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 35 THR OG1 : rot 89:sc= -7.12! USER MOD Set 1.2: A 36 THR OG1 : rot 140:sc= -0.33 USER MOD Set 1.3: A 91 SER OG : rot 180:sc= -0.0782 USER MOD Set 2.1: A 71 THR OG1 : rot 130:sc= -1.88 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -9.37! C(o=-40!,f=-41!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -28.6! C(o=-40!,f=-50!) USER MOD Set 3.1: A 34 TYR OH : rot -14:sc= -4.45! USER MOD Set 3.2: A 64 HIS : no HD1:sc= -16.8! C(o=-21!,f=-21!) USER MOD Set 4.1: A 57 SER OG : rot -119:sc= -1.51! USER MOD Set 4.2: A 59 HIS : no HE2:sc= -7.21! C(o=-8.7!,f=-17!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 85:sc= 0.563 USER MOD Single : A 19 SER OG : rot -99:sc= 0.261 USER MOD Single : A 20 HIS : no HD1:sc= -2.55! K(o=-2.6!,f=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0.149 USER MOD Single : A 25 ASN : amide:sc= -0.543 K(o=-0.54,f=-1.2) USER MOD Single : A 27 THR OG1 : rot 13:sc= 0.411! USER MOD Single : A 30 CYS SG : rot -150:sc= -6.92! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -114:sc= -2.78! (180deg=-4.85!) USER MOD Single : A 44 TYR OH : rot -176:sc= -2.9! 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 -109:sc= -21.1! (180deg=-28.8!) USER MOD Single : A 50 LYS NZ :NH3+ -130:sc= -1.84! (180deg=-3.06!) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.026 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -5.87! C(o=-5.9!,f=-13!) USER MOD Single : A 61 SER OG : rot 177:sc= -0.091 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.407 USER MOD Single : A 63 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.27) USER MOD Single : A 65 ASN : amide:sc= -5.29! C(o=-5.3!,f=-5.7!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.114 USER MOD Single : A 81 ASN : amide:sc= -0.0701 X(o=-0.07,f=0) USER MOD Single : A 82 ASN : amide:sc= -0.432 K(o=-0.43,f=-2.2!) USER MOD Single : A 83 TYR OH : rot 19:sc= -3.61! USER MOD Single : A 85 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.16) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 0:sc= 0.198 USER MOD Single : A 89 THR OG1 : rot 48:sc= 1.52 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.366 USER MOD Single : A 96 LYS NZ :NH3+ -131:sc= -0.0913 (180deg=-0.892) 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 -114:sc= -1.13 (180deg=-6.33!) USER MOD Single : A 105 TYR OH : rot 172:sc= -1.38! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -40:sc= 0.898 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 132:sc= -2! USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 108.021 -5.480 18.399 1.00 0.00 N ATOM 75 CA ASP A 6 108.255 -5.181 16.959 1.00 0.00 C ATOM 76 C ASP A 6 108.176 -3.670 16.720 1.00 0.00 C ATOM 77 O ASP A 6 107.723 -2.931 17.572 1.00 0.00 O ATOM 78 CB ASP A 6 107.190 -5.886 16.115 1.00 0.00 C ATOM 79 CG ASP A 6 107.743 -7.216 15.598 1.00 0.00 C ATOM 80 OD1 ASP A 6 108.912 -7.476 15.825 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.987 -7.949 14.983 1.00 0.00 O ATOM 0 HA ASP A 6 109.245 -5.537 16.675 1.00 0.00 H new ATOM 0 HB2 ASP A 6 106.295 -6.060 16.712 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.897 -5.252 15.278 1.00 0.00 H new ATOM 86 N PRO A 7 108.618 -3.261 15.557 1.00 0.00 N ATOM 87 CA PRO A 7 108.614 -1.843 15.153 1.00 0.00 C ATOM 88 C PRO A 7 107.207 -1.418 14.731 1.00 0.00 C ATOM 89 O PRO A 7 106.570 -2.059 13.919 1.00 0.00 O ATOM 90 CB PRO A 7 109.577 -1.807 13.965 1.00 0.00 C ATOM 91 CG PRO A 7 109.634 -3.248 13.405 1.00 0.00 C ATOM 92 CD PRO A 7 109.163 -4.179 14.536 1.00 0.00 C ATOM 0 HA PRO A 7 108.910 -1.164 15.953 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.229 -1.108 13.204 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.566 -1.472 14.277 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.994 -3.349 12.529 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.646 -3.502 13.091 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.405 -4.880 14.185 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.987 -4.772 14.933 1.00 0.00 H new ATOM 100 N LYS A 8 106.717 -0.344 15.281 1.00 0.00 N ATOM 101 CA LYS A 8 105.350 0.119 14.918 1.00 0.00 C ATOM 102 C LYS A 8 105.432 1.105 13.751 1.00 0.00 C ATOM 103 O LYS A 8 104.456 1.732 13.393 1.00 0.00 O ATOM 104 CB LYS A 8 104.709 0.810 16.122 1.00 0.00 C ATOM 105 CG LYS A 8 105.427 2.133 16.395 1.00 0.00 C ATOM 106 CD LYS A 8 106.042 2.101 17.795 1.00 0.00 C ATOM 107 CE LYS A 8 104.931 2.209 18.842 1.00 0.00 C ATOM 108 NZ LYS A 8 105.362 3.130 19.932 1.00 0.00 N ATOM 0 H LYS A 8 107.204 0.234 15.966 1.00 0.00 H new ATOM 0 HA LYS A 8 104.746 -0.739 14.624 1.00 0.00 H new ATOM 0 HB2 LYS A 8 103.651 0.991 15.930 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.768 0.165 16.999 1.00 0.00 H new ATOM 0 HG2 LYS A 8 106.204 2.298 15.649 1.00 0.00 H new ATOM 0 HG3 LYS A 8 104.725 2.963 16.313 1.00 0.00 H new ATOM 0 HD2 LYS A 8 106.602 1.177 17.937 1.00 0.00 H new ATOM 0 HD3 LYS A 8 106.748 2.923 17.913 1.00 0.00 H new ATOM 0 HE2 LYS A 8 104.016 2.579 18.380 1.00 0.00 H new ATOM 0 HE3 LYS A 8 104.706 1.224 19.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 104.607 3.203 20.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 106.224 2.759 20.