.00 0.00 C ATOM 1552 C CYS A 95 103.079 1.359 4.728 1.00 0.00 C ATOM 1553 O CYS A 95 102.231 1.877 5.427 1.00 0.00 O ATOM 1554 CB CYS A 95 102.212 -0.780 3.764 1.00 0.00 C ATOM 1555 SG CYS A 95 102.254 0.066 2.165 1.00 0.00 S ATOM 0 H CYS A 95 102.156 -1.086 6.272 1.00 0.00 H new ATOM 0 HA CYS A 95 104.256 -0.404 4.330 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.411 -1.843 3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.220 -0.695 4.207 1.00 0.00 H new ATOM 0 HG CYS A 95 101.368 -0.460 1.373 1.00 0.00 H new ATOM 1561 N LYS A 96 103.870 2.080 3.981 1.00 0.00 N ATOM 1562 CA LYS A 96 103.741 3.565 3.977 1.00 0.00 C ATOM 1563 C LYS A 96 103.952 4.096 2.556 1.00 0.00 C ATOM 1564 O LYS A 96 104.214 3.346 1.637 1.00 0.00 O ATOM 1565 CB LYS A 96 104.794 4.170 4.909 1.00 0.00 C ATOM 1566 CG LYS A 96 104.102 4.877 6.076 1.00 0.00 C ATOM 1567 CD LYS A 96 104.910 4.657 7.357 1.00 0.00 C ATOM 1568 CE LYS A 96 106.048 5.677 7.427 1.00 0.00 C ATOM 1569 NZ LYS A 96 105.500 7.009 7.810 1.00 0.00 N ATOM 0 H LYS A 96 104.599 1.706 3.374 1.00 0.00 H new ATOM 0 HA LYS A 96 102.745 3.843 4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 96 105.454 3.388 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 96 105.417 4.877 4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 96 104.013 5.943 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 96 103.090 4.491 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 96 104.263 4.758 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 96 105.314 3.645 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 96 106.794 5.356 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 96 106.551 5.743 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 106.150 7.474 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 105.395 7.599 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 104.572 6.885 8.262 1.00 0.00 H new ATOM 1583 N GLY A 97 103.840 5.384 2.369 1.00 0.00 N ATOM 1584 CA GLY A 97 104.036 5.959 1.008 1.00 0.00 C ATOM 1585 C GLY A 97 105.381 6.687 0.952 1.00 0.00 C ATOM 1586 O GLY A 97 106.116 6.727 1.918 1.00 0.00 O ATOM 0 H GLY A 97 103.621 6.062 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 97 104.007 5.167 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.226 6.650 0.773 1.00 0.00 H new ATOM 1590 N VAL A 98 105.710 7.263 -0.172 1.00 0.00 N ATOM 1591 CA VAL A 98 107.009 7.985 -0.284 1.00 0.00 C ATOM 1592 C VAL A 98 106.860 9.167 -1.246 1.00 0.00 C ATOM 1593 O VAL A 98 106.299 9.043 -2.317 1.00 0.00 O ATOM 1594 CB VAL A 98 108.080 7.032 -0.817 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.357 7.818 -1.122 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.380 5.964 0.237 1.00 0.00 C ATOM 0 H VAL A 98 105.137 7.265 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 98 107.302 8.351 0.700 1.00 0.00 H new ATOM 0 HB VAL A 98 107.721 6.555 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.120 7.139 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.145 8.581 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.717 8.295 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 98 109.143 5.284 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.740 6.443 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.471 5.404 0.456 1.00 0.00 H new ATOM 1606 N ASN A 99 107.365 10.312 -0.874 1.00 0.00 N ATOM 1607 CA ASN A 99 107.259 11.498 -1.770 1.00 0.00 C ATOM 1608 C ASN A 99 108.534 11.606 -2.609 1.00 0.00 C ATOM 1609 O ASN A 99 108.499 11.971 -3.767 1.00 0.00 O ATOM 1610 CB