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 -77:sc= 0.695 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -10.5! C(o=-38!,f=-41!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -27.8! C(o=-38!,f=-47!) USER MOD Set 2.1: A 60 ASN : amide:sc= -9.79! C(o=-22!,f=-22!) USER MOD Set 2.2: A 65 ASN : amide:sc= -12.3! C(o=-22!,f=-22!) USER MOD Set 3.1: A 57 SER OG : rot -93:sc= -1.75! USER MOD Set 3.2: A 59 HIS : no HE2:sc= -9.48! C(o=-11!,f=-19!) USER MOD Set 4.1: A 36 THR OG1 : rot 180:sc= -2.83! USER MOD Set 4.2: A 91 SER OG : rot 150:sc= -0.567 USER MOD Set 5.1: A 34 TYR OH : rot -68:sc= 0.00691 USER MOD Set 5.2: A 64 HIS : no HD1:sc= -14.1! C(o=-14!,f=-12!) USER MOD Set 6.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= -0.0126 (180deg=-0.144) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 94:sc= 0.00678 USER MOD Single : A 20 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-4.4!) USER MOD Single : A 25 ASN : amide:sc= -0.537 K(o=-0.54,f=-1.7) USER MOD Single : A 27 THR OG1 : rot 36:sc= 0.0309 USER MOD Single : A 30 CYS SG : rot -10:sc= -3.56! USER MOD Single : A 35 THR OG1 : rot -160:sc= -2.43! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -119:sc= -2.04! (180deg=-4.88!) USER MOD Single : A 44 TYR OH : rot 164:sc= -1.02 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 166:sc= -0.106 (180deg=-0.296) USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= -0.248 (180deg=-1.17) 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 180:sc= -0.322 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 62 TYR OH : rot 37:sc= 1.17 USER MOD Single : A 63 ASN : amide:sc= -0.0057 X(o=-0.0057,f=-0.0057) USER MOD Single : A 78 SER OG : rot -170:sc= -0.629 USER MOD Single : A 81 ASN : amide:sc= -7.92! C(o=-7.9!,f=-6!) USER MOD Single : A 82 ASN : amide:sc= -0.0271 K(o=-0.027,f=-2!) USER MOD Single : A 83 TYR OH : rot -110:sc= -2.19! USER MOD Single : A 85 GLN : amide:sc= -0.564 K(o=-0.56,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -49:sc= -0.287 USER MOD Single : A 89 THR OG1 : rot 58:sc= 1.07 USER MOD Single : A 95 CYS SG : rot -52:sc= -1.83 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) 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 -173:sc= -4.33! (180deg=-4.75!) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.23 USER MOD Single : A 106 SER OG : rot 127:sc= 0.0292 USER MOD Single : A 109 THR OG1 : rot -36:sc= 0.648 USER MOD Single : A 114 SER OG : rot 180:sc= 0.06 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 108.021 -6.221 17.643 1.00 0.00 N ATOM 75 CA ASP A 6 107.373 -5.755 16.385 1.00 0.00 C ATOM 76 C ASP A 6 107.642 -4.257 16.201 1.00 0.00 C ATOM 77 O ASP A 6 107.675 -3.514 17.161 1.00 0.00 O ATOM 78 CB ASP A 6 105.865 -5.997 16.470 1.00 0.00 C ATOM 79 CG ASP A 6 105.534 -7.365 15.871 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.453 -8.144 15.679 1.00 0.00 O ATOM 81 OD2 ASP A 6 104.366 -7.612 15.616 1.00 0.00 O ATOM 0 HA ASP A 6 107.781 -6.305 15.537 1.00 0.00 H new ATOM 0 HB2 ASP A 6 105.537 -5.954 17.509 1.00 0.00 H new ATOM 0 HB3 ASP A 6 105.329 -5.214 15.934 1.00 0.00 H new ATOM 86 N PRO A 7 107.825 -3.858 14.967 1.00 0.00 N ATOM 87 CA PRO A 7 108.091 -2.452 14.620 1.00 0.00 C ATOM 88 C PRO A 7 106.794 -1.642 14.655 1.00 0.00 C ATOM 89 O PRO A 7 105.808 -2.002 14.043 1.00 0.00 O ATOM 90 CB PRO A 7 108.650 -2.533 13.196 1.00 0.00 C ATOM 91 CG PRO A 7 108.151 -3.873 12.608 1.00 0.00 C ATOM 92 CD PRO A 7 107.783 -4.770 13.804 1.00 0.00 C ATOM 0 HA PRO A 7 108.775 -1.959 15.311 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.305 -1.692 12.595 1.00 0.00 H new ATOM 0 HB3 PRO A 7 109.739 -2.493 13.203 1.00 0.00 H new ATOM 0 HG2 PRO A 7 107.287 -3.715 11.962 1.00 0.00 H new ATOM 0 HG3 PRO A 7 108.924 -4.340 11.997 1.00 0.00 H new ATOM 0 HD2 PRO A 7 106.795 -5.213 13.681 1.00 0.00 H new ATOM 0 HD3 PRO A 7 108.489 -5.593 13.917 1.00 0.00 H new ATOM 100 N LYS A 8 106.785 -0.552 15.372 1.00 0.00 N ATOM 101 CA LYS A 8 105.552 0.277 15.450 1.00 0.00 C ATOM 102 C LYS A 8 105.431 1.134 14.191 1.00 0.00 C ATOM 103 O LYS A 8 104.414 1.752 13.945 1.00 0.00 O ATOM 104 CB LYS A 8 105.623 1.184 16.680 1.00 0.00 C ATOM 105 CG LYS A 8 106.946 1.953 16.674 1.00 0.00 C ATOM 106 CD LYS A 8 107.833 1.455 17.816 1.00 0.00 C ATOM 107 CE LYS A 8 107.700 2.397 19.014 1.00 0.00 C ATOM 108 NZ LYS A 8 106.349 2.239 19.625 1.00 0.00 N ATOM 0 H LYS A 8 107.579 -0.201 15.907 1.00 0.00 H new ATOM 0 HA LYS A 8 104.682 -0.375 15.529 1.00 0.00 H new ATOM 0 HB2 LYS A 8 104.785 1.881 16.679 1.00 0.00 H new ATOM 0 HB3 LYS A 8 105.541 0.588 17.589 1.00 0.00 H new ATOM 0 HG2 LYS A 8 107.454 1.816 15.719 1.00 0.00 H new ATOM 0 HG3 LYS A 8 106.758 3.021 16.785 1.00 0.00 H new ATOM 0 HD2 LYS A 8 107.543 0.444 18.101 1.00 0.00 H new ATOM 0 HD3 LYS A 8 108.872 1.409 17.490 1.00 0.00 H new ATOM 0 HE2 LYS A 8 108.472 2.176 19.751 1.00 0.00 H new ATOM 0 HE3 LYS A 8 107.849 3.429 18.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 106.311 2.762 20.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 105.628 2.614 18.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 106.164 1.231 19.803 1.00 0.00 H new ATOM 122 N ASP A 9 106.459 1.177 13.387 1.00 0.00 N ATOM 123 CA ASP A 9 106.390 1.996 12.143 1.00 0.00 C ATOM 124 C ASP A 9 107.787 2.140 11.538 1.00 0.00 C ATOM 125 O ASP A 9 108.743 1.556 12.007 1.00 0.00 O ATOM 126 CB ASP A 9 105.836 3.383 12.477 1.00 0.00 C ATOM 127 CG ASP A 9 104.563 3.634 11.666 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.655 3.665 10.450 1.00 0.00 O ATOM 129 OD2 ASP A 9 103.518 3.793 12.276 1.00 0.00 O ATOM 0 H ASP A 9 107.339 0.683 13.537 1.00 0.00 H new ATOM 0 HA ASP A 9 105.736 1.502 11.424 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.620 3.453 13.543 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.580 4.147 12.252 1.00 0.00 H new ATOM 134 N PHE A 10 107.909 2.917 10.495 1.00 0.00 N ATOM 135 CA PHE A 10 109.240 3.105 9.855 1.00 0.00 C ATOM 136 C PHE A 10 110.208 3.725 10.866 1.00 0.00 C ATOM 137 O PHE A 10 109.790 4.391 11.793 1.00 0.00 O ATOM 138 CB PHE A 10 109.099 4.043 8.654 1.00 0.00 C ATOM 139 CG PHE A 10 108.828 3.234 7.409 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.633 2.517 7.287 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.772 3.203 6.376 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.381 1.768 6.133 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.520 2.453 5.221 1.00 0.00 C ATOM 144 CZ PHE A 10 108.325 1.736 5.101 1.00 0.00 C ATOM 0 H PHE A 10 107.142 3.430 10.059 1.00 0.00 H new ATOM 0 HA PHE A 10 109.623 2.140 9.524 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.287 4.749 8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.010 4.629 8.528 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.905 2.542 8.084 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.694 3.757 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.458 1.215 6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 10 110.248 2.428 4.423 1.00 0.00 H new ATOM 0 HZ PHE A 10 108.131 1.157 4.210 1.00 0.00 H new ATOM 154 N PRO A 11 111.477 3.489 10.654 1.00 0.00 N ATOM 155 CA PRO A 11 112.538 4.018 11.527 1.00 0.00 C ATOM 156 C PRO A 11 112.803 5.492 11.208 1.00 0.00 C ATOM 157 O PRO A 11 112.918 5.877 10.061 1.00 0.00 O ATOM 158 CB PRO A 11 113.752 3.154 11.180 1.00 0.00 C ATOM 159 CG PRO A 11 113.492 2.585 9.765 1.00 0.00 C ATOM 160 CD PRO A 11 111.973 2.676 9.525 1.00 0.00 C ATOM 0 HA PRO A 11 112.285 3.978 12.586 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.668 3.745 11.199 1.00 0.00 H new ATOM 0 HB3 PRO A 11 113.877 2.350 11.905 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.038 3.154 9.012 1.00 0.00 H new ATOM 0 HG3 PRO A 11 113.834 1.553 9.694 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.748 3.145 8.567 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.512 1.688 9.512 1.00 0.00 H new ATOM 168 N SER A 12 112.894 6.319 12.212 1.00 0.00 N ATOM 169 CA SER A 12 113.144 7.767 11.968 1.00 0.00 C ATOM 170 C SER A 12 114.253 7.935 10.926 1.00 0.00 C ATOM 171 O SER A 12 114.318 8.930 10.232 1.00 0.00 O ATOM 172 CB SER A 12 113.568 8.438 13.275 1.00 0.00 C ATOM 173 OG SER A 12 114.514 9.461 12.993 1.00 0.00 O ATOM 0 H SER A 12 112.806 6.054 13.193 1.00 0.00 H new ATOM 0 HA SER A 12 112.230 8.231 11.598 1.00 0.00 H new ATOM 0 HB2 SER A 12 112.699 8.860 13.779 1.00 0.00 H new ATOM 0 HB3 SER A 12 114.002 7.701 13.951 1.00 0.00 H new ATOM 0 HG SER A 12 114.786 9.894 13.829 1.00 0.00 H new ATOM 179 N GLU A 13 115.125 6.973 10.811 1.00 0.00 N ATOM 180 CA GLU A 13 116.229 7.083 9.815 1.00 0.00 C ATOM 181 C GLU A 13 115.646 7.342 8.422 1.00 0.00 C ATOM 182 O GLU A 13 116.025 8.278 7.747 1.00 0.00 O ATOM 183 CB GLU A 13 117.032 5.780 9.796 1.00 0.00 C ATOM 184 CG GLU A 13 118.378 6.020 9.109 1.00 0.00 C ATOM 185 CD GLU A 13 119.419 5.050 9.671 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.244 3.856 9.494 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.374 5.518 10.268 1.00 0.00 O ATOM 0 H GLU A 13 115.122 6.115 11.363 1.00 0.00 H new ATOM 0 HA GLU A 13 116.882 7.911 10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.190 5.423 10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 13 116.476 5.005 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 13 118.279 5.880 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.701 7.049 9.268 1.00 0.00 H new ATOM 194 N LEU A 14 114.731 6.520 7.985 1.00 0.00 N ATOM 195 CA LEU A 14 114.132 6.721 6.634 1.00 0.00 C ATOM 196 C LEU A 14 112.994 7.740 6.720 1.00 0.00 C ATOM 197 O LEU A 14 112.466 8.178 5.717 1.00 0.00 O ATOM 198 CB LEU A 14 113.581 5.391 6.117 1.00 0.00 C ATOM 199 CG LEU A 14 114.731 4.536 5.582 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.532 3.083 6.017 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.751 4.611 4.053 1.00 0.00 C ATOM 0 H LEU A 14 114.372 5.719 8.504 1.00 0.00 H new ATOM 0 HA LEU A 14 114.899 7.090 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.064 4.863 6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.850 5.570 5.329 1.00 0.00 H new ATOM 0 HG LEU A 14 115.676 4.908 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.351 2.474 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 14 114.515 3.028 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.588 2.710 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 14 115.570 4.002 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 14 113.806 4.238 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 14 114.891 5.646 3.741 1.00 0.00 H new ATOM 213 N LEU A 15 112.611 8.122 7.907 1.00 0.00 N ATOM 214 CA LEU A 15 111.507 9.113 8.048 1.00 0.00 C ATOM 215 C LEU A 15 112.027 10.513 7.715 1.00 0.00 C ATOM 216 O LEU A 15 111.301 11.485 7.777 1.00 0.00 O ATOM 217 CB LEU A 15 110.982 9.090 9.486 1.00 0.00 C ATOM 218 CG LEU A 15 110.425 7.701 9.802 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.005 7.637 11.272 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.211 7.425 8.914 1.00 0.00 C ATOM 0 H LEU A 15 113.014 7.792 8.784 1.00 0.00 H new ATOM 0 HA LEU A 15 110.700 8.856 7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.784 9.339 10.181 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.204 9.843 9.613 1.00 0.00 H new ATOM 0 HG LEU A 15 111.194 6.952 9.613 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.609 6.646 11.494 1.00 0.00 H new ATOM 0 HD12 LEU A 15 110.870 7.833 11.906 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.237 8.387 11.464 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.813 6.435 9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.444 8.176 9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.509 7.467 7.866 1.00 0.00 H new ATOM 232 N SER A 16 113.278 10.625 7.358 1.00 0.00 N ATOM 233 CA SER A 16 113.838 11.962 7.019 1.00 0.00 C ATOM 234 C SER A 16 113.159 12.492 5.754 1.00 0.00 C ATOM 235 O SER A 16 113.289 13.649 5.406 1.00 0.00 O ATOM 236 CB SER A 16 115.343 11.839 6.776 1.00 0.00 C ATOM 237 OG SER A 16 115.997 11.573 8.010 1.00 0.00 O ATOM 0 H SER A 16 113.935 9.848 7.287 1.00 0.00 H new ATOM 0 HA SER A 16 113.659 12.651 7.845 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.544 11.038 6.064 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.729 12.759 6.337 1.00 0.00 H new ATOM 0 HG SER A 16 116.102 10.605 8.123 1.00 0.00 H new ATOM 243 N PHE A 17 112.432 11.655 5.064 1.00 0.00 N ATOM 244 CA PHE A 17 111.743 12.114 3.824 1.00 0.00 C ATOM 245 C PHE A 17 110.585 11.170 3.497 1.00 0.00 C ATOM 246 O PHE A 17 110.507 10.619 2.417 1.00 0.00 O ATOM 247 CB PHE A 17 112.730 12.128 2.654 1.00 0.00 C ATOM 248 CG PHE A 17 113.720 10.994 2.791 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.344 9.791 3.402 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.018 11.149 2.297 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.270 8.748 3.519 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.944 10.108 2.412 1.00 0.00 C ATOM 253 CZ PHE A 17 115.570 8.906 3.024 1.00 0.00 C ATOM 0 H PHE A 17 112.286 10.675 5.305 1.00 0.00 H new ATOM 0 HA PHE A 17 111.358 13.121 3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.189 12.036 1.712 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.259 13.081 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.341 9.668 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.307 12.076 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.981 7.821 3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.946 10.231 2.029 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.284 8.101 3.114 1.00 0.00 H new ATOM 263 N LEU A 18 109.683 10.980 4.419 1.00 0.00 N ATOM 264 CA LEU A 18 108.532 10.074 4.154 1.00 0.00 C ATOM 265 C LEU A 18 107.234 10.883 4.170 1.00 0.00 C ATOM 266 O LEU A 18 107.248 12.097 4.199 1.00 0.00 O ATOM 267 CB LEU A 18 108.472 8.993 5.234 1.00 0.00 C ATOM 268 CG LEU A 18 108.166 7.641 4.587 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.444 7.063 3.978 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.630 6.678 5.649 1.00 0.00 C ATOM 0 H LEU A 18 109.693 11.412 5.343 1.00 0.00 H new ATOM 0 HA LEU A 18 108.657 9.604 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.420 8.946 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.704 9.239 5.967 1.00 0.00 H new ATOM 0 HG LEU A 18 107.419 7.775 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.224 6.100 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.829 7.747 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 18 110.191 6.929 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.412 5.714 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 18 108.378 6.546 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 18 106.718 7.087 6.084 1.00 0.00 H new ATOM 282 N SER A 19 106.111 10.219 4.152 1.00 0.00 N ATOM 283 CA SER A 19 104.814 10.951 4.167 1.00 0.00 C ATOM 284 C SER A 19 104.288 11.026 5.601 1.00 0.00 C ATOM 285 O SER A 19 103.725 12.019 6.015 1.00 0.00 O ATOM 286 CB SER A 19 103.802 10.213 3.289 1.00 0.00 C ATOM 287 OG SER A 19 103.034 11.162 2.561 1.00 