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 105.556 4.071 19.535 1.00 0.00 H new ATOM 122 N ASP A 9 106.583 1.251 13.152 1.00 0.00 N ATOM 123 CA ASP A 9 106.695 2.205 12.011 1.00 0.00 C ATOM 124 C ASP A 9 108.106 2.173 11.418 1.00 0.00 C ATOM 125 O ASP A 9 109.011 1.567 11.959 1.00 0.00 O ATOM 126 CB ASP A 9 106.390 3.621 12.506 1.00 0.00 C ATOM 127 CG ASP A 9 105.220 4.200 11.709 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.105 3.749 11.919 1.00 0.00 O ATOM 129 OD2 ASP A 9 105.457 5.083 10.903 1.00 0.00 O ATOM 0 H ASP A 9 107.441 0.758 13.399 1.00 0.00 H new ATOM 0 HA ASP A 9 105.982 1.914 11.239 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.146 3.602 13.568 1.00 0.00 H new ATOM 0 HB3 ASP A 9 107.270 4.255 12.393 1.00 0.00 H new ATOM 134 N PHE A 10 108.293 2.835 10.308 1.00 0.00 N ATOM 135 CA PHE A 10 109.636 2.871 9.660 1.00 0.00 C ATOM 136 C PHE A 10 110.670 3.368 10.674 1.00 0.00 C ATOM 137 O PHE A 10 110.313 3.906 11.704 1.00 0.00 O ATOM 138 CB PHE A 10 109.589 3.850 8.480 1.00 0.00 C ATOM 139 CG PHE A 10 109.012 3.170 7.260 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.704 2.672 7.285 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.785 3.049 6.099 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.169 2.052 6.149 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.250 2.428 4.965 1.00 0.00 C ATOM 144 CZ PHE A 10 107.943 1.930 4.990 1.00 0.00 C ATOM 0 H PHE A 10 107.566 3.357 9.818 1.00 0.00 H new ATOM 0 HA PHE A 10 109.908 1.874 9.312 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.984 4.718 8.742 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.592 4.216 8.261 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.107 2.766 8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.794 3.435 6.079 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.160 1.668 6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.847 2.333 4.070 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.531 1.451 4.114 1.00 0.00 H new ATOM 154 N PRO A 11 111.925 3.189 10.347 1.00 0.00 N ATOM 155 CA PRO A 11 113.034 3.628 11.210 1.00 0.00 C ATOM 156 C PRO A 11 113.229 5.142 11.080 1.00 0.00 C ATOM 157 O PRO A 11 113.275 5.680 9.992 1.00 0.00 O ATOM 158 CB PRO A 11 114.242 2.863 10.661 1.00 0.00 C ATOM 159 CG PRO A 11 113.890 2.479 9.205 1.00 0.00 C ATOM 160 CD PRO A 11 112.354 2.534 9.094 1.00 0.00 C ATOM 0 HA PRO A 11 112.867 3.432 12.269 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.140 3.480 10.694 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.444 1.974 11.259 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.354 3.168 8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.260 1.482 8.967 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.038 3.102 8.219 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.925 1.536 8.999 1.00 0.00 H new ATOM 168 N SER A 12 113.336 5.833 12.182 1.00 0.00 N ATOM 169 CA SER A 12 113.517 7.313 12.123 1.00 0.00 C ATOM 170 C SER A 12 114.528 7.673 11.031 1.00 0.00 C ATOM 171 O SER A 12 114.499 8.757 10.483 1.00 0.00 O ATOM 172 CB SER A 12 114.024 7.818 13.473 1.00 0.00 C ATOM 173 OG SER A 12 114.898 8.920 13.264 1.00 0.00 O ATOM 0 H SER A 12 113.306 5.437 13.122 1.00 0.00 H new ATOM 0 HA SER A 12 112.560 7.781 11.892 1.00 0.00 H new ATOM 0 HB2 SER A 12 113.185 8.118 14.100 1.00 0.00 H new ATOM 0 HB3 SER A 12 114.546 7.020 14.000 1.00 0.00 H new ATOM 0 HG SER A 12 115.224 9.248 14.128 1.00 0.00 H new ATOM 179 N GLU A 13 115.422 6.779 10.710 1.00 0.00 N ATOM 180 CA GLU A 13 116.429 7.084 9.655 1.00 0.00 C ATOM 181 C GLU A 13 115.717 7.360 8.328 1.00 0.00 C ATOM 182 O GLU A 13 115.948 8.366 7.688 1.00 0.00 O ATOM 183 CB GLU A 13 117.372 5.891 9.488 1.00 0.00 C ATOM 184 CG GLU A 13 118.724 6.382 8.964 1.00 0.00 C ATOM 185 CD GLU A 13 119.355 7.325 9.989 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.972 6.832 10.918 1.00 0.00 O ATOM 187 OE2 GLU A 13 119.210 8.526 9.827 1.00 0.00 O ATOM 0 H GLU A 13 115.499 5.853 11.131 1.00 0.00 H new ATOM 0 HA GLU A 13 117.003 7.963 9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.503 5.380 10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 13 116.942 5.167 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.384 5.535 8.779 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.592 6.897 8.013 1.00 0.00 H new ATOM 194 N LEU A 14 114.855 6.475 7.909 1.00 0.00 N ATOM 195 CA LEU A 14 114.133 6.689 6.623 1.00 0.00 C ATOM 196 C LEU A 14 112.958 7.642 6.845 1.00 0.00 C ATOM 197 O LEU A 14 112.183 7.905 5.947 1.00 0.00 O ATOM 198 CB LEU A 14 113.613 5.351 6.099 1.00 0.00 C ATOM 199 CG LEU A 14 114.793 4.421 5.819 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.307 2.971 5.790 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.413 4.779 4.466 1.00 0.00 C ATOM 0 H LEU A 14 114.619 5.613 8.401 1.00 0.00 H new ATOM 0 HA LEU A 14 114.817 7.123 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 14 112.944 4.897 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.033 5.505 5.189 1.00 0.00 H new ATOM 0 HG LEU A 14 115.540 4.536 6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.149 2.309 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.865 2.716 6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.559 2.854 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 14 116.255 4.117 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.665 4.664 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 14 115.761 5.812 4.487 1.00 0.00 H new ATOM 213 N LEU A 15 112.819 8.166 8.032 1.00 0.00 N ATOM 214 CA LEU A 15 111.692 9.102 8.299 1.00 0.00 C ATOM 215 C LEU A 15 112.107 10.520 7.898 1.00 0.00 C ATOM 216 O LEU A 15 111.452 11.487 8.233 1.00 0.00 O ATOM 217 CB LEU A 15 111.339 9.073 9.789 1.00 0.00 C ATOM 218 CG LEU A 15 110.787 7.693 10.163 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.112 7.768 11.534 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.759 7.252 9.116 1.00 0.00 C ATOM 0 H LEU A 15 113.435 7.987 8.825 1.00 0.00 H new ATOM 0 HA LEU A 15 110.821 8.798 7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.223 9.296 10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.601 9.843 10.013 1.00 0.00 H new ATOM 0 HG LEU A 15 111.605 6.973 10.197 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.719 6.787 11.800 1.00 0.00 H new ATOM 0 HD12 LEU A 15 110.840 8.082 12.281 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.295 8.488 11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 15 109.367 6.271 9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.942 7.973 9.082 1.00 0.00 H new ATOM 0 HD23 LEU A 15 110.236 7.199 8.137 1.00 0.00 H new ATOM 232 N SER A 16 113.191 10.650 7.181 1.00 0.00 N ATOM 233 CA SER A 16 113.646 12.004 6.757 1.00 0.00 C ATOM 234 C SER A 16 112.979 12.370 5.429 1.00 0.00 C ATOM 235 O SER A 16 113.048 13.497 4.980 1.00 0.00 O ATOM 236 CB SER A 16 115.165 12.003 6.585 1.00 0.00 C ATOM 237 OG SER A 16 115.726 10.959 7.369 1.00 0.00 O ATOM 0 H SER A 16 113.780 9.877 