ASN A 99 107.092 12.763 -0.926 1.00 0.00 C ATOM 1611 CG ASN A 99 105.832 12.642 -0.065 1.00 0.00 C ATOM 1612 OD1 ASN A 99 105.226 11.591 0.000 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.410 13.682 0.602 1.00 0.00 N ATOM 0 H ASN A 99 107.846 10.477 0.010 1.00 0.00 H new ATOM 0 HA ASN A 99 106.396 11.388 -2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.966 12.907 -0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.020 13.637 -1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.571 13.612 1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.919 14.564 0.547 1.00 0.00 H new ATOM 1620 N LYS A 100 109.661 11.287 -2.031 1.00 0.00 N ATOM 1621 CA LYS A 100 110.939 11.364 -2.792 1.00 0.00 C ATOM 1622 C LYS A 100 111.475 9.948 -3.023 1.00 0.00 C ATOM 1623 O LYS A 100 112.169 9.395 -2.197 1.00 0.00 O ATOM 1624 CB LYS A 100 111.964 12.175 -1.993 1.00 0.00 C ATOM 1625 CG LYS A 100 111.245 13.261 -1.191 1.00 0.00 C ATOM 1626 CD LYS A 100 112.196 14.435 -0.952 1.00 0.00 C ATOM 1627 CE LYS A 100 111.882 15.557 -1.944 1.00 0.00 C ATOM 1628 NZ LYS A 100 113.154 16.093 -2.508 1.00 0.00 N ATOM 0 H LYS A 100 109.751 10.976 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 100 110.764 11.850 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 100 112.518 11.519 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.691 12.628 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 100 110.360 13.600 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 100 110.902 12.857 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 100 112.091 14.799 0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.229 14.109 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 100 111.246 15.181 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 100 111.329 16.353 -1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 112.941 16.856 -3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 113.745 16.467 -1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 113.665 15.331 -2.998 1.00 0.00 H new ATOM 1642 N GLU A 101 111.148 9.357 -4.139 1.00 0.00 N ATOM 1643 CA GLU A 101 111.628 7.973 -4.423 1.00 0.00 C ATOM 1644 C GLU A 101 113.160 7.927 -4.375 1.00 0.00 C ATOM 1645 O GLU A 101 113.743 7.354 -3.475 1.00 0.00 O ATOM 1646 CB GLU A 101 111.149 7.535 -5.812 1.00 0.00 C ATOM 1647 CG GLU A 101 111.079 8.742 -6.754 1.00 0.00 C ATOM 1648 CD GLU A 101 109.617 9.120 -6.990 1.00 0.00 C ATOM 1649 OE1 GLU A 101 108.890 9.231 -6.015 1.00 0.00 O ATOM 1650 OE2 GLU A 101 109.247 9.291 -8.139 1.00 0.00 O ATOM 0 H GLU A 101 110.568 9.772 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 101 111.225 7.298 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.828 6.786 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.167 7.067 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 101 111.619 9.585 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 101 111.562 8.505 -7.702 1.00 0.00 H new ATOM 1657 N TYR A 102 113.810 8.511 -5.349 1.00 0.00 N ATOM 1658 CA TYR A 102 115.303 8.501 -5.391 1.00 0.00 C ATOM 1659 C TYR A 102 115.886 8.623 -3.980 1.00 0.00 C ATOM 1660 O TYR A 102 116.513 7.713 -3.482 1.00 0.00 O ATOM 1661 CB TYR A 102 115.789 9.673 -6.245 1.00 0.00 C ATOM 1662 CG TYR A 102 117.174 9.378 -6.767 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.335 8.657 -7.956 1.00 0.00 C ATOM 1664 CD2 TYR A 102 118.298 9.828 -6.064 1.00 0.00 C ATOM 1665 CE1 TYR A 102 118.619 8.385 -8.442 1.00 0.00 C ATOM 1666 CE2 TYR A 102 119.582 9.557 -6.549 