0.00 O ATOM 0 H SER A 19 106.036 9.202 4.128 1.00 0.00 H new ATOM 0 HA SER A 19 104.961 11.960 3.781 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.319 9.543 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.149 9.596 3.906 1.00 0.00 H new ATOM 0 HG SER A 19 102.385 10.693 1.996 1.00 0.00 H new ATOM 293 N HIS A 20 104.467 9.981 6.363 1.00 0.00 N ATOM 294 CA HIS A 20 103.976 9.995 7.770 1.00 0.00 C ATOM 295 C HIS A 20 102.446 9.984 7.775 1.00 0.00 C ATOM 296 O HIS A 20 101.815 10.402 8.724 1.00 0.00 O ATOM 297 CB HIS A 20 104.480 11.257 8.472 1.00 0.00 C ATOM 298 CG HIS A 20 105.930 11.472 8.135 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.771 10.425 7.788 1.00 0.00 N ATOM 300 CD2 HIS A 20 106.703 12.604 8.088 1.00 0.00 C ATOM 301 CE1 HIS A 20 107.988 10.945 7.549 1.00 0.00 C ATOM 302 NE2 HIS A 20 108.003 12.270 7.718 1.00 0.00 N ATOM 0 H HIS A 20 104.931 9.120 6.073 1.00 0.00 H new ATOM 0 HA HIS A 20 104.347 9.115 8.295 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.891 12.120 8.160 1.00 0.00 H new ATOM 0 HB3 HIS A 20 104.357 11.160 9.551 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.356 13.603 8.305 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.849 10.362 7.256 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.796 12.901 7.601 1.00 0.00 H new ATOM 310 N ALA A 21 101.845 9.506 6.719 1.00 0.00 N ATOM 311 CA ALA A 21 100.357 9.467 6.661 1.00 0.00 C ATOM 312 C ALA A 21 99.914 8.493 5.568 1.00 0.00 C ATOM 313 O ALA A 21 100.469 8.465 4.487 1.00 0.00 O ATOM 314 CB ALA A 21 99.822 10.866 6.345 1.00 0.00 C ATOM 0 H ALA A 21 102.321 9.141 5.894 1.00 0.00 H new ATOM 0 HA ALA A 21 99.965 9.136 7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.733 10.838 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.137 11.560 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.214 11.197 5.383 1.00 0.00 H new ATOM 320 N VAL A 22 98.920 7.693 5.839 1.00 0.00 N ATOM 321 CA VAL A 22 98.444 6.722 4.814 1.00 0.00 C ATOM 322 C VAL A 22 97.261 7.323 4.051 1.00 0.00 C ATOM 323 O VAL A 22 97.040 7.026 2.894 1.00 0.00 O ATOM 324 CB VAL A 22 98.000 5.429 5.501 1.00 0.00 C ATOM 325 CG1 VAL A 22 97.909 4.305 4.467 1.00 0.00 C ATOM 326 CG2 VAL A 22 99.020 5.049 6.577 1.00 0.00 C ATOM 0 H VAL A 22 98.417 7.670 6.726 1.00 0.00 H new ATOM 0 HA VAL A 22 99.254 6.505 4.118 1.00 0.00 H new ATOM 0 HB VAL A 22 97.023 5.579 5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 22 97.593 3.384 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 22 97.184 4.575 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 22 98.886 4.154 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.705 4.128 7.068 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.996 4.899 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 22 99.086 5.849 7.315 1.00 0.00 H new ATOM 336 N PHE A 23 96.498 8.166 4.692 1.00 0.00 N ATOM 337 CA PHE A 23 95.331 8.783 4.003 1.00 0.00 C ATOM 338 C PHE A 23 95.656 10.239 3.657 1.00 0.00 C ATOM 339 O PHE A 23 95.033 11.158 4.150 1.00 0.00 O ATOM 340 CB PHE A 23 94.112 8.739 4.927 1.00 0.00 C ATOM 341 CG PHE A 23 93.545 7.338 4.945 1.00 0.00 C ATOM 342 CD1 PHE A 23 94.280 6.293 5.519 1.00 0.00 C ATOM 343 CD2 PHE A 23 92.286 7.085 4.387 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.756 4.996 5.536 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.763 5.787 4.404 1.00 0.00 C ATOM 346 CZ PHE A 23 92.497 4.742 4.978 1.00 0.00 C ATOM 0 H PHE A 23 96.633 8.453 5.661 1.00 0.00 H new ATOM 0 HA PHE A 23 95.114 8.231 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 23 94.395 9.041 5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 23 93.356 9.445 4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 23 95.251 6.489 5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.719 7.891 3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 23 94.323 4.191 5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 23 90.792 5.591 3.974 1.00 0.00 H new ATOM 0 HZ PHE A 23 92.092 3.741 4.990 1.00 0.00 H new ATOM 356 N SER A 24 96.625 10.454 2.811 1.00 0.00 N ATOM 357 CA SER A 24 96.987 11.849 2.432 1.00 0.00 C ATOM 358 C SER A 24 95.965 12.387 1.429 1.00 0.00 C ATOM 359 O SER A 24 94.887 11.847 1.278 1.00 0.00 O ATOM 360 CB SER A 24 98.379 11.859 1.797 1.00 0.00 C ATOM 361 OG SER A 24 99.228 10.971 2.512 1.00 0.00 O ATOM 0 H SER A 24 97.182 9.725 2.366 1.00 0.00 H new ATOM 0 HA SER A 24 96.988 12.479 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.316 11.558 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 24 98.792 12.868 1.814 1.00 0.00 H new ATOM 0 HG SER A 24 100.120 10.974 2.107 1.00 0.00 H new ATOM 367 N ASN A 25 96.294 13.445 0.741 1.00 0.00 N ATOM 368 CA ASN A 25 95.341 14.015 -0.252 1.00 0.00 C ATOM 369 C ASN A 25 95.952 13.928 -1.652 1.00 0.00 C ATOM 370 O ASN A 25 95.255 13.783 -2.636 1.00 0.00 O ATOM 371 CB ASN A 25 95.057 15.479 0.091 1.00 0.00 C ATOM 372 CG ASN A 25 96.377 16.242 0.212 1.00 0.00 C ATOM 373 OD1 ASN A 25 96.986 16.586 -0.782 1.00 0.00 O ATOM 374 ND2 ASN A 25 96.848 16.524 1.396 1.00 0.00 N ATOM 0 H ASN A 25 97.182 13.940 0.824 1.00 0.00 H new ATOM 0 HA ASN A 25 94.409 13.450 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 25 94.434 15.930 -0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.501 15.543 1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 25 97.727 17.033 1.487 1.00 0.00 H new ATOM 0 HD22 ASN A 25 96.337 16.235 2.230 1.00 0.00 H new ATOM 381 N ARG A 26 97.251 14.012 -1.748 1.00 0.00 N ATOM 382 CA ARG A 26 97.907 13.932 -3.084 1.00 0.00 C ATOM 383 C ARG A 26 98.097 12.463 -3.470 1.00 0.00 C ATOM 384 O ARG A 26 98.117 11.588 -2.627 1.00 0.00 O ATOM 385 CB ARG A 26 99.271 14.624 -3.025 1.00 0.00 C ATOM 386 CG ARG A 26 99.284 15.813 -3.988 1.00 0.00 C ATOM 387 CD ARG A 26 100.539 15.752 -4.860 1.00 0.00 C ATOM 388 NE ARG A 26 101.750 15.840 -3.995 1.00 0.00 N ATOM 389 CZ ARG A 26 102.321 16.994 -3.788 1.00 0.00 C ATOM 390 NH1 ARG A 26 101.821 17.824 -2.913 1.00 0.00 N ATOM 391 NH2 ARG A 26 103.394 17.320 -4.457 1.00 0.00 N ATOM 0 H ARG A 26 97.886 14.133 -0.959 1.00 0.00 H new ATOM 0 HA ARG A 26 97.281 14.426 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 26 99.475 14.963 -2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 26 100.059 13.920 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.392 15.796 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 26 99.263 16.748 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 26 100.553 14.823 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.534 16.569 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 26 102.132 14.998 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 26 100.983 17.570 -2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 26 102.269 18.726 -2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 26 103.785 16.672 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 26 103.841 18.222 -4.296 1.00 0.00 H new ATOM 405 N THR A 27 98.235 12.185 -4.737 1.00 0.00 N ATOM 406 CA THR A 27 98.423 10.772 -5.172 1.00 0.00 C ATOM 407 C THR A 27 99.913 10.422 -5.144 1.00 0.00 C ATOM 408 O THR A 27 100.751 11.197 -5.562 1.00 0.00 O ATOM 409 CB THR A 27 97.886 10.601 -6.596 1.00 0.00 C ATOM 410 OG1 THR A 27 98.327 11.685 -7.400 1.00 0.00 O ATOM 411 CG2 THR A 27 96.356 10.575 -6.566 1.00 0.00 C ATOM 0 H THR A 27 98.226 12.874 -5.489 1.00 0.00 H new ATOM 0 HA THR A 27 97.882 10.109 -4.497 1.00 0.00 H new ATOM 0 HB THR A 27 98.255 9.665 -7.014 1.00 0.00 H new ATOM 0 HG1 THR A 27 99.235 11.941 -7.135 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.974 10.453 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 27 96.018 9.743 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.984 11.511 -6.148 1.00 0.00 H new ATOM 419 N LEU A 28 100.249 9.261 -4.650 1.00 0.00 N ATOM 420 CA LEU A 28 101.684 8.864 -4.594 1.00 0.00 C ATOM 421 C LEU A 28 101.888 7.555 -5.357 1.00 0.00 C ATOM 422 O LEU A 28 101.115 6.625 -5.232 1.00 0.00 O ATOM 423 CB LEU A 28 102.101 8.664 -3.135 1.00 0.00 C ATOM 424 CG LEU A 28 102.864 9.894 -2.645 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.973 11.131 -2.766 1.00 0.00 C ATOM 426 CD2 LEU A 28 103.263 9.694 -1.180 1.00 0.00 C ATOM 0 H LEU A 28 99.593 8.572 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 28 102.290 9.648 -5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 101.220 8.499 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.726 7.776 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 28 103.759 10.032 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.518 12.008 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 28 101.687 11.273 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 28 101.077 10.995 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.808 10.570 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.367 9.556 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.899 8.813 -1.093 1.00 0.00 H new ATOM 438 N ALA A 29 102.927 7.472 -6.142 1.00 0.00 N ATOM 439 CA ALA A 29 103.188 6.221 -6.907 1.00 0.00 C ATOM 440 C ALA A 29 104.337 5.456 -6.236 1.00 0.00 C ATOM 441 O ALA A 29 104.592 4.306 -6.539 1.00 0.00 O ATOM 442 CB ALA A 29 103.580 6.572 -8.343 1.00 0.00 C ATOM 0 H ALA A 29 103.607 8.218 -6.287 1.00 0.00 H new ATOM 0 HA ALA A 29 102.290 5.603 -6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.771 5.656 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.769 7.124 -8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 29 104.480 7.186 -8.335 1.00 0.00 H new ATOM 448 N CYS A 30 105.027 6.090 -5.321 1.00 0.00 N ATOM 449 CA CYS A 30 106.154 5.409 -4.617 1.00 0.00 C ATOM 450 C CYS A 30 105.649 4.898 -3.266 1.00 0.00 C ATOM 451 O CYS A 30 105.145 5.651 -2.455 1.00 0.00 O ATOM 452 CB CYS A 30 107.298 6.399 -4.400 1.00 0.00 C ATOM 453 SG CYS A 30 108.691 5.551 -3.616 1.00 0.00 S ATOM 0 H CYS A 30 104.857 7.053 -5.031 1.00 0.00 H new ATOM 0 HA CYS A 30 106.518 4.575 -5.217 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.609 6.826 -5.353 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.963 7.226 -3.774 1.00 0.00 H new ATOM 0 HG CYS A 30 108.317 4.367 -3.231 1.00 0.00 H new ATOM 459 N PHE A 31 105.745 3.618 -3.035 1.00 0.00 N ATOM 460 CA PHE A 31 105.230 3.054 -1.759 1.00 0.00 C ATOM 461 C PHE A 31 106.358 2.354 -1.003 1.00 0.00 C ATOM 462 O PHE A 31 107.048 1.509 -1.539 1.00 0.00 O ATOM 463 CB PHE A 31 104.138 2.025 -2.070 1.00 0.00 C ATOM 464 CG PHE A 31 102.979 2.675 -2.795 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.197 3.404 -3.969 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.680 2.533 -2.306 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.134 3.984 -4.644 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.613 3.124 -2.991 1.00 0.00 C ATOM 469 CZ PHE A 31 100.844 3.851 -4.160 1.00 0.00 C ATOM 0 H PHE A 31 106.158 2.940 -3.675 1.00 0.00 H new ATOM 0 HA PHE A 31 104.829 3.863 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.551 1.223 -2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.785 1.571 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 31 104.201 3.516 -4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.499 1.969 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.313 4.542 -5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.607 3.017 -2.614 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.019 4.308 -4.685 1.00 0.00 H new ATOM 479 N ALA A 32 106.536 2.682 0.244 1.00 0.00 N ATOM 480 CA ALA A 32 107.602 2.018 1.040 1.00 0.00 C ATOM 481 C ALA A 32 106.950 1.002 1.975 1.00 0.00 C ATOM 482 O ALA A 32 106.443 1.346 3.024 1.00 0.00 O ATOM 483 CB ALA A 32 108.361 3.060 1.861 1.00 0.00 C ATOM 0 H ALA A 32 105.989 3.381 0.747 1.00 0.00 H new ATOM 0 HA ALA A 32 108.304 1.516 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.141 2.568 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.814 3.791 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.670 3.565 2.536 1.00 0.00 H new ATOM 489 N ILE A 33 106.949 -0.247 1.601 1.00 0.00 N ATOM 490 CA ILE A 33 106.321 -1.277 2.471 1.00 0.00 C ATOM 491 C ILE A 33 107.330 -1.726 3.526 1.00 0.00 C ATOM 492 O ILE A 33 108.479 -1.992 3.233 1.00 0.00 O ATOM 493 CB ILE A 33 105.891 -2.477 1.618 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.599 -2.134 0.873 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.646 -3.696 2.514 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.458 -3.042 -0.351 1.00 0.00 C ATOM 0 H ILE A 33 107.355 -0.597 0.733 1.00 0.00 H new ATOM 0 HA ILE A 33 105.444 -0.857 2.963 1.00 0.00 H new ATOM 0 HB ILE A 33 106.681 -2.708 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.741 -2.261 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.612 -1.089 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.341 -4.543 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.563 -3.946 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.859 -3.467 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.538 -2.797 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.310 -2.893 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.426 -4.083 -0.030 1.00 0.00 H new ATOM 508 N TYR A 34 106.907 -1.817 4.753 1.00 0.00 N ATOM 509 CA TYR A 34 107.830 -2.256 5.834 1.00 0.00 C ATOM 510 C TYR A 34 107.219 -3.477 6.516 1.00 0.00 C ATOM 511 O TYR A 34 106.341 -3.360 7.348 1.00 0.00 O ATOM 512 CB TYR A 34 108.005 -1.121 6.843 1.00 0.00 C ATOM 513 CG TYR A 34 108.901 -1.571 7.969 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.907 -2.514 7.727 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.729 -1.043 9.252 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.739 -2.929 8.769 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.561 -1.458 10.296 1.00 0.00 C ATOM 518 CZ TYR A 34 110.569 -2.402 10.055 1.00 0.00 C ATOM 519 OH TYR A 34 111.390 -2.812 11.085 1.00 0.00 O ATOM 0 H TYR A 34 105.956 -1.605 5.056 1.00 0.00 H new ATOM 0 HA TYR A 34 108.807 -2.512 5.424 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.434 -0.248 6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.034 -0.820 7.237 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.040 -2.920 6.735 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.953 -0.314 9.437 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.514 -3.657 8.583 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.427 -1.052 11.288 1.00 0.00 H new ATOM 0 HH TYR A 34 111.199 -3.748 11.303 1.00 0.00 H new ATOM 529 N THR A 35 107.657 -4.651 6.152 1.00 0.00 N ATOM 530 CA THR A 35 107.072 -5.877 6.765 1.00 0.00 C ATOM 531 C THR A 35 108.160 -6.930 6.975 1.00 0.00 C ATOM 532 O THR A 35 109.205 -6.889 6.357 1.00 0.00 O ATOM 533 CB THR A 35 106.005 -6.447 5.825 1.00 0.00 C ATOM 534 OG1 THR A 35 106.637 -7.005 4.681 1.00 0.00 O ATOM 535 CG2 THR A 35 105.053 -5.338 5.383 1.00 0.00 C ATOM 0 H THR A 35 108.390 -4.814 5.461 1.00 0.00 H new ATOM 0 HA THR A 35 106.630 -5.619 7.727 1.00 0.00 H new ATOM 0 HB THR A 35 105.440 -7.217 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 35 105.987 -7.079 3.952 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.298 -5.752 4.715 1.00 0.00 H new ATOM 0 HG22 THR A 35 104.567 -4.906 6.258 1.00 0.00 H new ATOM 0 HG23 THR A 35 105.614 -4.563 4.860 1.00 0.00 H new ATOM 543 N THR A 36 107.913 -7.883 7.831 1.00 0.00 N ATOM 544 CA THR A 36 108.925 -8.947 8.065 1.00 0.00 C ATOM 545 C THR A 36 109.444 -9.428 6.708 1.00 0.00 C ATOM 546 O THR A 36 108.809 -9.235 5.691 1.00 0.00 O ATOM 547 CB THR A 36 108.276 -10.115 8.816 1.00 0.00 C ATOM 548 OG1 THR A 36 107.153 -10.580 8.082 1.00 0.00 O ATOM 549 CG2 THR A 36 107.825 -9.652 10.204 1.00 0.00 C ATOM 0 H THR A 36 107.056 -7.970 8.377 1.00 0.00 H new ATOM 0 HA THR A 36 109.750 -8.558 8.662 1.00 0.00 H new ATOM 0 HB THR A 36 109.001 -10.922 8.926 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.737 -11.328 8.559 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.364 -10.486 10.734 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.688 -9.297 10.767 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.101 -8.844 10.101 1.00 0.00 H new ATOM 557 N LYS A 37 110.591 -10.045 6.677 1.00 0.00 N ATOM 558 CA LYS A 37 111.140 -10.524 5.381 1.00 0.00 C ATOM 559 C LYS A 37 110.133 -11.462 4.710 1.00 0.00 C ATOM 560 O LYS A 37 109.862 -11.357 3.529 1.00 0.00 O ATOM 561 CB LYS A 37 112.444 -11.275 5.643 1.00 0.00 C ATOM 562 CG LYS A 37 112.192 -12.403 6.646 1.00 0.00 C ATOM 563 CD LYS A 37 113.503 -12.769 7.344 1.00 0.00 C ATOM 564 CE LYS A 37 113.199 -13.555 8.621 1.00 0.00 C ATOM 565 NZ LYS A 37 114.476 -13.918 9.299 1.00 0.00 N ATOM 0 H LYS A 37 111.171 -10.238 7.493 1.00 0.00 H new ATOM 0 HA LYS A 37 111.328 -9.675 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.834 -11.684 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.198 -10.591 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.451 -12.091 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.785 -13.275 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.128 -13.364 6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.064 -11.866 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 37 112.578 -12.958 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 37 112.634 -14.456 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.269 -14.452 10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.053 -14.503 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.998 -13.052 9.542 1.00 0.00 H new ATOM 579 N GLU A 38 109.587 -12.385 5.451 1.00 0.00 N ATOM 580 CA GLU A 38 108.611 -13.341 4.864 1.00 0.00 C ATOM 581 C GLU A 38 107.421 -12.590 4.256 1.00 0.00 C ATOM 582 O GLU A 38 106.739 -13.098 3.388 1.00 0.00 O ATOM 583 CB GLU A 38 108.104 -14.280 5.961 1.00 0.00 C ATOM 584 CG GLU A 38 107.665 -15.605 5.335 1.00 0.00 C ATOM 585 CD GLU A 38 106.581 -16.245 6.205 1.00 0.00 C ATOM 586 OE1 GLU A 38 106.903 -16.665 7.304 1.00 0.00 O ATOM 587 OE2 GLU A 38 105.448 -16.304 5.756 1.00 0.00 O ATOM 0 H GLU A 38 109.777 -12.518 6.444 1.00 0.00 H new ATOM 0 HA GLU A 38 109.107 -13.911 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.889 -14.455 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.269 -13.821 6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.285 -15.435 4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.518 -16.277 5.245 1.00 0.00 H new ATOM 594 N LYS A 39 107.152 -11.395 4.707 1.00 0.00 N ATOM 595 CA LYS A 39 105.995 -10.638 4.154 1.00 0.00 C ATOM 596 C LYS A 39 106.382 -9.987 2.823 1.00 0.00 C ATOM 597 O LYS A 39 105.830 -10.298 1.787 1.00 0.00 O ATOM 598 CB LYS A 39 105.580 -9.557 5.153 1.00 0.00 C ATOM 599 CG LYS A 39 105.051 -10.218 6.429 1.00 0.00 C ATOM 600 CD LYS A 39 103.522 -10.218 6.408 1.00 0.00 C ATOM 601 CE LYS A 39 103.006 -8.781 6.489 1.00 0.00 C ATOM 602 NZ LYS A 39 101.517 -8.792 6.503 1.00 0.00 N ATOM 0 H LYS A 39 107.682 -10.912 5.432 1.00 0.00 H new ATOM 0 HA LYS A 39 105.163 -11.322 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.431 -8.918 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 39 104.812 -8.918 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 39 105.424 -11.239 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 39 105.413 -9.682 7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.161 -10.693 5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.137 -10.801 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.386 -8.296 7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.369 -8.204 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 101.158 -8.275 5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 101.177 -9.774 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 101.175 -8.335 7.372 1.00 0.00 H new ATOM 616 N ALA A 40 107.320 -9.081 2.843 1.00 0.00 N ATOM 617 CA ALA A 40 107.734 -8.407 1.579 1.00 0.00 C ATOM 618 C ALA A 40 108.028 -9.450 0.498 1.00 0.00 C ATOM 619 O ALA A 40 107.818 -9.213 -0.674 1.00 0.00 O ATOM 620 CB ALA A 40 108.998 -7.582 1.832 1.00 0.00 C ATOM 0 H ALA A 40 107.818 -8.778 3.680 1.00 0.00 H new ATOM 0 HA ALA A 40 106.925 -7.758 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.302 -7.089 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.795 -6.830 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.799 -8.238 2.173 1.00 0.00 H new ATOM 626 N ALA A 41 108.525 -10.595 0.875 1.00 0.00 N ATOM 627 CA ALA A 41 108.844 -11.639 -0.141 1.00 0.00 C ATOM 628 C ALA A 41 107.585 -11.998 -0.935 1.00 0.00 C ATOM 629 O ALA A 41 107.628 -12.177 -2.136 1.00 0.00 O ATOM 630 CB ALA A 41 109.376 -12.891 0.560 1.00 0.00 C ATOM 0 H ALA A 41 108.724 -10.854 1.841 1.00 0.00 H new ATOM 0 HA ALA A 41 109.601 -11.252 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.609 -13.653 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.279 -12.640 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.620 -13.273 1.246 1.00 0.00 H new ATOM 636 N LEU A 42 106.469 -12.111 -0.274 1.00 0.00 N ATOM 637 CA LEU A 42 105.211 -12.467 -0.992 1.00 0.00 C ATOM 638 C LEU A 42 104.632 -11.217 -1.669 1.00 0.00 C ATOM 639 O LEU A 42 103.975 -11.303 -2.688 1.00 0.00 O ATOM 640 CB LEU A 42 104.204 -13.062 0.004 1.00 0.00 C ATOM 641 CG LEU A 42 103.403 -11.949 0.682 1.00 0.00 C ATOM 642 CD1 LEU A 42 102.093 -11.741 -0.077 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.096 -12.345 2.128 1.00 0.00 C ATOM 0 H LEU A 42 106.371 -11.973 0.732 1.00 0.00 H new ATOM 0 HA LEU A 42 105.422 -13.210 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.528 -13.741 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 42 104.731 -13.650 0.756 1.00 0.00 H new ATOM 0 HG LEU A 42 103.983 -11.026 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 42 101.517 -10.949 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.310 -11.460 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 42 101.516 -12.666 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.525 -11.551 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.514 -13.267 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 42 104.030 -12.500 2.669 1.00 0.00 H new ATOM 655 N LEU A 43 104.875 -10.058 -1.118 1.00 0.00 N ATOM 656 CA LEU A 43 104.341 -8.813 -1.743 1.00 0.00 C ATOM 657 C LEU A 43 105.266 -8.383 -2.882 1.00 0.00 C ATOM 658 O LEU A 43 104.940 -7.515 -3.666 1.00 0.00 O ATOM 659 CB LEU A 43 104.271 -7.695 -0.700 1.00 0.00 C ATOM 660 CG LEU A 43 103.341 -8.110 0.441 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.036 -6.893 1.317 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.034 -8.664 -0.136 1.00 0.00 C ATOM 0 H LEU A 43 105.418 -9.919 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 43 103.341 -9.006 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.267 -7.485 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.908 -6.777 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 43 103.826 -8.880 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.373 -7.187 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 43 103.965 -6.500 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.552 -6.124 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.373 -8.959 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.548 -7.896 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.250 -9.531 -0.760 1.00 0.00 H new ATOM 674 N TYR A 44 106.417 -8.988 -2.980 1.00 0.00 N ATOM 675 CA TYR A 44 107.359 -8.616 -4.071 1.00 0.00 C ATOM 676 C TYR A 44 106.870 -9.241 -5.379 1.00 0.00 C ATOM 677 O TYR A 44 106.569 -8.553 -6.335 1.00 0.00 O ATOM 678 CB TYR A 44 108.758 -9.142 -3.734 1.00 0.00 C ATOM 679 CG TYR A 44 109.775 -8.590 -4.710 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.709 -8.937 -6.065 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.798 -7.749 -4.258 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.657 -8.442 -6.963 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.752 -7.257 -5.156 1.00 0.00 C ATOM 684 CZ TYR A 44 111.682 -7.603 -6.510 1.00 0.00 C ATOM 685 OH TYR A 44 112.619 -7.118 -7.398 1.00 0.00 O ATOM 0 H TYR A 44 106.745 -9.722 -2.353 1.00 0.00 H new ATOM 0 HA TYR A 44 107.402 -7.532 -4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.027 -8.856 -2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.763 -10.231 -3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 44 108.923 -9.589 -6.416 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.851 -7.479 -3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.599 -8.707 -8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.542 -6.610 -4.804 1.00 0.00 H new ATOM 0 HH TYR A 44 113.096 -6.365 -6.991 1.00 0.00 H new ATOM 695 N LYS A 45 106.782 -10.543 -5.422 1.00 0.00 N ATOM 696 CA LYS A 45 106.308 -11.219 -6.662 1.00 0.00 C ATOM 697 C LYS A 45 104.848 -10.841 -6.923 1.00 0.00 C ATOM 698 O LYS A 45 104.366 -10.930 -8.034 1.00 0.00 O ATOM 699 CB LYS A 45 106.413 -12.735 -6.489 1.00 0.00 C ATOM 700 CG LYS A 45 107.885 -13.150 -6.472 1.00 0.00 C ATOM 701 CD LYS A 45 108.155 -14.024 -5.246 1.00 0.00 C ATOM 702 CE LYS A 45 108.308 -15.483 -5.683 1.00 0.00 C ATOM 703 NZ LYS A 45 108.789 -16.298 -4.532 1.00 0.00 N ATOM 0 H LYS A 45 107.018 -11.168 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 45 106.924 -10.903 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 45 105.928 -13.039 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.892 -13.241 -7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 45 108.130 -13.697 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 45 108.523 -12.266 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.060 -13.688 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 45 107.336 -13.931 -4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 45 107.354 -15.868 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.012 -15.554 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 108.893 -17.289 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.708 -15.935 -4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.101 -16.240 -3.754 1.00 0.00 H new ATOM 717 N LYS A 46 104.138 -10.422 -5.909 1.00 0.00 N ATOM 718 CA LYS A 46 102.712 -10.043 -6.114 1.00 0.00 C ATOM 719 C LYS A 46 102.641 -8.674 -6.793 1.00 0.00 C ATOM 720 O LYS A 46 102.319 -8.567 -7.960 1.00 0.00 O ATOM 721 CB LYS A 46 102.000 -9.982 -4.761 1.00 0.00 C ATOM 722 CG LYS A 46 101.571 -11.392 -4.349 1.00 0.00 C ATOM 723 CD LYS A 46 100.056 -11.535 -4.513 1.00 0.00 C ATOM 724 CE LYS A 46 99.476 -12.247 -3.290 1.00 0.00 C ATOM 725 NZ LYS A 46 98.742 -13.467 -3.728 1.00 0.00 N ATOM 0 H LYS A 46 104.482 -10.327 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 46 102.225 -10.786 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.663 -9.557 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.130 -9.329 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 46 102.085 -12.133 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 46 101.855 -11.582 -3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 46 99.597 -10.553 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 46 99.829 -12.099 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.276 -12.518 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 46 98.804 -11.579 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 98.347 -13.952 -2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 97.970 -13.196 -4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 99.396 -14.106 -4.224 1.00 0.00 H new ATOM 739 N ILE A 47 102.941 -7.625 -6.076 1.00 0.00 N ATOM 740 CA ILE A 47 102.891 -6.268 -6.690 1.00 0.00 C ATOM 741 C ILE A 47 103.568 -6.302 -8.063 1.00 0.00 C ATOM 742 O ILE A 47 103.278 -5.501 -8.927 1.00 0.00 O ATOM 743 CB ILE A 47 103.624 -5.269 -5.799 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.954 -5.234 -4.404 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.605 -3.892 -6.479 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.283 -3.881 -4.125 1.00 0.00 C ATOM 0 H ILE A 47 103.218 -7.649 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 47 101.850 -5.965 -6.798 1.00 0.00 H new ATOM 0 HB ILE A 47 104.663 -5.566 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.211 -6.028 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.702 -5.433 -3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.126 -3.169 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.102 -3.957 -7.447 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.573 -3.571 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.825 -3.899 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 47 103.031 -3.089 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.516 -3.693 -4.877 1.00 0.00 H new ATOM 758 N MET A 48 104.478 -7.218 -8.263 1.00 0.00 N ATOM 759 CA MET A 48 105.192 -7.302 -9.574 1.00 0.00 C ATOM 760 C MET A 48 104.223 -7.032 -10.732 1.00 0.00 C ATOM 761 O MET A 48 104.426 -6.129 -11.520 1.00 0.00 O ATOM 762 CB MET A 48 105.789 -8.701 -9.735 1.00 0.00 C ATOM 763 CG MET A 48 107.308 -8.633 -9.558 1.00 0.00 C ATOM 764 SD MET A 48 108.117 -9.293 -11.036 1.00 0.00 S ATOM 765 CE MET A 48 109.306 -10.360 -10.185 1.00 0.00 C ATOM 0 H MET A 48 104.760 -7.915 -7.573 1.00 0.00 H new ATOM 0 HA MET A 48 105.982 -6.552 -9.592 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.357 -9.379 -8.999 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.545 -9.101 -10.719 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.620 -7.602 -9.389 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.609 -9.204 -8.680 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.748 -11.054 -10.900 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.091 -9.748 -9.740 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.796 -10.921 -9.402 1.00 0.00 H new ATOM 775 N GLU A 49 103.182 -7.810 -10.852 1.00 0.00 N ATOM 776 CA GLU A 49 102.219 -7.595 -11.973 1.00 0.00 C ATOM 777 C GLU A 49 100.997 -6.816 -11.478 1.00 0.00 C ATOM 778 O GLU A 49 100.238 -6.276 -12.258 1.00 0.00 O ATOM 779 CB GLU A 49 101.767 -8.952 -12.519 1.00 0.00 C ATOM 780 CG GLU A 49 101.079 -8.755 -13.871 1.00 0.00 C ATOM 781 CD GLU A 49 102.128 -8.762 -14.983 1.00 0.00 C ATOM 782 OE1 GLU A 49 102.818 -7.766 -15.126 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.225 -9.763 -15.673 1.00 0.00 O ATOM 0 H GLU A 49 