6.871 1.00 0.00 H new ATOM 0 HA SER A 16 113.370 12.736 7.516 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.423 11.864 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.578 12.965 6.890 1.00 0.00 H new ATOM 0 HG SER A 16 115.693 10.118 6.866 1.00 0.00 H new ATOM 243 N PHE A 17 112.331 11.427 4.799 1.00 0.00 N ATOM 244 CA PHE A 17 111.657 11.724 3.504 1.00 0.00 C ATOM 245 C PHE A 17 110.535 10.712 3.267 1.00 0.00 C ATOM 246 O PHE A 17 110.633 9.849 2.417 1.00 0.00 O ATOM 247 CB PHE A 17 112.667 11.651 2.353 1.00 0.00 C ATOM 248 CG PHE A 17 113.685 10.561 2.611 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.337 9.426 3.357 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.981 10.684 2.093 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.282 8.421 3.584 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.927 9.677 2.320 1.00 0.00 C ATOM 253 CZ PHE A 17 115.578 8.546 3.066 1.00 0.00 C ATOM 0 H PHE A 17 112.240 10.465 5.126 1.00 0.00 H new ATOM 0 HA PHE A 17 111.239 12.730 3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.146 11.456 1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.172 12.610 2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.338 9.328 3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.251 11.557 1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.013 7.547 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.925 9.773 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.307 7.769 3.243 1.00 0.00 H new ATOM 263 N LEU A 18 109.467 10.810 4.012 1.00 0.00 N ATOM 264 CA LEU A 18 108.340 9.853 3.828 1.00 0.00 C ATOM 265 C LEU A 18 107.026 10.629 3.717 1.00 0.00 C ATOM 266 O LEU A 18 107.001 11.841 3.807 1.00 0.00 O ATOM 267 CB LEU A 18 108.272 8.906 5.029 1.00 0.00 C ATOM 268 CG LEU A 18 108.249 7.458 4.534 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.482 7.193 3.668 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.257 6.509 5.735 1.00 0.00 C ATOM 0 H LEU A 18 109.327 11.511 4.739 1.00 0.00 H new ATOM 0 HA LEU A 18 108.500 9.275 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.131 9.065 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.380 9.114 5.620 1.00 0.00 H new ATOM 0 HG LEU A 18 107.348 7.291 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.465 6.162 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.478 7.868 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 18 110.383 7.360 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 18 108.241 5.477 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 18 109.158 6.677 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.378 6.696 6.352 1.00 0.00 H new ATOM 282 N SER A 19 105.934 9.943 3.521 1.00 0.00 N ATOM 283 CA SER A 19 104.624 10.643 3.401 1.00 0.00 C ATOM 284 C SER A 19 104.056 10.904 4.798 1.00 0.00 C ATOM 285 O SER A 19 103.608 11.992 5.101 1.00 0.00 O ATOM 286 CB SER A 19 103.650 9.768 2.612 1.00 0.00 C ATOM 287 OG SER A 19 103.288 8.640 3.398 1.00 0.00 O ATOM 0 H SER A 19 105.892 8.927 3.439 1.00 0.00 H new ATOM 0 HA SER A 19 104.765 11.591 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 19 102.761 10.341 2.347 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.110 9.443 1.679 1.00 0.00 H new ATOM 0 HG SER A 19 103.825 7.866 3.126 1.00 0.00 H new ATOM 293 N HIS A 20 104.070 9.916 5.649 1.00 0.00 N ATOM 294 CA HIS A 20 103.529 10.110 7.024 1.00 0.00 C ATOM 295 C HIS A 20 102.020 10.350 6.949 1.00 0.00 C ATOM 296 O HIS A 20 101.520 11.362 7.400 1.00 0.00 O ATOM 297 CB HIS A 20 104.205 11.317 7.675 1.00 0.00 C ATOM 298 CG HIS A 20 105.696 11.209 7.507 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.422 10.143 8.016 1.00 0.00 N ATOM 300 CD2 HIS A 20 106.610 12.026 6.890 1.00 0.00 C ATOM 301 CE1 HIS A 20 107.714 10.346 7.698 1.00 0.00 C ATOM 302 NE2 HIS A 20 107.885 11.479 7.011 1.00 0.00 N ATOM 0 H HIS A 20 104.432 8.983 5.452 1.00 0.00 H new ATOM 0 HA HIS A 20 103.727 9.219 7.620 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.843 12.239 7.220 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.950 11.363 8.734 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.376 12.953 6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.516 9.674 7.966 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.760 11.861 6.653 1.00 0.00 H new ATOM 310 N ALA A 21 101.290 9.428 6.384 1.00 0.00 N ATOM 311 CA ALA A 21 99.814 9.606 6.281 1.00 0.00 C ATOM 312 C ALA A 21 99.217 8.452 5.473 1.00 0.00 C ATOM 313 O ALA A 21 99.812 7.968 4.530 1.00 0.00 O ATOM 314 CB ALA A 21 99.508 10.931 5.582 1.00 0.00 C ATOM 0 H ALA A 21 101.651 8.560 5.989 1.00 0.00 H new ATOM 0 HA ALA A 21 99.378 9.614 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.429 11.062 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.934 11.753 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.944 10.924 4.583 1.00 0.00 H new ATOM 320 N VAL A 22 98.045 8.004 5.836 1.00 0.00 N ATOM 321 CA VAL A 22 97.410 6.882 5.089 1.00 0.00 C ATOM 322 C VAL A 22 96.177 7.396 4.344 1.00 0.00 C ATOM 323 O VAL A 22 95.671 6.756 3.445 1.00 0.00 O ATOM 324 CB VAL A 22 96.989 5.789 6.072 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.965 4.438 5.355 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.988 5.731 7.231 1.00 0.00 C ATOM 0 H VAL A 22 97.500 8.367 6.618 1.00 0.00 H new ATOM 0 HA VAL A 22 98.124 6.474 4.373 1.00 0.00 H new ATOM 0 HB VAL A 22 95.995 6.014 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.665 3.659 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.254 4.477 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.959 4.214 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.688 4.952 7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.982 5.507 6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.006 6.693 7.744 1.00 0.00 H new ATOM 336 N PHE A 23 95.687 8.548 4.714 1.00 0.00 N ATOM 337 CA PHE A 23 94.485 9.100 4.027 1.00 0.00 C ATOM 338 C PHE A 23 94.785 10.514 3.528 1.00 0.00 C ATOM 339 O PHE A 23 94.021 11.434 3.740 1.00 0.00 O ATOM 340 CB PHE A 23 93.312 9.144 5.008 1.00 0.00 C ATOM 341 CG PHE A 23 92.470 7.903 4.843 1.00 0.00 