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.743 8.835 -7.739 1.00 0.00 C ATOM 1668 OH TYR A 102 121.010 8.568 -8.218 1.00 0.00 O ATOM 0 H TYR A 102 113.364 9.000 -6.126 1.00 0.00 H new ATOM 0 HA TYR A 102 115.636 7.558 -5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.104 9.839 -7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.800 10.588 -5.653 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.468 8.310 -8.499 1.00 0.00 H new ATOM 0 HD2 TYR A 102 118.174 10.385 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.743 7.828 -9.359 1.00 0.00 H new ATOM 0 HE2 TYR A 102 120.449 9.904 -6.006 1.00 0.00 H new ATOM 0 HH TYR A 102 121.677 8.952 -7.611 1.00 0.00 H new ATOM 1678 N LEU A 103 115.703 9.744 -3.336 1.00 0.00 N ATOM 1679 CA LEU A 103 116.264 9.920 -1.966 1.00 0.00 C ATOM 1680 C LEU A 103 115.947 8.703 -1.094 1.00 0.00 C ATOM 1681 O LEU A 103 116.833 8.043 -0.594 1.00 0.00 O ATOM 1682 CB LEU A 103 115.669 11.172 -1.331 1.00 0.00 C ATOM 1683 CG LEU A 103 116.801 12.138 -0.993 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.620 11.577 0.169 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.710 12.313 -2.210 1.00 0.00 C ATOM 0 H LEU A 103 115.189 10.546 -3.700 1.00 0.00 H new ATOM 0 HA LEU A 103 117.347 10.022 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.963 11.643 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.114 10.911 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 103 116.378 13.103 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.429 12.267 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.977 11.452 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 103 118.039 10.611 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.517 13.003 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 103 118.131 11.348 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 103 117.131 12.713 -3.042 1.00 0.00 H new ATOM 1697 N MET A 104 114.694 8.408 -0.895 1.00 0.00 N ATOM 1698 CA MET A 104 114.326 7.241 -0.042 1.00 0.00 C ATOM 1699 C MET A 104 115.216 6.040 -0.379 1.00 0.00 C ATOM 1700 O MET A 104 116.155 5.734 0.328 1.00 0.00 O ATOM 1701 CB MET A 104 112.862 6.870 -0.285 1.00 0.00 C ATOM 1702 CG MET A 104 112.482 5.690 0.610 1.00 0.00 C ATOM 1703 SD MET A 104 112.746 6.138 2.343 1.00 0.00 S ATOM 1704 CE MET A 104 112.618 4.470 3.031 1.00 0.00 C ATOM 0 H MET A 104 113.906 8.924 -1.286 1.00 0.00 H new ATOM 0 HA MET A 104 114.469 7.510 1.005 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.219 7.724 -0.072 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.710 6.610 -1.333 1.00 0.00 H new ATOM 0 HG2 MET A 104 111.439 5.418 0.448 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.082 4.817 0.353 1.00 0.00 H new ATOM 0 HE1 MET A 104 111.975 4.488 3.911 1.00 0.00 H new ATOM 0 HE2 MET A 104 112.192 3.800 2.284 1.00 0.00 H new ATOM 0 HE3 MET A 104 113.610 4.116 3.313 1.00 0.00 H new ATOM 1714 N TYR A 105 114.923 5.353 -1.449 1.00 0.00 N ATOM 1715 CA TYR A 105 115.743 4.164 -1.827 1.00 0.00 C ATOM 1716 C TYR A 105 117.235 4.484 -1.688 1.00 0.00 C ATOM 1717 O TYR A 105 118.053 3.603 -1.512 1.00 0.00 O ATOM 1718 CB TYR A 105 115.439 3.781 -3.277 1.00 0.00 C ATOM 1719 CG TYR A 105 116.386 2.694 -3.719 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.080 1.353 -3.461 1.00 0.00 C ATOM 1721 CD2 TYR A 105 117.572 3.026 -4.384 1.00 0.00 C ATOM 1722 CE1 TYR A 105 116.960 0.345 -3.868 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.451 2.018 -4.792 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.145 0.677 -4.534 