102.956 -8.583 -10.226 1.00 0.00 H new ATOM 0 HA GLU A 49 102.711 -7.023 -12.760 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.625 -9.616 -12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.083 -9.429 -11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 49 100.350 -9.548 -14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 49 100.532 -7.812 -13.879 1.00 0.00 H new ATOM 790 N LYS A 50 100.797 -6.754 -10.190 1.00 0.00 N ATOM 791 CA LYS A 50 99.619 -6.014 -9.652 1.00 0.00 C ATOM 792 C LYS A 50 99.710 -4.537 -10.040 1.00 0.00 C ATOM 793 O LYS A 50 98.714 -3.895 -10.313 1.00 0.00 O ATOM 794 CB LYS A 50 99.603 -6.128 -8.128 1.00 0.00 C ATOM 795 CG LYS A 50 98.258 -5.644 -7.590 1.00 0.00 C ATOM 796 CD LYS A 50 98.216 -5.836 -6.075 1.00 0.00 C ATOM 797 CE LYS A 50 98.300 -7.327 -5.744 1.00 0.00 C ATOM 798 NZ LYS A 50 97.391 -8.087 -6.646 1.00 0.00 N ATOM 0 H LYS A 50 101.398 -7.183 -9.487 1.00 0.00 H new ATOM 0 HA LYS A 50 98.707 -6.443 -10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.774 -7.162 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.411 -5.535 -7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.112 -4.593 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.446 -6.198 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 50 99.044 -5.302 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 50 97.296 -5.415 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.325 -7.679 -5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.022 -7.496 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 97.182 -9.015 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 96.505 -7.557 -6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 97.850 -8.220 -7.570 1.00 0.00 H new ATOM 812 N TYR A 51 100.892 -3.987 -10.053 1.00 0.00 N ATOM 813 CA TYR A 51 101.039 -2.548 -10.408 1.00 0.00 C ATOM 814 C TYR A 51 102.218 -2.362 -11.360 1.00 0.00 C ATOM 815 O TYR A 51 102.703 -1.265 -11.537 1.00 0.00 O ATOM 816 CB TYR A 51 101.305 -1.739 -9.136 1.00 0.00 C ATOM 817 CG TYR A 51 100.077 -1.744 -8.261 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.103 -0.751 -8.420 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.909 -2.743 -7.294 1.00 0.00 C ATOM 820 CE1 TYR A 51 97.963 -0.754 -7.614 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.768 -2.746 -6.485 1.00 0.00 C ATOM 822 CZ TYR A 51 97.793 -1.752 -6.645 1.00 0.00 C ATOM 823 OH TYR A 51 96.666 -1.756 -5.848 1.00 0.00 O ATOM 0 H TYR A 51 101.762 -4.471 -9.833 1.00 0.00 H new ATOM 0 HA TYR A 51 100.123 -2.207 -10.890 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.150 -2.163 -8.594 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.574 -0.715 -9.395 1.00 0.00 H new ATOM 0 HD1 TYR A 51 99.234 0.018 -9.167 1.00 0.00 H new ATOM 0 HD2 TYR A 51 100.660 -3.510 -7.173 1.00 0.00 H new ATOM 0 HE1 TYR A 51 97.212 0.013 -7.737 1.00 0.00 H new ATOM 0 HE2 TYR A 51 98.638 -3.514 -5.737 1.00 0.00 H new ATOM 0 HH TYR A 51 96.705 -2.516 -5.230 1.00 0.00 H new ATOM 833 N SER A 52 102.699 -3.416 -11.964 1.00 0.00 N ATOM 834 CA SER A 52 103.864 -3.261 -12.885 1.00 0.00 C ATOM 835 C SER A 52 104.900 -2.370 -12.196 1.00 0.00 C ATOM 836 O SER A 52 105.376 -1.401 -12.752 1.00 0.00 O ATOM 837 CB SER A 52 103.406 -2.607 -14.189 1.00 0.00 C ATOM 838 OG SER A 52 103.432 -3.573 -15.232 1.00 0.00 O ATOM 0 H SER A 52 102.342 -4.366 -11.862 1.00 0.00 H new ATOM 0 HA SER A 52 104.297 -4.235 -13.115 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.399 -2.206 -14.074 1.00 0.00 H new ATOM 0 HB3 SER A 52 104.057 -1.769 -14.437 1.00 0.00 H new ATOM 0 HG SER A 52 103.137 -3.158 -16.070 1.00 0.00 H new ATOM 844 N VAL A 53 105.212 -2.692 -10.968 1.00 0.00 N ATOM 845 CA VAL A 53 106.184 -1.889 -10.166 1.00 0.00 C ATOM 846 C VAL A 53 107.243 -1.224 -11.047 1.00 0.00 C ATOM 847 O VAL A 53 107.876 -1.856 -11.869 1.00 0.00 O ATOM 848 CB VAL A 53 106.887 -2.810 -9.169 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.888 -3.280 -8.114 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.453 -4.022 -9.911 1.00 0.00 C ATOM 0 H VAL A 53 104.825 -3.497 -10.476 1.00 0.00 H new ATOM 0 HA VAL A 53 105.626 -1.105 -9.654 1.00 0.00 H new ATOM 0 HB VAL A 53 107.698 -2.268 -8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.391 -3.937 -7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.483 -2.417 -7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 53 105.076 -3.823 -8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.955 -4.681 -9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.641 -4.563 -10.397 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.167 -3.687 -10.663 1.00 0.00 H new ATOM 860 N THR A 54 107.466 0.048 -10.843 1.00 0.00 N ATOM 861 CA THR A 54 108.514 0.762 -11.622 1.00 0.00 C ATOM 862 C THR A 54 109.876 0.455 -10.989 1.00 0.00 C ATOM 863 O THR A 54 110.911 0.863 -11.477 1.00 0.00 O ATOM 864 CB THR A 54 108.250 2.269 -11.580 1.00 0.00 C ATOM 865 OG1 THR A 54 106.862 2.500 -11.375 1.00 0.00 O ATOM 866 CG2 THR A 54 108.680 2.901 -12.905 1.00 0.00 C ATOM 0 H THR A 54 106.964 0.623 -10.167 1.00 0.00 H new ATOM 0 HA THR A 54 108.501 0.434 -12.661 1.00 0.00 H new ATOM 0 HB THR A 54 108.819 2.714 -10.764 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.692 3.465 -11.346 1.00 0.00 H new ATOM 0 HG21 THR A 54 108.492 3.974 -12.874 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.744 2.724 -13.064 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.112 2.456 -13.722 1.00 0.00 H new ATOM 874 N PHE A 55 109.870 -0.272 -9.901 1.00 0.00 N ATOM 875 CA PHE A 55 111.135 -0.630 -9.209 1.00 0.00 C ATOM 876 C PHE A 55 110.779 -1.295 -7.879 1.00 0.00 C ATOM 877 O PHE A 55 110.416 -0.636 -6.925 1.00 0.00 O ATOM 878 CB PHE A 55 111.958 0.629 -8.945 1.00 0.00 C ATOM 879 CG PHE A 55 113.093 0.285 -8.017 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.079 -0.618 -8.428 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.158 0.861 -6.744 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.130 -0.946 -7.569 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.210 0.536 -5.883 1.00 0.00 C ATOM 884 CZ PHE A 55 115.197 -0.368 -6.296 1.00 0.00 C ATOM 0 H PHE A 55 109.026 -0.636 -9.459 1.00 0.00 H new ATOM 0 HA PHE A 55 111.721 -1.308 -9.829 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.345 1.029 -9.882 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.331 1.403 -8.503 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.027 -1.062 -9.411 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.395 1.557 -6.426 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.890 -1.645 -7.886 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.262 0.981 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 55 116.010 -0.619 -5.632 1.00 0.00 H new ATOM 894 N ILE A 56 110.858 -2.595 -7.807 1.00 0.00 N ATOM 895 CA ILE A 56 110.498 -3.289 -6.540 1.00 0.00 C ATOM 896 C ILE A 56 111.739 -3.937 -5.924 1.00 0.00 C ATOM 897 O ILE A 56 112.141 -5.015 -6.309 1.00 0.00 O ATOM 898 CB ILE A 56 109.450 -4.362 -6.848 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.134 -5.176 -5.588 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.982 -5.298 -7.936 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.965 -6.118 -5.885 1.00 0.00 C ATOM 0 H ILE A 56 111.155 -3.205 -8.569 1.00 0.00 H new ATOM 0 HA ILE A 56 110.094 -2.568 -5.829 1.00 0.00 H new ATOM 0 HB ILE A 56 108.538 -3.874 -7.193 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.009 -5.748 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 56 108.881 -4.510 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.236 -6.062 -8.155 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.191 -4.725 -8.839 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.899 -5.775 -7.589 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.733 -6.702 -4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.091 -5.534 -6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.237 -6.790 -6.699 1.00 0.00 H new ATOM 913 N SER A 57 112.353 -3.285 -4.973 1.00 0.00 N ATOM 914 CA SER A 57 113.565 -3.861 -4.337 1.00 0.00 C ATOM 915 C SER A 57 113.245 -4.325 -2.916 1.00 0.00 C ATOM 916 O SER A 57 112.376 -3.794 -2.253 1.00 0.00 O ATOM 917 CB SER A 57 114.651 -2.793 -4.263 1.00 0.00 C ATOM 918 OG SER A 57 115.856 -3.378 -3.785 1.00 0.00 O ATOM 0 H SER A 57 112.064 -2.376 -4.611 1.00 0.00 H new ATOM 0 HA SER A 57 113.904 -4.709 -4.931 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.812 -2.354 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.338 -1.986 -3.601 1.00 0.00 H new ATOM 0 HG SER A 57 115.903 -3.280 -2.811 1.00 0.00 H new ATOM 924 N ARG A 58 113.973 -5.292 -2.440 1.00 0.00 N ATOM 925 CA ARG A 58 113.763 -5.787 -1.054 1.00 0.00 C ATOM 926 C ARG A 58 115.041 -5.487 -0.270 1.00 0.00 C ATOM 927 O ARG A 58 116.096 -6.014 -0.574 1.00 0.00 O ATOM 928 CB ARG A 58 113.516 -7.298 -1.074 1.00 0.00 C ATOM 929 CG ARG A 58 112.871 -7.728 0.244 1.00 0.00 C ATOM 930 CD ARG A 58 112.303 -9.140 0.095 1.00 0.00 C ATOM 931 NE ARG A 58 113.220 -9.958 -0.747 1.00 0.00 N ATOM 932 CZ ARG A 58 112.773 -10.535 -1.830 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.190 -11.698 -1.755 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.910 -9.946 -2.987 1.00 0.00 N ATOM 0 H ARG A 58 114.713 -5.766 -2.958 1.00 0.00 H new ATOM 0 HA ARG A 58 112.900 -5.303 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.868 -7.560 -1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.457 -7.829 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 58 113.608 -7.703 1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.078 -7.032 0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 58 112.184 -9.601 1.076 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.313 -9.099 -0.360 1.00 0.00 H new ATOM 0 HE ARG A 58 114.198 -10.068 -0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 58 112.083 -12.157 -0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 58 111.841 -12.149 -2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 58 113.366 -9.035 -3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 58 112.561 -10.396 -3.833 1.00 0.00 H new ATOM 948 N HIS A 59 114.975 -4.622 0.706 1.00 0.00 N ATOM 949 CA HIS A 59 116.212 -4.277 1.466 1.00 0.00 C ATOM 950 C HIS A 59 116.117 -4.767 2.913 1.00 0.00 C ATOM 951 O HIS A 59 115.058 -5.108 3.401 1.00 0.00 O ATOM 952 CB HIS A 59 116.394 -2.758 1.459 1.00 0.00 C ATOM 953 CG HIS A 59 116.341 -2.254 0.044 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.486 -1.998 -0.694 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.287 -1.953 -0.784 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.098 -1.564 -1.907 1.00 0.00 C ATOM 957 NE2 HIS A 59 115.767 -1.517 -2.014 1.00 0.00 N ATOM 0 H HIS A 59 114.127 -4.143 1.008 1.00 0.00 H new ATOM 0 HA HIS A 59 117.063 -4.764 0.990 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.613 -2.285 2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.348 -2.493 1.915 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.448 -2.117 -0.375 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.244 -2.042 -0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 59 117.779 -1.287 -2.698 1.00 0.00 H new ATOM 965 N ASN A 60 117.228 -4.793 3.603 1.00 0.00 N ATOM 966 CA ASN A 60 117.228 -5.244 5.023 1.00 0.00 C ATOM 967 C ASN A 60 117.421 -4.029 5.931 1.00 0.00 C ATOM 968 O ASN A 60 118.279 -3.199 5.696 1.00 0.00 O ATOM 969 CB ASN A 60 118.383 -6.222 5.253 1.00 0.00 C ATOM 970 CG ASN A 60 118.008 -7.602 4.714 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.722 -8.167 3.910 1.00 0.00 O ATOM 972 ND2 ASN A 60 116.914 -8.175 5.130 1.00 0.00 N ATOM 0 H ASN A 60 118.141 -4.519 3.239 1.00 0.00 H new ATOM 0 HA ASN A 60 116.282 -5.736 5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.283 -5.860 4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.611 -6.287 6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 60 116.657 -9.098 4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 60 116.315 -7.700 5.805 1.00 0.00 H new ATOM 979 N SER A 61 116.635 -3.913 6.966 1.00 0.00 N ATOM 980 CA SER A 61 116.785 -2.748 7.881 1.00 0.00 C ATOM 981 C SER A 61 117.393 -3.211 9.206 1.00 0.00 C ATOM 982 O SER A 61 118.595 -3.336 9.334 1.00 0.00 O ATOM 983 CB SER A 61 115.419 -2.111 8.130 1.00 0.00 C ATOM 984 OG SER A 61 114.402 -3.084 7.929 1.00 0.00 O ATOM 0 H SER A 61 115.898 -4.572 7.217 1.00 0.00 H new ATOM 0 HA SER A 61 117.444 -2.011 7.423 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.368 -1.719 9.146 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.270 -1.268 7.455 1.00 0.00 H new ATOM 0 HG SER A 61 113.525 -2.678 8.090 1.00 0.00 H new ATOM 990 N TYR A 62 116.580 -3.462 10.198 1.00 0.00 N ATOM 991 CA TYR A 62 117.129 -3.909 11.509 1.00 0.00 C ATOM 992 C TYR A 62 116.675 -5.341 11.796 1.00 0.00 C ATOM 993 O TYR A 62 117.479 -6.224 12.018 1.00 0.00 O ATOM 994 CB TYR A 62 116.621 -2.986 12.619 1.00 0.00 C ATOM 995 CG TYR A 62 116.730 -1.547 12.175 1.00 0.00 C ATOM 996 CD1 TYR A 62 117.708 -1.170 11.246 1.00 0.00 C ATOM 997 CD2 TYR A 62 115.851 -0.588 12.692 1.00 0.00 C ATOM 998 CE1 TYR A 62 117.805 0.163 10.836 1.00 0.00 C ATOM 999 CE2 TYR A 62 115.949 0.744 12.281 1.00 0.00 C ATOM 1000 CZ TYR A 62 116.925 1.121 11.352 1.00 0.00 C ATOM 1001 OH TYR A 62 117.022 2.437 10.949 1.00 0.00 O ATOM 0 H TYR A 62 115.564 -3.377 10.157 1.00 0.00 H new ATOM 0 HA TYR A 62 118.218 -3.873 11.473 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.585 -3.225 12.858 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.202 -3.141 13.528 1.00 0.00 H new ATOM 0 HD1 TYR A 62 118.387 -1.909 10.847 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.097 -0.878 13.409 1.00 0.00 H new ATOM 0 HE1 TYR A 62 118.560 0.454 10.120 1.00 0.00 H new ATOM 0 HE2 TYR A 62 115.271 1.483 12.681 1.00 0.00 H new ATOM 0 HH TYR A 62 117.258 2.471 9.998 1.00 0.00 H new ATOM 1011 N ASN A 63 115.392 -5.579 11.801 1.00 0.00 N ATOM 1012 CA ASN A 63 114.893 -6.954 12.082 1.00 0.00 C ATOM 1013 C ASN A 63 113.895 -7.373 11.002 1.00 0.00 C ATOM 1014 O ASN A 63 113.297 -8.428 11.077 1.00 0.00 O ATOM 1015 CB ASN A 63 114.204 -6.975 13.448 1.00 0.00 C ATOM 1016 CG ASN A 63 115.227 -6.658 14.540 1.00 0.00 C ATOM 1017 OD1 ASN A 63 116.056 -7.482 14.871 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.203 -5.488 15.121 1.00 0.00 N ATOM 0 H ASN A 63 114.669 -4.882 11.623 1.00 0.00 H new ATOM 0 HA ASN A 63 115.733 -7.649 12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.395 -6.245 13.470 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.757 -7.953 13.627 1.00 0.00 H new ATOM 0 HD21 ASN A 63 115.880 -5.267 15.852 1.00 0.00 H new ATOM 0 HD22 ASN A 63 114.507 -4.795 14.844 1.00 0.00 H new ATOM 1025 N HIS A 64 113.704 -6.560 10.000 1.00 0.00 N ATOM 1026 CA HIS A 64 112.738 -6.928 8.927 1.00 0.00 C ATOM 1027 C HIS A 64 113.227 -6.394 7.579 1.00 0.00 C ATOM 1028 O HIS A 64 114.402 -6.146 7.394 1.00 0.00 O ATOM 1029 CB HIS A 64 111.367 -6.351 9.271 1.00 0.00 C ATOM 1030 CG HIS A 64 110.919 -6.938 10.579 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.619 -6.154 11.681 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.737 -8.237 10.983 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.279 -6.981 12.685 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.335 -8.262 12.313 1.00 0.00 N ATOM 0 H HIS A 64 114.172 -5.662 9.878 1.00 0.00 H new ATOM 0 HA HIS A 64 112.660 -8.013 8.855 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.420 -5.265 9.341 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.649 -6.585 8.485 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.884 -9.108 10.361 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.995 -6.649 13.673 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.127 -9.082 12.882 1.00 0.00 H new ATOM 1042 N ASN A 65 112.348 -6.238 6.623 1.00 0.00 N ATOM 1043 CA ASN A 65 112.798 -5.750 5.288 1.00 0.00 C ATOM 1044 C ASN A 65 111.874 -4.648 4.760 1.00 0.00 C ATOM 1045 O ASN A 65 110.721 -4.539 5.140 1.00 0.00 O ATOM 1046 CB ASN A 65 112.790 -6.919 4.302 1.00 0.00 C ATOM 1047 CG ASN A 65 113.920 -7.888 4.650 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.842 -8.063 3.881 1.00 0.00 O ATOM 1049 ND2 ASN A 65 113.885 -8.537 5.782 1.00 0.00 N ATOM 0 H ASN A 65 111.349 -6.425 6.708 1.00 0.00 H new ATOM 0 HA ASN A 65 113.802 -5.339 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.830 -7.434 4.340 1.00 0.00 H new ATOM 0 HB3 ASN A 65 112.913 -6.550 3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.632 -9.190 6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.111 -8.391 6.430 1.00 0.00 H new ATOM 1056 N ILE A 66 112.387 -3.839 3.868 1.00 0.00 N ATOM 1057 CA ILE A 66 111.576 -2.740 3.276 1.00 0.00 C ATOM 1058 C ILE A 66 111.270 -3.083 1.816 1.00 0.00 C ATOM 1059 O ILE A 66 112.118 -2.958 0.952 1.00 0.00 O ATOM 1060 CB ILE A 66 112.375 -1.423 3.348 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.106 -0.746 4.695 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.963 -0.468 2.211 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.058 -1.309 5.753 1.00 0.00 C ATOM 0 H ILE A 66 113.345 -3.897 3.523 1.00 0.00 H new ATOM 0 HA ILE A 66 110.643 -2.623 3.827 1.00 0.00 H new ATOM 0 HB ILE A 66 113.435 -1.652 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.243 0.332 4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.072 -0.912 4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.540 0.454 2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 66 112.156 -0.943 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.901 -0.238 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.865 -0.826 6.711 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.900 -2.383 5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.089 -1.120 5.453 1.00 0.00 H new ATOM 1075 N LEU A 67 110.067 -3.501 1.529 1.00 0.00 N ATOM 1076 CA LEU A 67 109.723 -3.822 0.119 1.00 0.00 C ATOM 1077 C LEU A 67 109.431 -2.515 -0.605 1.00 0.00 C ATOM 1078 O LEU A 67 108.311 -2.046 -0.656 1.00 0.00 O ATOM 1079 CB LEU A 67 108.495 -4.727 0.065 1.00 0.00 C ATOM 1080 CG LEU A 67 108.156 -5.029 -1.395 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.158 -6.040 -1.953 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.747 -5.612 -1.478 1.00 0.00 C ATOM 0 H LEU A 67 109.315 -3.633 2.205 1.00 0.00 H new ATOM 0 HA LEU A 67 110.553 -4.345 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.688 -5.654 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.650 -4.243 0.554 1.00 0.00 H new ATOM 0 HG LEU A 67 108.206 -4.109 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.916 -6.255 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.165 -5.626 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.109 -6.960 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.503 -5.828 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.699 -6.532 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.032 -4.893 -1.080 1.00 0.00 H new ATOM 1094 N PHE A 68 110.445 -1.923 -1.149 1.00 0.00 N ATOM 1095 CA PHE A 68 110.281 -0.635 -1.866 1.00 0.00 C ATOM 1096 C PHE A 68 109.715 -0.907 -3.260 1.00 0.00 C ATOM 1097 O PHE A 68 110.393 -1.423 -4.117 1.00 0.00 O ATOM 1098 CB PHE A 68 111.666 -0.004 -1.985 1.00 0.00 C ATOM 1099 CG PHE A 68 111.600 1.487 -1.796 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.678 2.065 -0.915 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.477 2.292 -2.515 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.640 3.452 -0.759 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.443 3.679 -2.364 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.523 4.262 -1.485 1.00 0.00 C ATOM 0 H PHE A 68 111.400 -2.282 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 68 109.601 0.030 -1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.332 -0.439 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.090 -0.231 -2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 68 109.997 1.439 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.187 1.842 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 68 109.930 3.900 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.125 4.301 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.494 5.335 -1.367 1.00 0.00 H new ATOM 1114 N PHE A 69 108.480 -0.574 -3.507 1.00 0.00 N ATOM 1115 CA PHE A 69 107.922 -0.845 -4.860 1.00 0.00 C ATOM 1116 C PHE A 69 107.270 0.414 -5.432 1.00 0.00 C ATOM 1117 O PHE A 69 106.359 0.985 -4.859 1.00 0.00 O ATOM 1118 CB PHE A 69 106.908 -1.993 -4.787 1.00 0.00 C ATOM 1119 CG PHE A 69 105.598 -1.517 -4.206 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.444 -1.413 -2.820 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.531 -1.200 -5.055 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.223 -0.989 -2.283 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.310 -0.778 -4.520 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.155 -0.672 -3.134 1.00 0.00 C ATOM 0 H PHE A 69 107.842 -0.134 -2.844 1.00 0.00 H new ATOM 0 HA PHE A 69 108.735 -1.138 -5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.742 -2.401 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.310 -2.801 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.266 -1.660 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.651 -1.282 -6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.104 -0.906 -1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.488 -0.534 -5.176 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.213 -0.346 -2.719 1.00 0.00 H new ATOM 1134 N LEU A 70 107.742 0.841 -6.571 1.00 0.00 N ATOM 1135 CA LEU A 70 107.182 2.053 -7.229 1.00 0.00 C ATOM 1136 C LEU A 70 106.014 1.634 -8.118 1.00 0.00 C ATOM 1137 O LEU A 70 105.757 0.461 -8.296 1.00 0.00 O ATOM 1138 CB LEU A 70 108.268 2.685 -8.099 1.00 0.00 C ATOM 1139 CG LEU A 70 108.551 4.114 -7.641 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.503 4.092 -6.441 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.199 4.882 -8.794 1.00 0.00 C ATOM 0 H LEU A 70 108.504 0.393 -7.080 1.00 0.00 H new ATOM 0 HA LEU A 70 106.842 2.767 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 70 109.180 2.091 -8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.952 2.686 -9.142 1.00 0.00 H new ATOM 0 HG LEU A 70 107.620 4.599 -7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.703 5.113 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 70 109.045 3.535 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.439 3.613 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.406 5.905 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 70 110.131 4.394 -9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.522 4.895 -9.648 1.00 0.00 H new ATOM 1153 N THR A 71 105.303 2.570 -8.685 1.00 0.00 N ATOM 1154 CA THR A 71 104.163 2.186 -9.565 1.00 0.00 C ATOM 1155 C THR A 71 104.064 3.137 -10.764 1.00 0.00 C ATOM 1156 O THR A 71 104.474 4.278 -10.687 1.00 0.00 O ATOM 1157 CB THR A 71 102.858 2.262 -8.778 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.796 3.501 -8.086 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.778 1.110 -7.773 1.00 0.00 C ATOM 0 H THR A 71 105.459 3.572 -8.579 1.00 0.00 H new ATOM 0 HA THR A 71 104.333 1.170 -9.920 1.00 0.00 H new ATOM 0 HB THR A 71 102.020 2.185 -9.471 1.00 0.00 H new ATOM 0 HG1 THR A 71 103.371 3.462 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.842 1.176 -7.218 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.818 0.160 -8.305 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.616 1.173 -7.079 1.00 0.00 H new ATOM 1167 N PRO A 72 103.498 2.631 -11.834 1.00 0.00 N ATOM 1168 CA PRO A 72 103.295 3.399 -13.076 1.00 0.00 C ATOM 1169 C PRO A 72 102.059 4.292 -12.929 1.00 0.00 C ATOM 1170 O PRO A 72 102.157 5.444 -12.563 1.00 0.00 O ATOM 1171 CB PRO A 72 103.064 2.318 -14.134 1.00 0.00 C ATOM 1172 CG PRO A 72 102.581 1.061 -13.374 1.00 0.00 C ATOM 1173 CD PRO A 72 103.013 1.239 -11.906 1.00 0.00 C ATOM 0 HA PRO A 72 104.129 4.054 -13.327 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.321 2.641 -14.863 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.982 2.111 -14.684 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.499 0.955 -13.449 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.020 0.159 -13.800 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.180 1.072 -11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.795 0.531 -11.633 1.00 0.00 H new ATOM 1181 N HIS A 73 100.891 3.759 -13.195 1.00 0.00 N ATOM 1182 CA HIS A 73 99.650 4.576 -13.048 1.00 0.00 C ATOM 1183 C HIS A 73 99.519 4.986 -11.576 1.00 0.00 C ATOM 1184 O HIS A 73 98.926 4.295 -10.781 1.00 0.00 O ATOM 1185 CB HIS A 73 98.431 3.747 -13.482 1.00 0.00 C ATOM 1186 CG HIS A 73 98.313 2.520 -12.616 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.493 2.484 -11.502 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.926 1.293 -12.670 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.639 1.277 -10.923 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.499 0.508 -11.600 1.00 0.00 N ATOM 0 H HIS A 73 100.746 2.798 -13.506 1.00 0.00 H new ATOM 0 HA HIS A 73 99.702 5.465 -13.676 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.525 4.347 -13.403 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.531 3.457 -14.528 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.632 0.983 -13.426 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.126 0.968 -10.024 1.00 0.00 H new ATOM 0 HE2 HIS A 73 98.782 -0.447 -11.381 1.00 0.00 H new ATOM 1198 N ARG A 74 100.098 6.099 -11.213 1.00 0.00 N ATOM 1199 CA ARG A 74 100.057 6.570 -9.791 1.00 0.00 C ATOM 1200 C ARG A 74 98.727 6.224 -9.109 1.00 0.00 C ATOM 1201 O ARG A 74 97.680 6.193 -9.725 1.00 0.00 O ATOM 1202 CB ARG A 74 100.254 8.087 -9.762 1.00 0.00 C ATOM 1203 CG ARG A 74 101.561 8.444 -10.471 1.00 0.00 C ATOM 1204 CD ARG A 74 102.076 9.786 -9.948 1.00 0.00 C ATOM 1205 NE ARG A 74 102.435 10.663 -11.097 1.00 0.00 N ATOM 1206 CZ ARG A 74 103.518 11.391 -11.051 1.00 0.00 C ATOM 1207 NH1 ARG A 74 103.928 11.878 -9.913 1.00 0.00 N ATOM 1208 NH2 ARG A 74 104.189 11.629 -12.145 1.00 0.00 N ATOM 0 H ARG A 74 100.606 6.714 -11.849 1.00 0.00 H new ATOM 0 HA ARG A 74 100.854 6.064 -9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 74 99.415 8.583 -10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 74 100.278 8.442 -8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 74 102.304 7.665 -10.299 1.00 0.00 H new ATOM 0 HG3 ARG A 74 101.400 8.499 -11.548 1.00 0.00 H new ATOM 0 HD2 ARG A 74 101.313 10.266 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 74 102.946 9.630 -9.310 1.00 0.00 H new ATOM 0 HE ARG A 74 101.834 10.695 -11.921 1.00 0.00 H new ATOM 0 HH11 ARG A 74 103.403 11.690 -9.059 1.00 0.00 H new ATOM 0 HH12 ARG A 74 104.774 12.447 -9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 74 103.867 11.247 -13.034 1.00 0.00 H new ATOM 0 HH22 ARG A 74 105.035 12.198 -12.111 1.00 0.00 H new ATOM 1222 N HIS A 75 98.778 5.991 -7.819 1.00 0.00 N ATOM 1223 CA HIS A 75 97.540 5.675 -7.037 1.00 0.00 C ATOM 1224 C HIS A 75 97.713 6.232 -5.629 1.00 0.00 C ATOM 1225 O HIS A 75 98.795 6.202 -5.075 1.00 0.00 O ATOM 1226 CB HIS A 75 97.323 4.157 -6.910 1.00 0.00 C ATOM 1227 CG HIS A 75 98.428 3.407 -7.587 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.335 2.983 -8.891 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.655 3.002 -7.151 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.484 2.351 -9.194 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.319 2.335 -8.163 1.00 0.00 N ATOM 0 H HIS A 75 99.636 6.007 -7.268 1.00 0.00 H new ATOM 0 HA HIS A 75 96.687 6.113 -7.554 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.279 3.878 -5.857 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.366 3.883 -7.353 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.540 3.122 -9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.050 3.177 -6.161 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.700 1.912 -10.157 1.00 0.00 H new ATOM 1239 N ARG A 76 96.670 6.722 -5.028 1.00 0.00 N ATOM 1240 CA ARG A 76 96.816 7.247 -3.646 1.00 0.00 C ATOM 1241 C ARG A 76 97.494 6.169 -2.799 1.00 0.00 C ATOM 1242 O ARG A 76 97.097 5.015 -2.815 1.00 0.00 O ATOM 1243 CB ARG A 76 95.436 7.567 -3.066 1.00 0.00 C ATOM 1244 CG ARG A 76 95.575 8.614 -1.958 1.00 0.00 C ATOM 1245 CD ARG A 76 94.649 9.796 -2.253 1.00 0.00 C ATOM 1246 NE ARG A 76 93.327 9.565 -1.604 1.00 0.00 N ATOM 1247 CZ ARG A 76 92.465 10.540 -1.519 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.932 11.038 -2.602 1.00 0.00 N ATOM 1249 NH2 ARG A 76 92.133 11.018 -0.351 1.00 0.00 N ATOM 0 H ARG A 76 95.733 6.782 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 76 97.413 8.159 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.778 7.939 -3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.978 6.661 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.324 8.173 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 76 96.608 8.955 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 76 95.092 10.720 -1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 76 94.522 9.913 -3.329 1.00 0.00 H new ATOM 0 HE ARG A 76 93.097 8.646 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 76 92.190 10.664 -3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 76 91.258 11.801 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 76 92.548 10.629 0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 76 91.459 11.781 -0.285 1.00 0.00 H new ATOM 1263 N VAL A 77 98.519 6.513 -2.069 1.00 0.00 N ATOM 1264 CA VAL A 77 99.190 5.472 -1.250 1.00 0.00 C ATOM 1265 C VAL A 77 98.192 4.952 -0.214 1.00 0.00 C ATOM 1266 O VAL A 77 98.390 3.915 0.389 1.00 0.00 O ATOM 1267 CB VAL A 77 100.468 6.035 -0.599 1.00 0.00 C ATOM 1268 CG1 VAL A 77 100.682 5.422 0.791 1.00 0.00 C ATOM 1269 CG2 VAL A 77 101.675 5.689 -1.492 1.00 0.00 C ATOM 0 H VAL A 77 98.913 7.452 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 77 99.505 4.639 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 77 100.366 7.115 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 77 101.589 5.832 