C ATOM 342 CD1 PHE A 23 92.930 6.675 5.333 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.228 7.978 4.201 1.00 0.00 C ATOM 344 CE1 PHE A 23 92.149 5.522 5.181 1.00 0.00 C ATOM 345 CE2 PHE A 23 90.448 6.827 4.049 1.00 0.00 C ATOM 346 CZ PHE A 23 90.908 5.599 4.539 1.00 0.00 C ATOM 0 H PHE A 23 96.066 9.130 5.461 1.00 0.00 H new ATOM 0 HA PHE A 23 94.228 8.464 3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.682 9.212 6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.707 10.033 4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 23 93.888 6.616 5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 23 90.872 8.925 3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 23 92.504 4.575 5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 23 89.490 6.886 3.553 1.00 0.00 H new ATOM 0 HZ PHE A 23 90.305 4.711 4.422 1.00 0.00 H new ATOM 356 N SER A 24 95.894 10.696 2.864 1.00 0.00 N ATOM 357 CA SER A 24 96.241 12.051 2.351 1.00 0.00 C ATOM 358 C SER A 24 95.398 12.357 1.112 1.00 0.00 C ATOM 359 O SER A 24 94.453 11.658 0.804 1.00 0.00 O ATOM 360 CB SER A 24 97.723 12.091 1.978 1.00 0.00 C ATOM 361 OG SER A 24 98.155 13.444 1.922 1.00 0.00 O ATOM 0 H SER A 24 96.574 9.965 2.655 1.00 0.00 H new ATOM 0 HA SER A 24 96.039 12.794 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.310 11.540 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.881 11.606 1.015 1.00 0.00 H new ATOM 0 HG SER A 24 99.105 13.474 1.685 1.00 0.00 H new ATOM 367 N ASN A 25 95.733 13.396 0.397 1.00 0.00 N ATOM 368 CA ASN A 25 94.952 13.745 -0.823 1.00 0.00 C ATOM 369 C ASN A 25 95.864 13.670 -2.048 1.00 0.00 C ATOM 370 O ASN A 25 95.470 13.211 -3.101 1.00 0.00 O ATOM 371 CB ASN A 25 94.395 15.163 -0.685 1.00 0.00 C ATOM 372 CG ASN A 25 95.503 16.106 -0.211 1.00 0.00 C ATOM 373 OD1 ASN A 25 96.255 16.627 -1.010 1.00 0.00 O ATOM 374 ND2 ASN A 25 95.634 16.349 1.064 1.00 0.00 N ATOM 0 H ASN A 25 96.514 14.018 0.605 1.00 0.00 H new ATOM 0 HA ASN A 25 94.127 13.043 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.998 15.503 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.568 15.172 0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 25 96.368 16.977 1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 25 95.002 15.911 1.734 1.00 0.00 H new ATOM 381 N ARG A 26 97.083 14.116 -1.918 1.00 0.00 N ATOM 382 CA ARG A 26 98.020 14.070 -3.076 1.00 0.00 C ATOM 383 C ARG A 26 98.187 12.622 -3.541 1.00 0.00 C ATOM 384 O ARG A 26 98.707 11.787 -2.828 1.00 0.00 O ATOM 385 CB ARG A 26 99.381 14.629 -2.654 1.00 0.00 C ATOM 386 CG ARG A 26 99.980 15.441 -3.804 1.00 0.00 C ATOM 387 CD ARG A 26 100.752 16.634 -3.239 1.00 0.00 C ATOM 388 NE ARG A 26 101.949 16.146 -2.499 1.00 0.00 N ATOM 389 CZ ARG A 26 102.188 16.573 -1.289 1.00 0.00 C ATOM 390 NH1 ARG A 26 101.482 16.123 -0.287 1.00 0.00 N ATOM 391 NH2 ARG A 26 103.130 17.450 -1.081 1.00 0.00 N ATOM 0 H ARG A 26 97.471 14.510 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 26 97.617 14.670 -3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 26 99.269 15.258 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 26 100.052 13.814 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 26 100.644 14.814 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 26 99.189 15.788 -4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 26 101.057 17.299 -4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.111 17.213 -2.574 1.00 0.00 H new ATOM 0 HE ARG A 26 102.582 15.478 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 26 100.744 15.438 -0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 26 101.669 16.456 0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 26 103.680 17.803 -1.864 1.00 0.00 H new ATOM 0 HH22 ARG A 26 103.317 17.784 -0.135 1.00 0.00 H new ATOM 405 N THR A 27 97.751 12.319 -4.733 1.00 0.00 N ATOM 406 CA THR A 27 97.887 10.926 -5.245 1.00 0.00 C ATOM 407 C THR A 27 99.313 10.712 -5.757 1.00 0.00 C ATOM 408 O THR A 27 99.830 11.499 -6.525 1.00 0.00 O ATOM 409 CB THR A 27 96.894 10.704 -6.388 1.00 0.00 C ATOM 410 OG1 THR A 27 97.320 11.433 -7.531 1.00 0.00 O ATOM 411 CG2 THR A 27 95.507 11.184 -5.961 1.00 0.00 C ATOM 0 H THR A 27 97.307 12.976 -5.374 1.00 0.00 H new ATOM 0 HA THR A 27 97.678 10.219 -4.442 1.00 0.00 H new ATOM 0 HB THR A 27 96.849 9.642 -6.630 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.242 11.739 -7.399 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.800 11.026 -6.776 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.182 10.624 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.548 12.246 -5.718 1.00 0.00 H new ATOM 419 N LEU A 28 99.952 9.655 -5.338 1.00 0.00 N ATOM 420 CA LEU A 28 101.345 9.394 -5.802 1.00 0.00 C ATOM 421 C LEU A 28 101.499 7.910 -6.138 1.00 0.00 C ATOM 422 O LEU A 28 101.002 7.054 -5.438 1.00 0.00 O ATOM 423 CB LEU A 28 102.329 9.765 -4.691 1.00 0.00 C ATOM 424 CG LEU A 28 101.730 9.391 -3.334 1.00 0.00 C ATOM 425 CD1 LEU A 28 102.844 8.931 -2.390 1.00 0.00 C ATOM 426 CD2 LEU A 28 101.028 10.612 -2.738 1.00 0.00 C ATOM 0 H LEU A 28 99.571 8.961 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 28 101.551 9.993 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 28 103.275 9.244 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.545 10.833 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 28 101.011 8.582 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.415 8.665 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 28 103.346 8.062 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 28 103.565 9.738 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 28 100.600 10.349 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 28 101.749 11.419 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 28 100.234 10.939 -3.409 1.00 0.00 H new ATOM 438 N ALA A 29 102.186 7.598 -7.203 1.00 0.00 N ATOM 439 CA ALA A 29 102.373 6.165 -7.574 1.00 0.00 C ATOM 440 C ALA A 29 103.668 5.647 -6.946 1.00 0.00 C ATOM 441 O ALA A 29 104.310 4.753 -7.463 1.00 0.00 O ATOM 442 CB ALA A 29 102.457 6.040 -9.096 1.00 0.00 C ATOM 0 H ALA A 29 102.625 8.271 -7.831 1.00 0.00 H new ATOM 