1.00 0.00 C ATOM 1725 OH TYR A 105 119.013 -0.319 -4.936 1.00 0.00 O ATOM 0 H TYR A 105 114.150 5.563 -2.080 1.00 0.00 H new ATOM 0 HA TYR A 105 115.495 3.335 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.408 3.438 -3.365 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.541 4.652 -3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.165 1.097 -2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 105 117.808 4.061 -4.582 1.00 0.00 H new ATOM 0 HE1 TYR A 105 116.725 -0.690 -3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 105 119.366 2.274 -5.306 1.00 0.00 H new ATOM 0 HH TYR A 105 118.599 -1.194 -4.784 1.00 0.00 H new ATOM 1735 N SER A 106 117.597 5.733 -1.771 1.00 0.00 N ATOM 1736 CA SER A 106 119.036 6.104 -1.649 1.00 0.00 C ATOM 1737 C SER A 106 119.532 5.790 -0.236 1.00 0.00 C ATOM 1738 O SER A 106 120.475 5.046 -0.051 1.00 0.00 O ATOM 1739 CB SER A 106 119.200 7.598 -1.928 1.00 0.00 C ATOM 1740 OG SER A 106 119.174 8.311 -0.698 1.00 0.00 O ATOM 0 H SER A 106 116.959 6.515 -1.918 1.00 0.00 H new ATOM 0 HA SER A 106 119.620 5.532 -2.370 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.140 7.782 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 106 118.401 7.948 -2.581 1.00 0.00 H new ATOM 0 HG SER A 106 118.269 8.648 -0.535 1.00 0.00 H new ATOM 1746 N ALA A 107 118.908 6.352 0.762 1.00 0.00 N ATOM 1747 CA ALA A 107 119.347 6.087 2.161 1.00 0.00 C ATOM 1748 C ALA A 107 119.113 4.612 2.500 1.00 0.00 C ATOM 1749 O ALA A 107 119.702 4.075 3.416 1.00 0.00 O ATOM 1750 CB ALA A 107 118.543 6.968 3.121 1.00 0.00 C ATOM 0 H ALA A 107 118.113 6.984 0.669 1.00 0.00 H new ATOM 0 HA ALA A 107 120.408 6.316 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.862 6.776 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.711 8.017 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.482 6.739 3.023 1.00 0.00 H new ATOM 1756 N LEU A 108 118.255 3.953 1.767 1.00 0.00 N ATOM 1757 CA LEU A 108 117.986 2.514 2.050 1.00 0.00 C ATOM 1758 C LEU A 108 119.146 1.663 1.532 1.00 0.00 C ATOM 1759 O LEU A 108 119.486 0.647 2.105 1.00 0.00 O ATOM 1760 CB LEU A 108 116.695 2.090 1.347 1.00 0.00 C ATOM 1761 CG LEU A 108 115.490 2.552 2.167 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.208 2.008 1.536 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.617 2.025 3.598 1.00 0.00 C ATOM 0 H LEU A 108 117.730 4.348 0.987 1.00 0.00 H new ATOM 0 HA LEU A 108 117.882 2.371 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.655 2.522 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.673 1.007 1.227 1.00 0.00 H new ATOM 0 HG LEU A 108 115.455 3.641 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.348 2.336 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.118 2.381 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.243 0.919 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.759 2.353 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.651 0.936 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.532 2.410 4.048 1.00 0.00 H new ATOM 1775 N THR A 109 119.758 2.067 0.453 1.00 0.00 N ATOM 1776 CA THR A 109 120.894 1.277 -0.099 1.00 0.00 C ATOM 1777 C THR A 109 122.160 1.586 0.700 1.00 0.00 C ATOM 1778 O THR A 109 123.031 0.752 0.851 1.00 0.00 O ATOM 1779 CB THR A 109 121.119 1.655 -1.565 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.453 3.034 -1.650 1.00 0.00 O ATOM 1781 CG2 THR A 109 119.846 1.387 -2.368 1.00 0.00 C ATOM 0 H THR A 109 119.520 2.910 -0.070 1.00 0.00 H new ATOM 0 HA THR A 109 120.663 0.214 -0.029 