1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 77 99.829 5.657 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 77 100.780 4.340 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 77 102.586 6.083 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 77 101.757 4.606 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 77 101.537 6.133 -2.478 1.00 0.00 H new ATOM 1279 N SER A 78 97.100 5.643 -0.032 1.00 0.00 N ATOM 1280 CA SER A 78 96.077 5.161 0.930 1.00 0.00 C ATOM 1281 C SER A 78 95.284 4.045 0.247 1.00 0.00 C ATOM 1282 O SER A 78 94.841 3.103 0.874 1.00 0.00 O ATOM 1283 CB SER A 78 95.139 6.309 1.305 1.00 0.00 C ATOM 1284 OG SER A 78 94.624 6.085 2.610 1.00 0.00 O ATOM 0 H SER A 78 96.875 6.517 -0.507 1.00 0.00 H new ATOM 0 HA SER A 78 96.551 4.791 1.839 1.00 0.00 H new ATOM 0 HB2 SER A 78 95.674 7.258 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 78 94.323 6.377 0.586 1.00 0.00 H new ATOM 0 HG SER A 78 93.905 6.725 2.792 1.00 0.00 H new ATOM 1290 N ALA A 79 95.118 4.146 -1.046 1.00 0.00 N ATOM 1291 CA ALA A 79 94.374 3.096 -1.795 1.00 0.00 C ATOM 1292 C ALA A 79 95.166 1.791 -1.748 1.00 0.00 C ATOM 1293 O ALA A 79 94.662 0.766 -1.335 1.00 0.00 O ATOM 1294 CB ALA A 79 94.200 3.529 -3.252 1.00 0.00 C ATOM 0 H ALA A 79 95.469 4.916 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 79 93.394 2.951 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.655 2.759 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.641 4.464 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 79 95.179 3.673 -3.708 1.00 0.00 H new ATOM 1300 N ILE A 80 96.408 1.813 -2.164 1.00 0.00 N ATOM 1301 CA ILE A 80 97.213 0.560 -2.127 1.00 0.00 C ATOM 1302 C ILE A 80 97.418 0.149 -0.673 1.00 0.00 C ATOM 1303 O ILE A 80 97.637 -1.007 -0.371 1.00 0.00 O ATOM 1304 CB ILE A 80 98.572 0.772 -2.787 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.361 1.426 -4.173 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.280 -0.586 -2.905 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.140 0.686 -5.268 1.00 0.00 C ATOM 0 H ILE A 80 96.892 2.636 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 80 96.681 -0.220 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 80 99.198 1.435 -2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.299 1.427 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 80 98.681 2.467 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.254 -0.449 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.414 -1.014 -1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 80 98.675 -1.260 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.969 1.172 -6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.205 0.708 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.801 -0.349 -5.320 1.00 0.00 H new ATOM 1319 N ASN A 81 97.332 1.078 0.240 1.00 0.00 N ATOM 1320 CA ASN A 81 97.494 0.705 1.667 1.00 0.00 C ATOM 1321 C ASN A 81 96.495 -0.416 1.939 1.00 0.00 C ATOM 1322 O ASN A 81 96.732 -1.309 2.725 1.00 0.00 O ATOM 1323 CB ASN A 81 97.200 1.921 2.557 1.00 0.00 C ATOM 1324 CG ASN A 81 96.753 1.460 3.947 1.00 0.00 C ATOM 1325 OD1 ASN A 81 95.921 2.090 4.572 1.00 0.00 O ATOM 1326 ND2 ASN A 81 97.273 0.380 4.459 1.00 0.00 N ATOM 0 H ASN A 81 97.159 2.067 0.059 1.00 0.00 H new ATOM 0 HA ASN A 81 98.510 0.376 1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.091 2.544 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.423 2.535 2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 81 96.982 0.063 5.384 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.971 -0.148 3.935 1.00 0.00 H new ATOM 1333 N ASN A 82 95.381 -0.372 1.262 1.00 0.00 N ATOM 1334 CA ASN A 82 94.347 -1.426 1.428 1.00 0.00 C ATOM 1335 C ASN A 82 94.948 -2.773 1.023 1.00 0.00 C ATOM 1336 O ASN A 82 94.735 -3.774 1.672 1.00 0.00 O ATOM 1337 CB ASN A 82 93.154 -1.105 0.528 1.00 0.00 C ATOM 1338 CG ASN A 82 91.949 -1.951 0.942 1.00 0.00 C ATOM 1339 OD1 ASN A 82 92.006 -2.679 1.913 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.852 -1.884 0.239 1.00 0.00 N ATOM 0 H ASN A 82 95.142 0.360 0.593 1.00 0.00 H new ATOM 0 HA ASN A 82 94.016 -1.468 2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.908 -0.046 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.409 -1.303 -0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 82 90.041 -2.443 0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.805 -1.272 -0.576 1.00 0.00 H new ATOM 1347 N TYR A 83 95.700 -2.805 -0.048 1.00 0.00 N ATOM 1348 CA TYR A 83 96.320 -4.094 -0.482 1.00 0.00 C ATOM 1349 C TYR A 83 97.328 -4.549 0.580 1.00 0.00 C ATOM 1350 O TYR A 83 97.177 -5.591 1.184 1.00 0.00 O ATOM 1351 CB TYR A 83 97.028 -3.890 -1.829 1.00 0.00 C ATOM 1352 CG TYR A 83 97.868 -5.103 -2.186 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.688 -6.324 -1.517 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.835 -5.000 -3.195 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.476 -7.431 -1.855 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.620 -6.108 -3.533 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.440 -7.324 -2.863 1.00 0.00 C ATOM 1358 OH TYR A 83 100.216 -8.416 -3.194 1.00 0.00 O ATOM 0 H TYR A 83 95.911 -2.000 -0.638 1.00 0.00 H new ATOM 0 HA TYR A 83 95.551 -4.858 -0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.289 -3.711 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.662 -3.004 -1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.941 -6.410 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.975 -4.063 -3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.339 -8.369 -1.337 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.365 -6.025 -4.311 1.00 0.00 H new ATOM 0 HH TYR A 83 101.139 -8.262 -2.903 1.00 0.00 H new ATOM 1368 N ALA A 84 98.357 -3.783 0.816 1.00 0.00 N ATOM 1369 CA ALA A 84 99.363 -4.185 1.840 1.00 0.00 C ATOM 1370 C ALA A 84 98.702 -4.246 3.220 1.00 0.00 C ATOM 1371 O ALA A 84 99.278 -4.731 4.172 1.00 0.00 O ATOM 1372 CB ALA A 84 100.499 -3.161 1.866 1.00 0.00 C ATOM 0 H ALA A 84 98.545 -2.898 0.345 1.00 0.00 H new ATOM 0 HA ALA A 84 99.761 -5.168 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.236 -3.454 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.974 -3.120 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.098 -2.179 2.116 1.00 0.00 H new ATOM 1378 N GLN A 85 97.500 -3.754 3.342 1.00 0.00 N ATOM 1379 CA GLN A 85 96.817 -3.784 4.668 1.00 0.00 C ATOM 1380 C GLN A 85 96.002 -5.073 4.810 1.00 0.00 C ATOM 1381 O GLN A 85 95.839 -5.594 5.896 1.00 0.00 O ATOM 1382 CB GLN A 85 95.885 -2.576 4.789 1.00 0.00 C ATOM 1383 CG GLN A 85 95.102 -2.662 6.100 1.00 0.00 C ATOM 1384 CD GLN A 85 95.978 -2.165 7.251 1.00 0.00 C ATOM 1385 OE1 GLN A 85 95.898 -1.015 7.638 1.00 0.00 O ATOM 1386 NE2 GLN A 85 96.816 -2.987 7.818 1.00 0.00 N ATOM 0 H GLN A 85 96.962 -3.334 2.584 1.00 0.00 H new ATOM 0 HA GLN A 85 97.569 -3.749 5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.464 -1.653 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.197 -2.548 3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.195 -2.062 6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 85 94.791 -3.690 6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 85 96.883 -3.952 7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.405 -2.666 8.586 1.00 0.00 H new ATOM 1395 N LYS A 86 95.492 -5.597 3.729 1.00 0.00 N ATOM 1396 CA LYS A 86 94.697 -6.853 3.820 1.00 0.00 C ATOM 1397 C LYS A 86 95.637 -8.003 4.172 1.00 0.00 C ATOM 1398 O LYS A 86 95.213 -9.085 4.525 1.00 0.00 O ATOM 1399 CB LYS A 86 94.016 -7.137 2.477 1.00 0.00 C ATOM 1400 CG LYS A 86 95.030 -6.979 1.342 1.00 0.00 C ATOM 1401 CD LYS A 86 94.564 -7.776 0.122 1.00 0.00 C ATOM 1402 CE LYS A 86 95.439 -9.020 -0.042 1.00 0.00 C ATOM 1403 NZ LYS A 86 94.571 -10.219 -0.211 1.00 0.00 N ATOM 0 H LYS A 86 95.591 -5.211 2.790 1.00 0.00 H new ATOM 0 HA LYS A 86 93.931 -6.749 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 86 93.605 -8.147 2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 86 93.181 -6.452 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 86 95.138 -5.926 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 86 96.010 -7.330 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 86 93.520 -8.066 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 86 94.622 -7.157 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 86 96.093 -8.906 -0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 86 96.082 -9.143 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 95.165 -11.065 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.965 -10.330 0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 93.976 -10.100 -1.056 1.00 0.00 H new ATOM 1417 N LEU A 87 96.916 -7.770 4.082 1.00 0.00 N ATOM 1418 CA LEU A 87 97.897 -8.833 4.411 1.00 0.00 C ATOM 1419 C LEU A 87 98.238 -8.754 5.900 1.00 0.00 C ATOM 1420 O LEU A 87 99.182 -9.361 6.365 1.00 0.00 O ATOM 1421 CB LEU A 87 99.160 -8.614 3.574 1.00 0.00 C ATOM 1422 CG LEU A 87 98.796 -8.703 2.090 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.550 -7.627 1.310 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.177 -10.081 1.551 1.00 0.00 C ATOM 0 H LEU A 87 97.324 -6.881 3.792 1.00 0.00 H new ATOM 0 HA LEU A 87 97.480 -9.816 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 87 99.595 -7.640 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 87 99.911 -9.363 3.823 1.00 0.00 H new ATOM 0 HG LEU A 87 97.723 -8.550 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.289 -7.693 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.277 -6.643 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.623 -7.777 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.917 -10.143 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.249 -10.235 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.636 -10.850 2.103 1.00 0.00 H new ATOM 1436 N CYS A 88 97.473 -8.009 6.653 1.00 0.00 N ATOM 1437 CA CYS A 88 97.748 -7.884 8.113 1.00 0.00 C ATOM 1438 C CYS A 88 97.114 -9.055 8.870 1.00 0.00 C ATOM 1439 O CYS A 88 96.579 -8.891 9.949 1.00 0.00 O ATOM 1440 CB CYS A 88 97.161 -6.568 8.628 1.00 0.00 C ATOM 1441 SG CYS A 88 97.773 -6.246 10.301 1.00 0.00 S ATOM 0 H CYS A 88 96.667 -7.480 6.318 1.00 0.00 H new ATOM 0 HA CYS A 88 98.826 -7.897 8.276 1.00 0.00 H new ATOM 0 HB2 CYS A 88 97.439 -5.749 7.964 1.00 0.00 H new ATOM 0 HB3 CYS A 88 96.072 -6.620 8.632 1.00 0.00 H new ATOM 0 HG CYS A 88 97.614 -7.308 11.033 1.00 0.00 H new ATOM 1447 N THR A 89 97.177 -10.237 8.322 1.00 0.00 N ATOM 1448 CA THR A 89 96.588 -11.415 9.019 1.00 0.00 C ATOM 1449 C THR A 89 97.704 -12.414 9.321 1.00 0.00 C ATOM 1450 O THR A 89 97.478 -13.600 9.450 1.00 0.00 O ATOM 1451 CB THR A 89 95.539 -12.073 8.119 1.00 0.00 C ATOM 1452 OG1 THR A 89 95.674 -11.577 6.794 1.00 0.00 O ATOM 1453 CG2 THR A 89 94.139 -11.754 8.646 1.00 0.00 C ATOM 0 H THR A 89 97.611 -10.438 7.421 1.00 0.00 H new ATOM 0 HA THR A 89 96.112 -11.098 9.947 1.00 0.00 H new ATOM 0 HB THR A 89 95.687 -13.153 8.119 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.582 -11.751 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 89 93.393 -12.223 8.004 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.036 -12.137 9.661 1.00 0.00 H new ATOM 0 HG23 THR A 89 93.988 -10.674 8.648 1.00 0.00 H new ATOM 1461 N PHE A 90 98.912 -11.934 9.425 1.00 0.00 N ATOM 1462 CA PHE A 90 100.062 -12.838 9.711 1.00 0.00 C ATOM 1463 C PHE A 90 101.305 -11.988 9.978 1.00 0.00 C ATOM 1464 O PHE A 90 101.857 -11.384 9.080 1.00 0.00 O ATOM 1465 CB PHE A 90 100.311 -13.741 8.499 1.00 0.00 C ATOM 1466 CG PHE A 90 99.977 -12.986 7.235 1.00 0.00 C ATOM 1467 CD1 PHE A 90 98.676 -13.026 6.718 1.00 0.00 C ATOM 1468 CD2 PHE A 90 100.966 -12.238 6.585 1.00 0.00 C ATOM 1469 CE1 PHE A 90 98.365 -12.319 5.550 1.00 0.00 C ATOM 1470 CE2 PHE A 90 100.655 -11.532 5.418 1.00 0.00 C ATOM 1471 CZ PHE A 90 99.354 -11.572 4.901 1.00 0.00 C ATOM 0 H PHE A 90 99.154 -10.948 9.324 1.00 0.00 H new ATOM 0 HA PHE A 90 99.842 -13.455 10.582 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.352 -14.063 8.479 1.00 0.00 H new ATOM 0 HB3 PHE A 90 99.700 -14.641 8.570 1.00 0.00 H new ATOM 0 HD1 PHE A 90 97.913 -13.602 7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 90 101.969 -12.206 6.984 1.00 0.00 H new ATOM 0 HE1 PHE A 90 97.362 -12.350 5.150 1.00 0.00 H new ATOM 0 HE2 PHE A 90 101.418 -10.956 4.916 1.00 0.00 H new ATOM 0 HZ PHE A 90 99.114 -11.026 4.001 1.00 0.00 H new ATOM 1481 N SER A 91 101.744 -11.925 11.204 1.00 0.00 N ATOM 1482 CA SER A 91 102.944 -11.102 11.523 1.00 0.00 C ATOM 1483 C SER A 91 102.548 -9.625 11.535 1.00 0.00 C ATOM 1484 O SER A 91 101.383 -9.286 11.445 1.00 0.00 O ATOM 1485 CB SER A 91 104.022 -11.335 10.464 1.00 0.00 C ATOM 1486 OG SER A 91 105.288 -11.456 11.100 1.00 0.00 O ATOM 0 H SER A 91 101.324 -12.407 11.999 1.00 0.00 H new ATOM 0 HA SER A 91 103.335 -11.386 12.500 1.00 0.00 H new ATOM 0 HB2 SER A 91 103.800 -12.238 9.895 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.036 -10.507 9.755 1.00 0.00 H new ATOM 0 HG SER A 91 105.864 -12.047 10.572 1.00 0.00 H new ATOM 1492 N PHE A 92 103.500 -8.741 11.645 1.00 0.00 N ATOM 1493 CA PHE A 92 103.163 -7.289 11.663 1.00 0.00 C ATOM 1494 C PHE A 92 103.176 -6.742 10.233 1.00 0.00 C ATOM 1495 O PHE A 92 103.548 -7.425 9.299 1.00 0.00 O ATOM 1496 CB PHE A 92 104.188 -6.534 12.520 1.00 0.00 C ATOM 1497 CG PHE A 92 105.441 -6.263 11.718 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.492 -5.167 10.848 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.552 -7.104 11.846 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.651 -4.914 10.107 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.708 -6.849 11.106 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.760 -5.755 10.237 1.00 0.00 C ATOM 0 H PHE A 92 104.493 -8.959 11.723 1.00 0.00 H new ATOM 0 HA PHE A 92 102.169 -7.152 12.090 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.760 -5.594 12.868 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.434 -7.120 13.406 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.636 -4.516 10.749 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.515 -7.950 12.517 1.00 0.00 H new ATOM 0 HE1 PHE A 92 106.689 -4.069 9.435 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.565 -7.499 11.205 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.656 -5.560 9.667 1.00 0.00 H new ATOM 1512 N LEU A 93 102.779 -5.514 10.059 1.00 0.00 N ATOM 1513 CA LEU A 93 102.776 -4.920 8.695 1.00 0.00 C ATOM 1514 C LEU A 93 102.759 -3.395 8.804 1.00 0.00 C ATOM 1515 O LEU A 93 101.996 -2.825 9.559 1.00 0.00 O ATOM 1516 CB LEU A 93 101.535 -5.388 7.935 1.00 0.00 C ATOM 1517 CG LEU A 93 101.497 -4.717 6.562 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.224 -5.768 5.484 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.385 -3.668 6.541 1.00 0.00 C ATOM 0 H LEU A 93 102.456 -4.895 10.803 1.00 0.00 H new ATOM 0 HA LEU A 93 103.671 -5.238 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.552 -6.472 7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.635 -5.140 8.498 