0 HA ALA A 29 101.530 5.578 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.594 4.993 -9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.536 6.414 -9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.301 6.623 -9.463 1.00 0.00 H new ATOM 448 N CYS A 30 104.056 6.208 -5.832 1.00 0.00 N ATOM 449 CA CYS A 30 105.307 5.761 -5.158 1.00 0.00 C ATOM 450 C CYS A 30 104.978 5.330 -3.726 1.00 0.00 C ATOM 451 O CYS A 30 104.309 6.037 -2.997 1.00 0.00 O ATOM 452 CB CYS A 30 106.305 6.924 -5.132 1.00 0.00 C ATOM 453 SG CYS A 30 107.647 6.559 -3.975 1.00 0.00 S ATOM 0 H CYS A 30 103.557 6.961 -5.358 1.00 0.00 H new ATOM 0 HA CYS A 30 105.743 4.921 -5.698 1.00 0.00 H new ATOM 0 HB2 CYS A 30 106.709 7.090 -6.131 1.00 0.00 H new ATOM 0 HB3 CYS A 30 105.798 7.843 -4.837 1.00 0.00 H new ATOM 0 HG CYS A 30 108.101 7.669 -3.473 1.00 0.00 H new ATOM 459 N PHE A 31 105.437 4.178 -3.310 1.00 0.00 N ATOM 460 CA PHE A 31 105.128 3.732 -1.921 1.00 0.00 C ATOM 461 C PHE A 31 106.267 2.879 -1.359 1.00 0.00 C ATOM 462 O PHE A 31 106.864 2.075 -2.052 1.00 0.00 O ATOM 463 CB PHE A 31 103.849 2.892 -1.921 1.00 0.00 C ATOM 464 CG PHE A 31 102.794 3.551 -2.773 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.893 3.509 -4.169 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.709 4.194 -2.167 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.909 4.111 -4.957 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.723 4.794 -2.955 1.00 0.00 C ATOM 469 CZ PHE A 31 100.822 4.754 -4.350 1.00 0.00 C ATOM 0 H PHE A 31 106.004 3.536 -3.863 1.00 0.00 H new ATOM 0 HA PHE A 31 105.001 4.619 -1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.061 1.893 -2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.482 2.774 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.730 3.011 -4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.634 4.227 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.986 4.081 -6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.885 5.289 -2.487 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.061 5.219 -4.959 1.00 0.00 H new ATOM 479 N ALA A 32 106.547 3.031 -0.094 1.00 0.00 N ATOM 480 CA ALA A 32 107.615 2.218 0.547 1.00 0.00 C ATOM 481 C ALA A 32 106.961 1.334 1.610 1.00 0.00 C ATOM 482 O ALA A 32 106.272 1.817 2.487 1.00 0.00 O ATOM 483 CB ALA A 32 108.645 3.138 1.205 1.00 0.00 C ATOM 0 H ALA A 32 106.077 3.690 0.527 1.00 0.00 H new ATOM 0 HA ALA A 32 108.122 1.606 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.424 2.536 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.090 3.785 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.155 3.749 1.963 1.00 0.00 H new ATOM 489 N ILE A 33 107.145 0.047 1.534 1.00 0.00 N ATOM 490 CA ILE A 33 106.504 -0.849 2.537 1.00 0.00 C ATOM 491 C ILE A 33 107.522 -1.277 3.595 1.00 0.00 C ATOM 492 O ILE A 33 108.633 -1.662 3.290 1.00 0.00 O ATOM 493 CB ILE A 33 105.949 -2.085 1.832 1.00 0.00 C ATOM 494 CG1 ILE A 33 105.167 -1.649 0.591 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.022 -2.845 2.783 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.352 -2.827 0.054 1.00 0.00 C ATOM 0 H ILE A 33 107.708 -0.423 0.825 1.00 0.00 H new ATOM 0 HA ILE A 33 105.694 -0.309 3.027 1.00 0.00 H new ATOM 0 HB ILE A 33 106.771 -2.737 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 33 104.505 -0.820 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 33 105.854 -1.290 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.627 -3.727 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.581 -3.153 3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.197 -2.198 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.797 -2.512 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.024 -3.643 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.654 -3.166 0.820 1.00 0.00 H new ATOM 508 N TYR A 34 107.136 -1.222 4.839 1.00 0.00 N ATOM 509 CA TYR A 34 108.055 -1.631 5.936 1.00 0.00 C ATOM 510 C TYR A 34 107.410 -2.786 6.699 1.00 0.00 C ATOM 511 O TYR A 34 106.468 -2.596 7.440 1.00 0.00 O ATOM 512 CB TYR A 34 108.268 -0.450 6.884 1.00 0.00 C ATOM 513 CG TYR A 34 108.995 -0.909 8.123 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.059 -1.812 8.018 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.609 -0.426 9.379 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.737 -2.228 9.166 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.286 -0.846 10.527 1.00 0.00 C ATOM 518 CZ TYR A 34 110.351 -1.746 10.422 1.00 0.00 C ATOM 519 OH TYR A 34 111.025 -2.156 11.553 1.00 0.00 O ATOM 0 H TYR A 34 106.215 -0.908 5.145 1.00 0.00 H new ATOM 0 HA TYR A 34 109.017 -1.941 5.528 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.842 0.330 6.384 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.307 -0.014 7.157 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.356 -2.187 7.050 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.788 0.271 9.461 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.560 -2.922 9.084 1.00 0.00 H new ATOM 0 HE2 TYR A 34 108.986 -0.475 11.496 1.00 0.00 H new ATOM 0 HH TYR A 34 111.580 -2.935 11.339 1.00 0.00 H new ATOM 529 N THR A 35 107.891 -3.984 6.518 1.00 0.00 N ATOM 530 CA THR A 35 107.265 -5.130 7.236 1.00 0.00 C ATOM 531 C THR A 35 108.223 -6.324 7.272 1.00 0.00 C ATOM 532 O THR A 35 109.314 -6.279 6.739 1.00 0.00 O ATOM 533 CB THR A 35 105.954 -5.542 6.538 1.00 0.00 C ATOM 534 OG1 THR A 35 106.004 -6.924 6.211 1.00 0.00 O ATOM 535 CG2 THR A 35 105.746 -4.728 5.256 1.00 0.00 C ATOM 0 H THR A 35 108.679 -4.218 5.914 1.00 0.00 H new ATOM 0 HA THR A 35 107.046 -4.818 8.257 1.00 0.00 H new ATOM 0 HB THR A 35 105.124 -5.349 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 35 105.660 -7.451 6.963 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.815 -5.034 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.696 -3.667 5.502 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.578 -4.903 4.575 1.00 0.00 H new ATOM 543 N THR A 36 107.812 -7.391 7.902 1.00 0.00 N ATOM 544 CA THR A 36 108.678 -8.600 7.991 1.00 0.00 C ATOM 545 C THR A 36 109.237 -8.952 6.611 1.00 0.00 C ATOM 546 O