1.00 0.00 H new ATOM 0 HB THR A 109 121.933 1.056 -1.973 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.091 3.507 -0.871 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.010 1.657 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.591 0.329 -2.303 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.028 1.983 -1.963 1.00 0.00 H new ATOM 1789 N ARG A 110 122.270 2.780 1.214 1.00 0.00 N ATOM 1790 CA ARG A 110 123.479 3.141 2.002 1.00 0.00 C ATOM 1791 C ARG A 110 123.245 2.806 3.477 1.00 0.00 C ATOM 1792 O ARG A 110 122.152 2.950 3.988 1.00 0.00 O ATOM 1793 CB ARG A 110 123.754 4.639 1.855 1.00 0.00 C ATOM 1794 CG ARG A 110 125.254 4.865 1.659 1.00 0.00 C ATOM 1795 CD ARG A 110 125.513 6.341 1.351 1.00 0.00 C ATOM 1796 NE ARG A 110 125.786 6.503 -0.104 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.548 7.479 -0.519 1.00 0.00 C ATOM 1798 NH1 ARG A 110 126.313 8.701 -0.128 1.00 0.00 N ATOM 1799 NH2 ARG A 110 127.544 7.231 -1.325 1.00 0.00 N ATOM 0 H ARG A 110 121.574 3.520 1.122 1.00 0.00 H new ATOM 0 HA ARG A 110 124.336 2.577 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.201 5.040 1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.408 5.172 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.797 4.569 2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.623 4.243 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 110 124.650 6.941 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 110 126.361 6.702 1.934 1.00 0.00 H new ATOM 0 HE ARG A 110 125.378 5.852 -0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 110 125.534 8.894 0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 110 126.908 9.463 -0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 110 127.727 6.275 -1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 110 128.139 7.993 -1.649 1.00 0.00 H new ATOM 1813 N ASP A 111 124.263 2.360 4.159 1.00 0.00 N ATOM 1814 CA ASP A 111 124.107 2.015 5.601 1.00 0.00 C ATOM 1815 C ASP A 111 123.262 3.089 6.294 1.00 0.00 C ATOM 1816 O ASP A 111 123.177 4.205 5.822 1.00 0.00 O ATOM 1817 CB ASP A 111 125.490 1.953 6.254 1.00 0.00 C ATOM 1818 CG ASP A 111 126.350 0.916 5.531 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.799 -0.082 5.098 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.544 1.138 5.422 1.00 0.00 O ATOM 0 H ASP A 111 125.199 2.219 3.779 1.00 0.00 H new ATOM 0 HA ASP A 111 123.612 1.049 5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.968 2.931 6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.395 1.691 7.308 1.00 0.00 H new ATOM 1825 N PRO A 112 122.670 2.721 7.401 1.00 0.00 N ATOM 1826 CA PRO A 112 122.779 1.363 7.971 1.00 0.00 C ATOM 1827 C PRO A 112 121.795 0.404 7.288 1.00 0.00 C ATOM 1828 O PRO A 112 121.466 -0.638 7.819 1.00 0.00 O ATOM 1829 CB PRO A 112 122.390 1.565 9.438 1.00 0.00 C ATOM 1830 CG PRO A 112 121.540 2.859 9.492 1.00 0.00 C ATOM 1831 CD PRO A 112 121.844 3.644 8.202 1.00 0.00 C ATOM 0 HA PRO A 112 123.770 0.927 7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.823 0.712 9.810 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.276 1.656 10.066 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.478 2.622 9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.791 3.450 10.373 1.00 0.00 H new ATOM 0 HD2 PRO A 112 120.929 3.916 7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.376 4.571 8.416 1.00 0.00 H new ATOM 1839 N PHE A 113 121.318 0.743 6.121 1.00 0.00 N ATOM 1840 CA PHE A 113 120.355 -0.156 5.425 1.00 0.00 C ATOM 1841 C PHE A 113 121.077 -0.946 4.335 1.00 0.00 C ATOM 1842 O PHE A 113 121.680 -0.384 3.441 1.00 0.00 O ATOM 1843 CB PHE A 113 119.239 0.681 4.799 1.00 0.00 C ATOM 1844 CG PHE A 113 118.459 1.362 5.895 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.758 0.597 6.833 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.444 2.759 5.979 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.041 1.225 7.853 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.727 3.389 6.999 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.024 2.623 7.938 1.00 0.00 C ATOM 0 H PHE A 113 121.553 1.601 5.621 1.00 0.00 H new ATOM 0 HA PHE A 113 119.927 -0.853 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.661 1.423 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.580 0.046 4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.771 -0.481 6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 113 118.986 3.350 5.256 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.500 0.633 8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.715 4.467 7.064 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.470 3.110 8.727 1.00 0.00 H new ATOM 1859 N SER A 114 121.018 -2.247 4.401 1.00 0.00 N ATOM 1860 CA SER A 114 121.698 -3.078 3.370 1.00 0.00 C ATOM 1861 C SER A 114 120.726 -3.361 2.224 1.00 0.00 C ATOM 1862 O SER A 114 119.565 -3.007 2.278 1.00 0.00 O ATOM 1863 CB SER A 114 122.148 -4.397 3.997 1.00 0.00 C ATOM 1864 OG SER A 114 121.578 -4.518 5.295 1.00 0.00 O ATOM 0 H SER A 114 120.527 -2.771 5.126 1.00 0.00 H new ATOM 0 HA SER A 114 122.567 -2.544 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.839 -5.235 3.372 1.00 0.00 H new ATOM 0 HB3 SER A 114 123.236 -4.431 4.060 1.00 0.00 H new ATOM 0 HG SER A 114 121.863 -5.364 5.700 1.00 0.00 H new ATOM 1870 N VAL A 115 121.191 -4.001 1.187 1.00 0.00 N ATOM 1871 CA VAL A 115 120.294 -4.309 0.039 1.00 0.00 C ATOM 1872 C VAL A 115 120.185 -5.826 -0.121 1.00 0.00 C ATOM 1873 O VAL A 115 121.160 -6.542 -0.018 1.00 0.00 O ATOM 1874 CB VAL A 115 120.873 -3.696 -1.237 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.925 -3.964 -2.408 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.033 -2.186 -1.047 1.00 0.00 C ATOM 0 H VAL A 115 122.153 -4.324 1.085 1.00 0.00 H new ATOM 0 HA VAL A 115 119.304 -3.891 0.222 1.00 0.00 H new ATOM 0 HB VAL A 115 121.845 -4.143 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.338 -3.527 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.808 -5.039 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.953 -3.517 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.446 -1.747 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.060 -1.741 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.707 -1.994 -0.212 1.00 0.00 H new ATOM 1886 N ILE A 116 119.004 -6.323 -0.368 1.00 0.00 N ATOM 1887 CA ILE A 116 118.836 -7.795 -0.527 1.00 0.00 C ATOM 1888 C ILE A 116 118.656 -8.137 -2.008 1.00 0.00 C ATOM 1889 O ILE A 116 119.448 -8.851 -2.588 1.00 0.00 O ATOM 1890 CB ILE A 116 117.608 -8.254 0.258 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.554 -7.510 1.595 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.699 -9.759 0.517 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.415 -8.071 2.448 1.00 0.00 C ATOM 0 H ILE A 116 118.150 -5.774 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 116 119.722 -8.303 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 116 116.707 -8.039 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.503 -7.617 2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.403 -6.444 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.823 -10.085 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.740 -10.290 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.599 -9.975 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.378 -7.541 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.469 -7.941 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.586 -9.132 2.631 1.00 0.00 H new ATOM 1905 N GLU A 117 117.620 -7.638 -2.624 1.00 0.00 N ATOM 1906 CA GLU A 117 117.399 -7.945 -4.066 1.00 0.00 C ATOM 1907 C GLU A 117 116.629 -6.800 -4.729 1.00 0.00 C ATOM 1908 O GLU A 117 116.177 -5.881 -4.076 1.00 0.00 O ATOM 1909 CB GLU A 117 116.594 -9.240 -4.193 1.00 0.00 C ATOM 1910 CG GLU A 117 117.418 -10.280 -4.953 1.00 0.00 C ATOM 1911 CD GLU A 117 118.094 -11.224 -3.958 1.00 0.00 C ATOM 1912 OE1 GLU A 117 117.467 -11.556 -2.966 1.00 0.00 O ATOM 1913 OE2 GLU A 117 119.229 -11.599 -4.204 1.00 0.00 O ATOM 0 H GLU A 117 116.920 -7.034 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 117 118.363 -8.063 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.335 -9.618 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.658 -9.049 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 117 116.776 -10.846 -5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 117 118.169 -9.785 -5.568 1.00 0.00 H new ATOM 1920 N GLU A 118 116.478 -6.853 -6.024 1.00 0.00 N ATOM 1921 CA GLU A 118 115.738 -5.774 -6.738 1.00 0.00 C ATOM 1922 C GLU A 118 115.607 -6.141 -8.217 1.00 0.00 C ATOM 1923 O GLU A 118 116.438 -6.835 -8.770 1.00 0.00 O ATOM 1924 CB GLU A 118 116.501 -4.454 -6.606 1.00 0.00 C ATOM 1925 CG GLU A 118 118.004 -4.716 -6.725 1.00 0.00 C ATOM 1926 CD GLU A 118 118.699 -4.299 -5.427 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.214 -3.380 -4.788 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.705 -4.904 -5.096 1.00 0.00 O ATOM 0 H GLU A 118 116.836 -7.599 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 118 114.746 -5.663 -6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.180 -3.758 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.278 -3.988 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.185 -5.772 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.416 -4.158 -7.566 1.00 0.00 H new ATOM 1935 N SER A 119 114.569 -5.684 -8.863 1.00 0.00 N ATOM 1936 CA SER A 119 114.384 -6.009 -10.305 1.00 0.00 C ATOM 1937 C SER A 119 115.297 -5.121 -11.155 1.00 0.00 C ATOM 1938 O SER A 119 115.690 -5.483 -12.245 1.00 0.00 O ATOM 1939 CB SER A 119 112.927 -5.764 -10.698 1.00 0.00 C ATOM 1940 OG SER A 119 112.452 -4.600 -10.034 1.00 0.00 O ATOM 0 H SER A 119 113.841 -5.099 -8.454 1.00 0.00 H new ATOM 0 HA SER A 119 114.638 -7.055 -10.475 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.845 -5.640 -11.778 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.316 -6.625 -10.429 1.00 0.00 H new ATOM 0 HG SER A 119 111.518 -4.438 -10.285 1.00 0.00 H new ATOM 1946 N LEU A 120 115.637 -3.959 -10.665 1.00 0.00 N ATOM 1947 CA LEU A 120 116.523 -3.051 -11.449 1.00 0.00 C ATOM 1948 C LEU A 120 117.984 -3.456 -11.245 1.00 0.00 C ATOM 1949 O LEU A 120 118.342 -3.983 -10.210 1.00 0.00 O ATOM 1950 CB LEU A 120 116.326 -1.608 -10.970 1.00 0.00 C ATOM 1951 CG LEU A 120 115.128 -0.960 -11.687 1.00 0.00 C ATOM 1952 CD1 LEU A 120 115.596 -0.343 -13.007 1.00 0.00 C ATOM 1953 CD2 LEU A 120 114.043 -2.006 -11.972 1.00 0.00 C ATOM 0 H LEU A 120 115.340 -3.600 -9.758 1.00 0.00 H new ATOM 0 HA LEU A 120 116.270 -3.125 -12.507 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.162 -1.596 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.229 -1.028 -11.162 1.00 0.00 H new ATOM 0 HG LEU A 120 114.711 -0.186 -11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 120 114.748 0.116 -13.515 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.352 0.416 -12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 120 116.021 -1.121 -13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 120 113.203 -1.531 -12.479 1.00 0.00 H new ATOM 0 HD22 LEU A 120 114.453 -2.792 -12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 120 113.701 -2.440 -11.033 1.00 0.00 H new ATOM 1965 N PRO A 121 118.787 -3.195 -12.245 1.00 0.00 N ATOM 1966 CA PRO A 121 120.223 -3.518 -12.217 1.00 0.00 C ATOM 1967 C PRO A 121 120.990 -2.478 -11.393 1.00 0.00 C ATOM 1968 O PRO A 121 122.184 -2.582 -11.204 1.00 0.00 O ATOM 1969 CB PRO A 121 120.632 -3.457 -13.691 1.00 0.00 C ATOM 1970 CG PRO A 121 119.582 -2.567 -14.400 1.00 0.00 C ATOM 1971 CD PRO A 121 118.334 -2.556 -13.498 1.00 0.00 C ATOM 0 HA PRO A 121 120.437 -4.484 -11.760 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.633 -3.038 -13.799 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.655 -4.455 -14.129 1.00 0.00 H new ATOM 0 HG2 PRO A 121 119.965 -1.557 -14.545 1.00 0.00 H new ATOM 0 HG3 PRO A 121 119.343 -2.962 -15.388 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.979 -1.541 -13.322 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.510 -3.107 -13.951 1.00 0.00 H new ATOM 1979 N GLY A 122 120.311 -1.476 -10.903 1.00 0.00 N ATOM 1980 CA GLY A 122 121.005 -0.434 -10.093 1.00 0.00 C ATOM 1981 C GLY A 122 120.000 0.261 -9.173 1.00 0.00 C ATOM 1982 O GLY A 122 120.028 1.464 -9.006 1.00 0.00 O ATOM 0 H GLY A 122 119.309 -1.334 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.799 -0.889 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.476 0.297 -10.750 1.00 0.00 H new ATOM 1986 N GLY A 123 119.110 -0.484 -8.576 1.00 0.00 N ATOM 1987 CA GLY A 123 118.105 0.139 -7.667 1.00 0.00 C ATOM 1988 C GLY A 123 117.089 0.930 -8.493 1.00 0.00 C ATOM 1989 O GLY A 123 116.927 0.703 -9.676 1.00 0.00 O ATOM 0 H GLY A 123 119.035 -1.496 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.597 -0.631 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.602 0.798 -6.955 1.00 0.00 H new ATOM 1993 N LEU A 124 116.403 1.859 -7.883 1.00 0.00 N ATOM 1994 CA LEU A 124 115.402 2.660 -8.642 1.00 0.00 C ATOM 1995 C LEU A 124 116.013 3.097 -9.976 1.00 0.00 C ATOM 1996 O LEU A 124 115.949 2.388 -10.961 1.00 0.00 O ATOM 1997 CB LEU A 124 115.011 3.900 -7.835 1.00 0.00 C ATOM 1998 CG LEU A 124 113.658 3.682 -7.151 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.269 4.955 -6.400 1.00 0.00 C ATOM 2000 CD2 LEU A 124 112.581 3.375 -8.198 1.00 0.00 C ATOM 0 H LEU A 124 116.493 2.097 -6.895 1.00 0.00 H new ATOM 0 HA LEU A 124 114.515 2.053 -8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.775 4.111 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.959 4.768 -8.492 1.00 0.00 H new ATOM 0 HG LEU A 124 113.738 2.843 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.306 4.809 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.027 5.181 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.195 5.784 -7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 124 111.623 3.222 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.500 4.211 -8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 124 112.853 2.473 -8.747 1.00 0.00 H new