1.00 0.00 H new ATOM 0 HG LEU A 93 102.456 -4.238 6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.197 -5.288 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.015 -6.518 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.265 -6.248 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.356 -3.188 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.427 -4.149 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.578 -2.918 7.308 1.00 0.00 H new ATOM 1531 N ILE A 94 103.594 -2.728 8.056 1.00 0.00 N ATOM 1532 CA ILE A 94 103.623 -1.239 8.116 1.00 0.00 C ATOM 1533 C ILE A 94 103.804 -0.681 6.705 1.00 0.00 C ATOM 1534 O ILE A 94 104.848 -0.166 6.358 1.00 0.00 O ATOM 1535 CB ILE A 94 104.784 -0.786 9.006 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.437 -1.057 10.471 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.030 0.712 8.815 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.470 -2.010 11.073 1.00 0.00 C ATOM 0 H ILE A 94 104.257 -3.149 7.406 1.00 0.00 H new ATOM 0 HA ILE A 94 102.686 -0.870 8.534 1.00 0.00 H new ATOM 0 HB ILE A 94 105.683 -1.338 8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.420 -0.122 11.031 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.440 -1.491 10.545 1.00 0.00 H new ATOM 0 HG21 ILE A 94 105.857 1.029 9.451 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.277 0.910 7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.131 1.266 9.086 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.222 -2.203 12.117 1.00 0.00 H new ATOM 0 HD12 ILE A 94 105.465 -2.949 10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.460 -1.559 11.012 1.00 0.00 H new ATOM 1550 N CYS A 95 102.792 -0.778 5.887 1.00 0.00 N ATOM 1551 CA CYS A 95 102.903 -0.252 4.499 1.00 0.00 C ATOM 1552 C CYS A 95 102.696 1.264 4.521 1.00 0.00 C ATOM 1553 O CYS A 95 101.702 1.757 5.017 1.00 0.00 O ATOM 1554 CB CYS A 95 101.834 -0.901 3.617 1.00 0.00 C ATOM 1555 SG CYS A 95 101.955 -0.242 1.936 1.00 0.00 S ATOM 0 H CYS A 95 101.893 -1.199 6.121 1.00 0.00 H new ATOM 0 HA CYS A 95 103.889 -0.484 4.097 1.00 0.00 H new ATOM 0 HB2 CYS A 95 101.965 -1.983 3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.843 -0.705 4.025 1.00 0.00 H new ATOM 0 HG CYS A 95 101.937 1.057 1.977 1.00 0.00 H new ATOM 1561 N LYS A 96 103.627 2.009 3.993 1.00 0.00 N ATOM 1562 CA LYS A 96 103.479 3.492 3.995 1.00 0.00 C ATOM 1563 C LYS A 96 103.792 4.042 2.602 1.00 0.00 C ATOM 1564 O LYS A 96 104.138 3.308 1.698 1.00 0.00 O ATOM 1565 CB LYS A 96 104.451 4.093 5.014 1.00 0.00 C ATOM 1566 CG LYS A 96 103.772 5.251 5.750 1.00 0.00 C ATOM 1567 CD LYS A 96 103.945 5.069 7.260 1.00 0.00 C ATOM 1568 CE LYS A 96 102.570 5.021 7.930 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.275 6.341 8.558 1.00 0.00 N ATOM 0 H LYS A 96 104.481 1.657 3.561 1.00 0.00 H new ATOM 0 HA LYS A 96 102.456 3.757 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.765 3.330 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 96 105.350 4.447 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 96 104.206 6.200 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 96 102.712 5.286 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 96 104.494 4.150 7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 96 104.533 5.890 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 96 101.804 4.777 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 96 102.549 4.235 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.340 6.308 9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 103.000 6.556 9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 102.278 7.081 7.828 1.00 0.00 H new ATOM 1583 N GLY A 97 103.675 5.331 2.423 1.00 0.00 N ATOM 1584 CA GLY A 97 103.969 5.930 1.091 1.00 0.00 C ATOM 1585 C GLY A 97 105.340 6.606 1.131 1.00 0.00 C ATOM 1586 O GLY A 97 106.026 6.576 2.134 1.00 0.00 O ATOM 0 H GLY A 97 103.388 5.994 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.954 5.158 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.200 6.657 0.829 1.00 0.00 H new ATOM 1590 N VAL A 98 105.746 7.216 0.051 1.00 0.00 N ATOM 1591 CA VAL A 98 107.076 7.891 0.034 1.00 0.00 C ATOM 1592 C VAL A 98 106.938 9.294 -0.562 1.00 0.00 C ATOM 1593 O VAL A 98 106.216 9.505 -1.517 1.00 0.00 O ATOM 1594 CB VAL A 98 108.048 7.077 -0.819 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.421 7.754 -0.817 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.176 5.667 -0.242 1.00 0.00 C ATOM 0 H VAL A 98 105.216 7.276 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 98 107.453 7.966 1.054 1.00 0.00 H new ATOM 0 HB VAL A 98 107.672 7.020 -1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.114 7.173 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.332 8.759 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.796 7.812 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.869 5.086 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.551 5.725 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.199 5.183 -0.243 1.00 0.00 H new ATOM 1606 N ASN A 99 107.631 10.251 -0.011 1.00 0.00 N ATOM 1607 CA ASN A 99 107.548 11.637 -0.552 1.00 0.00 C ATOM 1608 C ASN A 99 108.627 11.822 -1.620 1.00 0.00 C ATOM 1609 O ASN A 99 108.354 12.231 -2.731 1.00 0.00 O ATOM 1610 CB ASN A 99 107.770 12.643 0.579 1.00 0.00 C ATOM 1611 CG ASN A 99 106.885 13.870 0.354 1.00 0.00 C ATOM 1612 OD1 ASN A 99 107.284 14.808 -0.306 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.691 13.903 0.880 1.00 0.00 N ATOM 0 H ASN A 99 108.251 10.134 0.790 1.00 0.00 H new ATOM 0 HA ASN A 99 106.564 11.802 -0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.535 12.184 1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 99 108.818 12.940 0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 99 105.093 14.717 0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.356 13.115 1.434 1.00 0.00 H new ATOM 1620 N LYS A 100 109.853 11.514 -1.292 1.00 0.00 N ATOM 1621 CA LYS A 100 110.951 11.661 -2.288 1.00 0.00 C ATOM 1622 C LYS A 100 111.460 10.273 -2.679 1.00 0.00 C ATOM 1623 O LYS A 100 112.417 9.774 -2.121 1.00 0.00 O ATOM 1624 CB LYS A 100 112.097 12.470 -1.675 1.00 0.00 C ATOM 1625 CG LYS A 100 111.986 13.930 -2.119 1.00 0.00 C ATOM 1626 CD LYS A 100 112.989 14.202 -3.242 1.00 0.00 C ATOM 1627 CE LYS A 100 113.432 15.666 -3.189 1.00 0.00 C ATOM 1628 NZ LYS A 100 114.844 15.776 -3.651 1.00 0.00 N ATOM 0 H LYS A 100 110.141 11.167 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 100 110.577 12.180 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 100 112.060 12.406 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 100 113.056 12.056 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 100 110.973 14.140 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.180 14.593 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.853 13.546 -3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.536 13.983 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.784 16.276 -3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 100 113.340 16.048 -2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 115.145 16.771 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 115.457 15.206 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 114.918 15.427 -4.628 1.00 0.00 H new ATOM 1642 N GLU A 101 110.821 9.645 -3.630 1.00 0.00 N ATOM 1643 CA GLU A 101 111.258 8.283 -4.061 1.00 0.00 C ATOM 1644 C GLU A 101 112.786 8.232 -4.107 1.00 0.00 C ATOM 1645 O GLU A 101 113.421 7.578 -3.308 1.00 0.00 O ATOM 1646 CB GLU A 101 110.712 7.966 -5.462 1.00 0.00 C ATOM 1647 CG GLU A 101 109.349 8.632 -5.675 1.00 0.00 C ATOM 1648 CD GLU A 101 108.712 8.089 -6.955 1.00 0.00 C ATOM 1649 OE1 GLU A 101 109.270 7.165 -7.525 1.00 0.00 O ATOM 1650 OE2 GLU A 101 107.679 8.606 -7.346 1.00 0.00 O ATOM 0 H GLU A 101 110.013 10.017 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 101 110.876 7.551 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.415 8.314 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.619 6.887 -5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 101 108.699 8.437 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.467 9.713 -5.745 1.00 0.00 H new ATOM 1657 N TYR A 102 113.368 8.916 -5.052 1.00 0.00 N ATOM 1658 CA TYR A 102 114.856 8.929 -5.193 1.00 0.00 C ATOM 1659 C TYR A 102 115.549 8.886 -3.827 1.00 0.00 C ATOM 1660 O TYR A 102 116.081 7.872 -3.428 1.00 0.00 O ATOM 1661 CB TYR A 102 115.283 10.204 -5.925 1.00 0.00 C ATOM 1662 CG TYR A 102 116.758 10.132 -6.248 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.712 10.317 -5.236 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.172 9.879 -7.561 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.076 10.249 -5.542 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.537 9.811 -7.865 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.489 9.995 -6.856 1.00 0.00 C ATOM 1668 OH TYR A 102 120.833 9.928 -7.155 1.00 0.00 O ATOM 0 H TYR A 102 112.870 9.476 -5.744 1.00 0.00 H new ATOM 0 HA TYR A 102 115.150 8.044 -5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.705 10.320 -6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.078 11.077 -5.306 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.394 10.512 -4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.438 9.736 -8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.811 10.393 -4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.855 9.616 -8.879 1.00 0.00 H new ATOM 0 HH TYR A 102 120.947 9.744 -8.111 1.00 0.00 H new ATOM 1678 N LEU A 103 115.578 9.988 -3.127 1.00 0.00 N ATOM 1679 CA LEU A 103 116.275 10.024 -1.806 1.00 0.00 C ATOM 1680 C LEU A 103 116.020 8.737 -1.020 1.00 0.00 C ATOM 1681 O LEU A 103 116.933 7.986 -0.743 1.00 0.00 O ATOM 1682 CB LEU A 103 115.781 11.224 -0.992 1.00 0.00 C ATOM 1683 CG LEU A 103 116.925 12.225 -0.800 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.541 13.247 0.269 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.189 11.487 -0.357 1.00 0.00 C ATOM 0 H LEU A 103 115.148 10.868 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 103 117.346 10.116 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.947 11.704 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.411 10.890 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 103 117.112 12.736 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.357 13.957 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.643 13.780 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.349 12.733 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 103 119.000 12.203 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.999 10.972 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.471 10.759 -1.118 1.00 0.00 H new ATOM 1697 N MET A 104 114.797 8.485 -0.641 1.00 0.00 N ATOM 1698 CA MET A 104 114.492 7.252 0.145 1.00 0.00 C ATOM 1699 C MET A 104 115.320 6.070 -0.370 1.00 0.00 C ATOM 1700 O MET A 104 116.039 5.434 0.375 1.00 0.00 O ATOM 1701 CB MET A 104 113.005 6.923 0.019 1.00 0.00 C ATOM 1702 CG MET A 104 112.657 5.777 0.971 1.00 0.00 C ATOM 1703 SD MET A 104 110.990 6.022 1.630 1.00 0.00 S ATOM 1704 CE MET A 104 111.030 4.679 2.842 1.00 0.00 C ATOM 0 H MET A 104 113.993 9.080 -0.841 1.00 0.00 H new ATOM 0 HA MET A 104 114.745 7.430 1.190 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.405 7.802 0.255 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.769 6.643 -1.007 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.715 4.824 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.379 5.736 1.786 1.00 0.00 H new ATOM 0 HE1 MET A 104 110.043 4.563 3.289 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.315 3.751 2.347 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.756 4.913 3.621 1.00 0.00 H new ATOM 1714 N TYR A 105 115.224 5.767 -1.635 1.00 0.00 N ATOM 1715 CA TYR A 105 116.003 4.623 -2.190 1.00 0.00 C ATOM 1716 C TYR A 105 117.491 4.810 -1.876 1.00 0.00 C ATOM 1717 O TYR A 105 118.171 3.882 -1.491 1.00 0.00 O ATOM 1718 CB TYR A 105 115.801 4.555 -3.708 1.00 0.00 C ATOM 1719 CG TYR A 105 116.837 3.637 -4.316 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.617 2.253 -4.352 1.00 0.00 C ATOM 1721 CD2 TYR A 105 118.022 4.170 -4.836 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.583 1.408 -4.908 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.987 3.323 -5.390 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.768 1.942 -5.426 1.00 0.00 C ATOM 1725 OH TYR A 105 119.720 1.106 -5.974 1.00 0.00 O ATOM 0 H TYR A 105 114.640 6.262 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 105 115.655 3.695 -1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.799 4.191 -3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.884 5.552 -4.141 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.703 1.840 -3.951 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.191 5.236 -4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.414 0.342 -4.938 1.00 0.00 H new ATOM 0 HE2 TYR A 105 119.902 3.735 -5.790 1.00 0.00 H new ATOM 0 HH TYR A 105 120.481 1.638 -6.288 1.00 0.00 H new ATOM 1735 N SER A 106 118.006 5.998 -2.043 1.00 0.00 N ATOM 1736 CA SER A 106 119.450 6.232 -1.758 1.00 0.00 C ATOM 1737 C SER A 106 119.747 5.890 -0.297 1.00 0.00 C ATOM 1738 O SER A 106 120.489 4.975 -0.001 1.00 0.00 O ATOM 1739 CB SER A 106 119.792 7.701 -2.015 1.00 0.00 C ATOM 1740 OG SER A 106 120.492 7.810 -3.248 1.00 0.00 O ATOM 0 H SER A 106 117.489 6.816 -2.364 1.00 0.00 H new ATOM 0 HA SER A 106 120.052 5.599 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.881 8.299 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.402 8.092 -1.201 1.00 0.00 H new ATOM 0 HG SER A 106 120.046 8.469 -3.820 1.00 0.00 H new ATOM 1746 N ALA A 107 119.172 6.618 0.621 1.00 0.00 N ATOM 1747 CA ALA A 107 119.419 6.335 2.060 1.00 0.00 C ATOM 1748 C ALA A 107 119.110 4.863 2.353 1.00 0.00 C ATOM 1749 O ALA A 107 119.543 4.313 3.345 1.00 0.00 O ATOM 1750 CB ALA A 107 118.515 7.228 2.916 1.00 0.00 C ATOM 0 H ALA A 107 118.541 7.397 0.434 1.00 0.00 H new ATOM 0 HA ALA A 107 120.463 6.539 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.694 7.022 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.735 8.275 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.471 7.023 2.679 1.00 0.00 H new ATOM 1756 N LEU A 108 118.360 4.222 1.496 1.00 0.00 N ATOM 1757 CA LEU A 108 118.018 2.788 1.725 1.00 0.00 C ATOM 1758 C LEU A 108 119.183 1.896 1.286 1.00 0.00 C ATOM 1759 O LEU A 108 119.462 0.882 1.894 1.00 0.00 O ATOM 1760 CB LEU A 108 116.771 2.431 0.912 1.00 0.00 C ATOM 1761 CG LEU A 108 115.516 2.733 1.732 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.282 2.246 0.973 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.599 2.015 3.082 1.00 0.00 C ATOM 0 H LEU A 108 117.969 4.630 0.647 1.00 0.00 H new ATOM 0 HA LEU A 108 117.826 2.629 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.756 3.001 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.793 1.376 0.639 1.00 0.00 H new ATOM 0 HG LEU A 108 115.442 3.808 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.387 2.461 