THR A 36 108.651 -8.642 5.588 1.00 0.00 O ATOM 547 CB THR A 36 107.850 -9.779 8.512 1.00 0.00 C ATOM 548 OG1 THR A 36 106.473 -9.533 8.268 1.00 0.00 O ATOM 549 CG2 THR A 36 108.081 -9.949 10.013 1.00 0.00 C ATOM 0 H THR A 36 106.906 -7.477 8.362 1.00 0.00 H new ATOM 0 HA THR A 36 109.505 -8.394 8.671 1.00 0.00 H new ATOM 0 HB THR A 36 108.155 -10.690 7.997 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.039 -10.363 7.979 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.490 -10.789 10.379 1.00 0.00 H new ATOM 0 HG22 THR A 36 109.138 -10.140 10.199 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.780 -9.039 10.533 1.00 0.00 H new ATOM 557 N LYS A 37 110.367 -9.606 6.578 1.00 0.00 N ATOM 558 CA LYS A 37 110.971 -9.992 5.278 1.00 0.00 C ATOM 559 C LYS A 37 110.010 -10.916 4.529 1.00 0.00 C ATOM 560 O LYS A 37 109.722 -10.714 3.368 1.00 0.00 O ATOM 561 CB LYS A 37 112.289 -10.722 5.537 1.00 0.00 C ATOM 562 CG LYS A 37 112.045 -11.911 6.469 1.00 0.00 C ATOM 563 CD LYS A 37 113.386 -12.471 6.948 1.00 0.00 C ATOM 564 CE LYS A 37 113.832 -11.722 8.204 1.00 0.00 C ATOM 565 NZ LYS A 37 114.692 -12.612 9.036 1.00 0.00 N ATOM 0 H LYS A 37 110.897 -9.889 7.402 1.00 0.00 H new ATOM 0 HA LYS A 37 111.158 -9.102 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.716 -11.067 4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.012 -10.040 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.444 -11.599 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.481 -12.685 5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.292 -13.536 7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.136 -12.367 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 37 114.382 -10.822 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 37 112.962 -11.401 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.995 -12.102 9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 114.153 -13.458 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.529 -12.898 8.488 1.00 0.00 H new ATOM 579 N GLU A 38 109.508 -11.927 5.185 1.00 0.00 N ATOM 580 CA GLU A 38 108.567 -12.858 4.512 1.00 0.00 C ATOM 581 C GLU A 38 107.475 -12.050 3.812 1.00 0.00 C ATOM 582 O GLU A 38 107.028 -12.391 2.736 1.00 0.00 O ATOM 583 CB GLU A 38 107.931 -13.783 5.552 1.00 0.00 C ATOM 584 CG GLU A 38 108.466 -15.205 5.364 1.00 0.00 C ATOM 585 CD GLU A 38 109.991 -15.196 5.483 1.00 0.00 C ATOM 586 OE1 GLU A 38 110.635 -14.730 4.558 1.00 0.00 O ATOM 587 OE2 GLU A 38 110.489 -15.655 6.498 1.00 0.00 O ATOM 0 H GLU A 38 109.711 -12.146 6.160 1.00 0.00 H new ATOM 0 HA GLU A 38 109.107 -13.457 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.157 -13.428 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.846 -13.774 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 38 108.036 -15.869 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.169 -15.591 4.389 1.00 0.00 H new ATOM 594 N LYS A 39 107.048 -10.975 4.415 1.00 0.00 N ATOM 595 CA LYS A 39 105.990 -10.138 3.786 1.00 0.00 C ATOM 596 C LYS A 39 106.500 -9.596 2.454 1.00 0.00 C ATOM 597 O LYS A 39 105.988 -9.924 1.406 1.00 0.00 O ATOM 598 CB LYS A 39 105.649 -8.965 4.708 1.00 0.00 C ATOM 599 CG LYS A 39 104.270 -8.410 4.335 1.00 0.00 C ATOM 600 CD LYS A 39 103.495 -8.016 5.599 1.00 0.00 C ATOM 601 CE LYS A 39 103.532 -9.161 6.613 1.00 0.00 C ATOM 602 NZ LYS A 39 102.258 -9.180 7.386 1.00 0.00 N ATOM 0 H LYS A 39 107.387 -10.640 5.317 1.00 0.00 H new ATOM 0 HA LYS A 39 105.099 -10.744 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.653 -9.292 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.404 -8.185 4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.383 -7.543 3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.709 -9.158 3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.930 -7.117 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 39 102.462 -7.779 5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.672 -10.112 6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 39 104.378 -9.036 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 102.452 -8.949 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 101.601 -8.478 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 101.830 -10.126 7.327 1.00 0.00 H new ATOM 616 N ALA A 40 107.506 -8.764 2.487 1.00 0.00 N ATOM 617 CA ALA A 40 108.044 -8.196 1.216 1.00 0.00 C ATOM 618 C ALA A 40 108.143 -9.295 0.155 1.00 0.00 C ATOM 619 O ALA A 40 107.680 -9.139 -0.957 1.00 0.00 O ATOM 620 CB ALA A 40 109.434 -7.608 1.467 1.00 0.00 C ATOM 0 H ALA A 40 107.978 -8.453 3.336 1.00 0.00 H new ATOM 0 HA ALA A 40 107.373 -7.413 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.827 -7.193 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.366 -6.819 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.101 -8.392 1.825 1.00 0.00 H new ATOM 626 N ALA A 41 108.746 -10.402 0.487 1.00 0.00 N ATOM 627 CA ALA A 41 108.879 -11.508 -0.505 1.00 0.00 C ATOM 628 C ALA A 41 107.554 -11.704 -1.242 1.00 0.00 C ATOM 629 O ALA A 41 107.500 -11.706 -2.455 1.00 0.00 O ATOM 630 CB ALA A 41 109.255 -12.799 0.223 1.00 0.00 C ATOM 0 H ALA A 41 109.153 -10.590 1.403 1.00 0.00 H new ATOM 0 HA ALA A 41 109.656 -11.255 -1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.353 -13.609 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.203 -12.661 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.478 -13.049 0.945 1.00 0.00 H new ATOM 636 N LEU A 42 106.486 -11.873 -0.517 1.00 0.00 N ATOM 637 CA LEU A 42 105.161 -12.075 -1.171 1.00 0.00 C ATOM 638 C LEU A 42 104.794 -10.833 -1.986 1.00 0.00 C ATOM 639 O LEU A 42 104.362 -10.927 -3.118 1.00 0.00 O ATOM 640 CB LEU A 42 104.095 -12.310 -0.098 1.00 0.00 C ATOM 641 CG LEU A 42 104.008 -13.803 0.222 1.00 0.00 C ATOM 642 CD1 LEU A 42 103.997 -14.000 1.739 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.720 -14.378 -0.374 1.00 0.00 C ATOM 0 H LEU A 42 106.471 -11.880 0.503 1.00 0.00 H new ATOM 0 HA LEU A 42 105.213 -12.940 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.342 -11.749 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.128 -11.946 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 