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.220 2.758 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.357 1.171 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.704 2.231 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.674 0.940 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.478 2.362 3.625 1.00 0.00 H new ATOM 1775 N THR A 109 119.862 2.262 0.235 1.00 0.00 N ATOM 1776 CA THR A 109 121.004 1.430 -0.239 1.00 0.00 C ATOM 1777 C THR A 109 122.237 1.727 0.614 1.00 0.00 C ATOM 1778 O THR A 109 123.200 0.988 0.611 1.00 0.00 O ATOM 1779 CB THR A 109 121.303 1.761 -1.703 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.785 3.095 -1.796 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.025 1.620 -2.531 1.00 0.00 C ATOM 0 H THR A 109 119.676 3.100 -0.316 1.00 0.00 H new ATOM 0 HA THR A 109 120.747 0.374 -0.151 1.00 0.00 H new ATOM 0 HB THR A 109 122.058 1.074 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.321 3.657 -1.141 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.239 1.856 -3.573 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.656 0.597 -2.459 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.268 2.306 -2.152 1.00 0.00 H new ATOM 1789 N ARG A 110 122.214 2.805 1.349 1.00 0.00 N ATOM 1790 CA ARG A 110 123.383 3.147 2.205 1.00 0.00 C ATOM 1791 C ARG A 110 123.153 2.604 3.616 1.00 0.00 C ATOM 1792 O ARG A 110 122.054 2.633 4.132 1.00 0.00 O ATOM 1793 CB ARG A 110 123.548 4.667 2.262 1.00 0.00 C ATOM 1794 CG ARG A 110 124.921 5.010 2.842 1.00 0.00 C ATOM 1795 CD ARG A 110 125.792 5.642 1.755 1.00 0.00 C ATOM 1796 NE ARG A 110 127.184 5.125 1.869 1.00 0.00 N ATOM 1797 CZ ARG A 110 128.194 5.907 1.600 1.00 0.00 C ATOM 1798 NH1 ARG A 110 128.649 6.723 2.512 1.00 0.00 N ATOM 1799 NH2 ARG A 110 128.748 5.874 0.419 1.00 0.00 N ATOM 0 H ARG A 110 121.436 3.463 1.393 1.00 0.00 H new ATOM 0 HA ARG A 110 124.285 2.702 1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.447 5.092 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 110 122.762 5.106 2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 110 124.812 5.698 3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.399 4.110 3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 110 125.387 5.411 0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 110 125.787 6.727 1.855 1.00 0.00 H new ATOM 0 HE ARG A 110 127.348 4.160 2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 110 128.215 6.749 3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 110 129.438 7.334 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 110 128.392 5.237 -0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 110 129.537 6.485 0.209 1.00 0.00 H new ATOM 1813 N ASP A 111 124.181 2.107 4.245 1.00 0.00 N ATOM 1814 CA ASP A 111 124.016 1.563 5.622 1.00 0.00 C ATOM 1815 C ASP A 111 123.257 2.576 6.483 1.00 0.00 C ATOM 1816 O ASP A 111 123.242 3.754 6.184 1.00 0.00 O ATOM 1817 CB ASP A 111 125.393 1.301 6.237 1.00 0.00 C ATOM 1818 CG ASP A 111 125.752 -0.178 6.079 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.160 -0.988 6.773 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.611 -0.474 5.265 1.00 0.00 O ATOM 0 H ASP A 111 125.127 2.054 3.866 1.00 0.00 H new ATOM 0 HA ASP A 111 123.455 0.630 5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.144 1.922 5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.389 1.574 7.292 1.00 0.00 H new ATOM 1825 N PRO A 112 122.650 2.083 7.532 1.00 0.00 N ATOM 1826 CA PRO A 112 122.679 0.651 7.881 1.00 0.00 C ATOM 1827 C PRO A 112 121.679 -0.130 7.020 1.00 0.00 C ATOM 1828 O PRO A 112 121.480 -1.314 7.204 1.00 0.00 O ATOM 1829 CB PRO A 112 122.257 0.634 9.352 1.00 0.00 C ATOM 1830 CG PRO A 112 121.475 1.947 9.597 1.00 0.00 C ATOM 1831 CD PRO A 112 121.883 2.920 8.476 1.00 0.00 C ATOM 0 HA PRO A 112 123.652 0.188 7.714 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.635 -0.235 9.568 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.127 0.573 10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.400 1.766 9.580 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.713 2.363 10.576 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.010 3.364 7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.487 3.741 8.862 1.00 0.00 H new ATOM 1839 N PHE A 113 121.043 0.525 6.085 1.00 0.00 N ATOM 1840 CA PHE A 113 120.054 -0.182 5.223 1.00 0.00 C ATOM 1841 C PHE A 113 120.779 -0.910 4.090 1.00 0.00 C ATOM 1842 O PHE A 113 121.285 -0.300 3.170 1.00 0.00 O ATOM 1843 CB PHE A 113 119.076 0.839 4.641 1.00 0.00 C ATOM 1844 CG PHE A 113 118.299 1.465 5.772 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.656 0.648 6.707 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.229 2.856 5.895 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.944 1.216 7.764 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.514 3.429 6.951 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.871 2.609 7.888 1.00 0.00 C ATOM 0 H PHE A 113 121.166 1.517 5.882 1.00 0.00 H new ATOM 0 HA PHE A 113 119.508 -0.913 5.819 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.616 1.605 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.397 0.354 3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.711 -0.426 6.611 1.00 0.00 H new ATOM 0 HD2 PHE A 113 118.727 3.488 5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.450 0.582 8.486 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.457 4.503 7.045 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.320 3.051 8.705 1.00 0.00 H new ATOM 1859 N SER A 114 120.832 -2.213 4.153 1.00 0.00 N ATOM 1860 CA SER A 114 121.524 -2.984 3.082 1.00 0.00 C ATOM 1861 C SER A 114 120.522 -3.348 1.983 1.00 0.00 C ATOM 1862 O SER A 114 119.335 -3.128 2.116 1.00 0.00 O ATOM 1863 CB SER A 114 122.116 -4.265 3.673 1.00 0.00 C ATOM 1864 OG SER A 114 121.935 -4.259 5.083 1.00 0.00 O ATOM 0 H SER A 114 120.426 -2.776 4.900 1.00 0.00 H new ATOM 0 HA SER A 114 122.323 -2.375 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.632 -5.138 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 114 123.177 -4.334 3.431 1.00 0.00 H new ATOM 0 HG SER A 114 122.312 -5.079 5.465 1.00 0.00 H new ATOM 1870 N VAL A 115 120.990 -3.907 0.900 1.00 0.00 N ATOM 1871 CA VAL A 115 120.065 -4.289 -0.203 1.00 0.00 C ATOM 1872 C VAL A 115 120.036 -5.812 -0.335 1.00 0.00 C ATOM 1873 O VAL A 115 121.007 -6.486 -0.052 1.00 0.00 O ATOM 1874 CB VAL A 115 120.554 -3.674 -1.517 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.493 -3.876 -2.601 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.801 -2.176 -1.318 1.00 0.00 C ATOM 0 H VAL A 115 121.974 -4.116 0.732 1.00 0.00 H new ATOM 0 HA VAL A 115 119.063 -3.922 0.019 1.00 0.00 H new ATOM 0 HB VAL A 115 121.482 -4.158 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 115 119.841 -3.438 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.316 -4.942 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.565 -3.392 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.149 -1.737 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 115 119.873 -1.692 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.557 -2.031 -0.546 1.00 0.00 H new ATOM 1886 N ILE A 116 118.933 -6.364 -0.761 1.00 0.00 N ATOM 1887 CA ILE A 116 118.854 -7.845 -0.905 1.00 0.00 C ATOM 1888 C ILE A 116 118.640 -8.214 -2.372 1.00 0.00 C ATOM 1889 O ILE A 116 119.447 -8.896 -2.971 1.00 0.00 O ATOM 1890 CB ILE A 116 117.689 -8.381 -0.075 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.859 -7.940 1.378 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.673 -9.909 -0.142 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.491 -7.609 1.972 1.00 0.00 C ATOM 0 H ILE A 116 118.086 -5.856 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 116 119.787 -8.286 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 116 116.751 -7.991 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.337 -8.731 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 116 118.511 -7.068 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.841 -10.290 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.556 -10.227 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.610 -10.300 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.611 -7.294 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 116 116.031 -6.804 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.854 -8.492 1.933 1.00 0.00 H new ATOM 1905 N GLU A 117 117.559 -7.777 -2.960 1.00 0.00 N ATOM 1906 CA GLU A 117 117.315 -8.124 -4.391 1.00 0.00 C ATOM 1907 C GLU A 117 116.346 -7.125 -5.023 1.00 0.00 C ATOM 1908 O GLU A 117 115.247 -6.925 -4.550 1.00 0.00 O ATOM 1909 CB GLU A 117 116.718 -9.530 -4.475 1.00 0.00 C ATOM 1910 CG GLU A 117 117.708 -10.466 -5.169 1.00 0.00 C ATOM 1911 CD GLU A 117 117.028 -11.805 -5.460 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.659 -12.477 -4.511 1.00 0.00 O ATOM 1913 OE2 GLU A 117 116.887 -12.135 -6.626 1.00 0.00 O ATOM 0 H GLU A 117 116.842 -7.202 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 117 118.262 -8.088 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.491 -9.900 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.778 -9.505 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 117 118.060 -10.016 -6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 117 118.583 -10.620 -4.537 1.00 0.00 H new ATOM 1920 N GLU A 118 116.746 -6.502 -6.098 1.00 0.00 N ATOM 1921 CA GLU A 118 115.849 -5.522 -6.773 1.00 0.00 C ATOM 1922 C GLU A 118 115.629 -5.952 -8.225 1.00 0.00 C ATOM 1923 O GLU A 118 116.521 -6.466 -8.872 1.00 0.00 O ATOM 1924 CB GLU A 118 116.492 -4.133 -6.744 1.00 0.00 C ATOM 1925 CG GLU A 118 118.016 -4.270 -6.781 1.00 0.00 C ATOM 1926 CD GLU A 118 118.657 -2.905 -6.521 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.318 -1.969 -7.224 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.477 -2.821 -5.621 1.00 0.00 O ATOM 0 H GLU A 118 117.657 -6.630 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 118 114.892 -5.488 -6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.149 -3.545 -7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.187 -3.599 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.346 -4.988 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.334 -4.654 -7.750 1.00 0.00 H new ATOM 1935 N SER A 119 114.450 -5.744 -8.745 1.00 0.00 N ATOM 1936 CA SER A 119 114.177 -6.142 -10.156 1.00 0.00 C ATOM 1937 C SER A 119 115.156 -5.426 -11.088 1.00 0.00 C ATOM 1938 O SER A 119 115.314 -5.791 -12.236 1.00 0.00 O ATOM 1939 CB SER A 119 112.745 -5.753 -10.528 1.00 0.00 C ATOM 1940 OG SER A 119 112.642 -4.337 -10.586 1.00 0.00 O ATOM 0 H SER A 119 113.665 -5.316 -8.255 1.00 0.00 H new ATOM 0 HA SER A 119 114.300 -7.220 -10.258 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.476 -6.188 -11.491 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.046 -6.150 -9.792 1.00 0.00 H new ATOM 0 HG SER A 119 111.726 -4.085 -10.826 1.00 0.00 H new ATOM 1946 N LEU A 120 115.813 -4.408 -10.606 1.00 0.00 N ATOM 1947 CA LEU A 120 116.779 -3.671 -11.469 1.00 0.00 C ATOM 1948 C LEU A 120 118.190 -3.810 -10.891 1.00 0.00 C ATOM 1949 O LEU A 120 118.363 -3.862 -9.691 1.00 0.00 O ATOM 1950 CB LEU A 120 116.390 -2.192 -11.515 1.00 0.00 C ATOM 1951 CG LEU A 120 115.075 -2.033 -12.278 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.644 -0.566 -12.255 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.272 -2.483 -13.728 1.00 0.00 C ATOM 0 H LEU A 120 115.723 -4.055 -9.653 1.00 0.00 H new ATOM 0 HA LEU A 120 116.758 -4.086 -12.477 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.285 -1.801 -10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.176 -1.613 -12.000 1.00 0.00 H new ATOM 0 HG LEU A 120 114.305 -2.644 -11.807 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.706 -0.454 -12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.505 -0.244 -11.223 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.413 0.046 -12.726 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.335 -2.371 -14.274 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.042 -1.871 -14.198 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.579 -3.529 -13.746 1.00 0.00 H new ATOM 1965 N PRO A 121 119.161 -3.861 -11.767 1.00 0.00 N ATOM 1966 CA PRO A 121 120.576 -3.990 -11.376 1.00 0.00 C ATOM 1967 C PRO A 121 121.115 -2.641 -10.899 1.00 0.00 C ATOM 1968 O PRO A 121 121.870 -2.560 -9.949 1.00 0.00 O ATOM 1969 CB PRO A 121 121.268 -4.431 -12.667 1.00 0.00 C ATOM 1970 CG PRO A 121 120.346 -3.987 -13.828 1.00 0.00 C ATOM 1971 CD PRO A 121 118.942 -3.795 -13.226 1.00 0.00 C ATOM 0 HA PRO A 121 120.736 -4.691 -10.556 1.00 0.00 H new ATOM 0 HB2 PRO A 121 122.253 -3.973 -12.756 1.00 0.00 H new ATOM 0 HB3 PRO A 121 121.416 -5.511 -12.679 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.706 -3.061 -14.276 1.00 0.00 H new ATOM 0 HG3 PRO A 121 120.329 -4.737 -14.618 1.00 0.00 H new ATOM 0 HD2 PRO A 121 118.510 -2.839 -13.521 1.00 0.00 H new ATOM 0 HD3 PRO A 121 118.255 -4.572 -13.561 1.00 0.00 H new ATOM 1979 N GLY A 122 120.727 -1.583 -11.551 1.00 0.00 N ATOM 1980 CA GLY A 122 121.206 -0.234 -11.140 1.00 0.00 C ATOM 1981 C GLY A 122 120.320 0.289 -10.009 1.00 0.00 C ATOM 1982 O GLY A 122 120.786 0.932 -9.089 1.00 0.00 O ATOM 0 H GLY A 122 120.097 -1.593 -12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.244 -0.288 -10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.176 0.450 -11.988 1.00 0.00 H new ATOM 1986 N GLY A 123 119.046 0.015 -10.067 1.00 0.00 N ATOM 1987 CA GLY A 123 118.130 0.492 -8.993 1.00 0.00 C ATOM 1988 C GLY A 123 117.237 1.609 -9.535 1.00 0.00 C ATOM 1989 O GLY A 123 116.541 1.441 -10.518 1.00 0.00 O ATOM 0 H GLY A 123 118.599 -0.519 -10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.517 -0.334 -8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.708 0.856 -8.144 1.00 0.00 H new ATOM 1993 N LEU A 124 117.247 2.747 -8.898 1.00 0.00 N ATOM 1994 CA LEU A 124 116.398 3.878 -9.367 1.00 0.00 C ATOM 1995 C LEU A 124 117.254 4.881 -10.140 1.00 0.00 C ATOM 1996 O LEU A 124 118.461 4.758 -10.219 1.00 0.00 O ATOM 1997 CB LEU A 124 115.788 4.585 -8.163 1.00 0.00 C ATOM 1998 CG LEU A 124 114.262 4.433 -8.138 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.795 3.093 -8.688 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.775 4.550 -6.698 1.00 0.00 C ATOM 0 H LEU A 124 117.809 2.943 -8.070 1.00 0.00 H new ATOM 0 HA LEU A 124 115.611 3.489 -10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.211 4.175 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.049 5.643 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 124 113.851 5.219 -8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.707 3.042 -8.646 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.123 2.990 -9.722 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.220 2.286 -8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.691 4.443 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 124 114.232 3.766 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.054 5.525 -6.298 1.00 0.00 H new