42 104.869 -14.316 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 42 103.935 -15.064 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 42 104.912 -13.590 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.136 -13.486 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.657 -15.442 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 42 101.860 -13.864 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 42 102.725 -14.238 -1.455 1.00 0.00 H new ATOM 655 N LEU A 43 104.958 -9.670 -1.419 1.00 0.00 N ATOM 656 CA LEU A 43 104.615 -8.421 -2.153 1.00 0.00 C ATOM 657 C LEU A 43 105.587 -8.220 -3.313 1.00 0.00 C ATOM 658 O LEU A 43 105.416 -7.341 -4.131 1.00 0.00 O ATOM 659 CB LEU A 43 104.698 -7.229 -1.199 1.00 0.00 C ATOM 660 CG LEU A 43 103.794 -7.481 0.010 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.591 -6.175 0.779 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.436 -8.006 -0.467 1.00 0.00 C ATOM 0 H LEU A 43 105.317 -9.531 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 43 103.601 -8.501 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.727 -7.081 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 43 104.392 -6.317 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 43 104.261 -8.218 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.947 -6.356 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.556 -5.800 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 43 103.125 -5.437 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.792 -8.185 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.970 -7.269 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.578 -8.938 -1.014 1.00 0.00 H new ATOM 674 N TYR A 44 106.605 -9.030 -3.401 1.00 0.00 N ATOM 675 CA TYR A 44 107.566 -8.874 -4.523 1.00 0.00 C ATOM 676 C TYR A 44 106.937 -9.447 -5.792 1.00 0.00 C ATOM 677 O TYR A 44 106.628 -8.731 -6.726 1.00 0.00 O ATOM 678 CB TYR A 44 108.864 -9.621 -4.206 1.00 0.00 C ATOM 679 CG TYR A 44 109.995 -9.006 -4.997 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.504 -7.755 -4.630 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.527 -9.681 -6.104 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.545 -7.181 -5.367 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.566 -9.105 -6.842 1.00 0.00 C ATOM 684 CZ TYR A 44 112.075 -7.853 -6.474 1.00 0.00 C ATOM 685 OH TYR A 44 113.099 -7.282 -7.203 1.00 0.00 O ATOM 0 H TYR A 44 106.811 -9.787 -2.749 1.00 0.00 H new ATOM 0 HA TYR A 44 107.796 -7.818 -4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.078 -9.566 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.761 -10.677 -4.456 1.00 0.00 H new ATOM 0 HD1 TYR A 44 110.093 -7.233 -3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.134 -10.646 -6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.940 -6.217 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 44 111.976 -9.625 -7.695 1.00 0.00 H new ATOM 0 HH TYR A 44 113.307 -7.850 -7.974 1.00 0.00 H new ATOM 695 N LYS A 45 106.733 -10.734 -5.829 1.00 0.00 N ATOM 696 CA LYS A 45 106.114 -11.358 -7.031 1.00 0.00 C ATOM 697 C LYS A 45 104.622 -11.017 -7.067 1.00 0.00 C ATOM 698 O LYS A 45 103.946 -11.257 -8.049 1.00 0.00 O ATOM 699 CB LYS A 45 106.289 -12.877 -6.961 1.00 0.00 C ATOM 700 CG LYS A 45 105.997 -13.358 -5.537 1.00 0.00 C ATOM 701 CD LYS A 45 105.645 -14.847 -5.560 1.00 0.00 C ATOM 702 CE LYS A 45 105.454 -15.350 -4.128 1.00 0.00 C ATOM 703 NZ LYS A 45 104.089 -15.927 -3.980 1.00 0.00 N ATOM 0 H LYS A 45 106.969 -11.382 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 45 106.597 -10.977 -7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 45 105.616 -13.364 -7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 45 107.304 -13.151 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 45 106.865 -13.189 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 45 105.173 -12.786 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 45 104.734 -15.007 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 45 106.437 -15.411 -6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 45 106.206 -16.103 -3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 45 105.592 -14.531 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 103.960 -16.269 -3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 103.379 -15.196 -4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 103.973 -16.720 -4.643 1.00 0.00 H new ATOM 717 N LYS A 46 104.100 -10.462 -6.006 1.00 0.00 N ATOM 718 CA LYS A 46 102.652 -10.113 -5.984 1.00 0.00 C ATOM 719 C LYS A 46 102.453 -8.686 -6.501 1.00 0.00 C ATOM 720 O LYS A 46 101.718 -8.456 -7.437 1.00 0.00 O ATOM 721 CB LYS A 46 102.123 -10.215 -4.553 1.00 0.00 C ATOM 722 CG LYS A 46 101.977 -11.688 -4.165 1.00 0.00 C ATOM 723 CD LYS A 46 100.559 -12.162 -4.490 1.00 0.00 C ATOM 724 CE LYS A 46 99.816 -12.483 -3.191 1.00 0.00 C ATOM 725 NZ LYS A 46 99.110 -13.787 -3.332 1.00 0.00 N ATOM 0 H LYS A 46 104.614 -10.236 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 46 102.107 -10.806 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.804 -9.713 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.160 -9.710 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 46 102.707 -12.292 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.181 -11.817 -3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 46 100.025 -11.391 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.597 -13.045 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.519 -12.526 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.101 -11.693 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 98.605 -14.006 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.429 -13.730 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 99.803 -14.537 -3.529 1.00 0.00 H new ATOM 739 N ILE A 47 103.099 -7.724 -5.897 1.00 0.00 N ATOM 740 CA ILE A 47 102.941 -6.313 -6.359 1.00 0.00 C ATOM 741 C ILE A 47 103.449 -6.185 -7.797 1.00 0.00 C ATOM 742 O ILE A 47 103.024 -5.324 -8.541 1.00 0.00 O ATOM 743 CB ILE A 47 103.754 -5.383 -5.456 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.090 -5.303 -4.068 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.834 -3.992 -6.096 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.151 -4.093 -3.980 1.00 0.00 C ATOM 0 H ILE A 47 103.728 -7.853 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 47 101.887 -6.037 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 47 104.765 -5.773 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.530 -6.218 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.857 -5.230 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.413 -3.329 -5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.318 -4.067 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.828 -3.590 -6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.694 -4.058 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.719 -3.178 -4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.371 -4.182 -4.737 1.00 0.00 H new ATOM 758 N MET A 48 104.358 -7.035 -8.193 1.00 0.00 N ATOM 759 CA MET A 48 104.895 -6.957 -9.582 1.00 0.00 C ATOM 760 C MET A 48 103.750 -7.107 -10.592 1.00 0.00 C ATOM 761 O MET A 48 103.912 -6.844 -11.767 1.00 0.00 O ATOM 762 CB MET A 48 105.918 -8.077 -9.793 1.00 0.00 C ATOM 763 CG MET A 48 107.327 -7.480 -9.846 1.00 0.00 C ATOM 764 SD MET A 48 108.515 -8.656 -9.147 1.00 0.00 S ATOM 765 CE MET A 48 108.947 -7.702 -7.669 1.00 0.00 C ATOM 0 H MET A 48 104.751 -7.779 -7.616 1.00 0.00 H new ATOM 0 HA MET A 48 105.376 -5.990 -9.730 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.850 -8.803 -8.983 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.703 -8.611 -10.719 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.595 -7.247 -10.876 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.357 -6.544 -9.289 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.962 -7.318 -7.768 1.00 0.00 H new ATOM 0 HE2 MET A 48 108.253 -6.869 -7.558 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.886 -8.344 -6.791 1.00 0.00 H new ATOM 775 N GLU A 49 102.595 -7.527 -10.148 1.00 0.00 N ATOM 776 CA GLU A 49 101.448 -7.694 -11.085 1.00 0.00 C ATOM 777 C GLU A 49 100.334 -6.697 -10.741 1.00 0.00 C ATOM 778 O GLU A 49 99.955 -5.877 -11.554 1.00 0.00 O ATOM 779 CB GLU A 49 100.907 -9.120 -10.976 1.00 0.00 C ATOM 780 CG GLU A 49 101.745 -10.052 -11.854 1.00 0.00 C ATOM 781 CD GLU A 49 101.146 -11.459 -11.823 1.00 0.00 C ATOM 782 OE1 GLU A 49 101.364 -12.152 -10.843 1.00 0.00 O ATOM 783 OE2 GLU A 49 100.481 -11.820 -12.780 1.00 0.00 O ATOM 0 H GLU A 49 102.397 -7.762 -9.175 1.00 0.00 H new ATOM 0 HA GLU A 49 101.790 -7.506 -12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 49 100.939 -9.454 -9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 49 99.863 -9.149 -11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 49 101.771 -9.679 -12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.775 -10.076 -11.498 1.00 0.00 H new ATOM 790 N LYS A 50 99.792 -6.763 -9.551 1.00 0.00 N ATOM 791 CA LYS A 50 98.695 -5.821 -9.185 1.00 0.00 C ATOM 792 C LYS A 50 99.083 -4.388 -9.553 1.00 0.00 C ATOM 793 O LYS A 50 98.236 -3.531 -9.704 1.00 0.00 O ATOM 794 CB LYS A 50 98.396 -5.895 -7.680 1.00 0.00 C ATOM 795 CG LYS A 50 99.639 -6.327 -6.890 1.00 0.00 C ATOM 796 CD LYS A 50 99.469 -7.753 -6.339 1.00 0.00 C ATOM 797 CE LYS A 50 98.047 -7.969 -5.808 1.00 0.00 C ATOM 798 NZ LYS A 50 97.218 -8.624 -6.860 1.00 0.00 N ATOM 0 H LYS A 50 100.061 -7.424 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 50 97.802 -6.110 -9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.056 -4.922 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 50 97.585 -6.601 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.518 -6.284 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 50 99.812 -5.633 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 50 99.682 -8.478 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 50 100.190 -7.927 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 50 98.072 -8.589 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.605 -7.014 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.329 -8.098 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.740 -8.629 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 97.007 -9.602 -6.577 1.00 0.00 H new ATOM 812 N TYR A 51 100.349 -4.110 -9.690 1.00 0.00 N ATOM 813 CA TYR A 51 100.758 -2.719 -10.041 1.00 0.00 C ATOM 814 C TYR A 51 101.871 -2.724 -11.094 1.00 0.00 C ATOM 815 O TYR A 51 102.073 -1.750 -11.789 1.00 0.00 O ATOM 816 CB TYR A 51 101.254 -2.005 -8.781 1.00 0.00 C ATOM 817 CG TYR A 51 100.114 -1.876 -7.801 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.867 -2.897 -6.875 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.298 -0.739 -7.822 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.805 -2.779 -5.973 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.237 -0.622 -6.924 1.00 0.00 C ATOM 822 CZ TYR A 51 97.988 -1.641 -5.996 1.00 0.00 C ATOM 823 OH TYR A 51 96.940 -1.525 -5.107 1.00 0.00 O ATOM 0 H TYR A 51 101.112 -4.777 -9.576 1.00 0.00 H new ATOM 0 HA TYR A 51 99.895 -2.197 -10.454 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.074 -2.564 -8.331 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.643 -1.019 -9.037 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.496 -3.775 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.490 0.049 -8.535 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.614 -3.566 -5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.607 0.255 -6.944 1.00 0.00 H new ATOM 0 HH TYR A 51 96.476 -0.675 -5.257 1.00 0.00 H new ATOM 833 N SER A 52 102.609 -3.793 -11.218 1.00 0.00 N ATOM 834 CA SER A 52 103.708 -3.806 -12.223 1.00 0.00 C ATOM 835 C SER A 52 104.745 -2.765 -11.803 1.00 0.00 C ATOM 836 O SER A 52 105.217 -1.979 -12.599 1.00 0.00 O ATOM 837 CB SER A 52 103.148 -3.449 -13.601 1.00 0.00 C ATOM 838 OG SER A 52 101.901 -4.105 -13.786 1.00 0.00 O ATOM 0 H SER A 52 102.500 -4.649 -10.674 1.00 0.00 H new ATOM 0 HA SER A 52 104.164 -4.795 -12.275 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.020 -2.370 -13.686 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.849 -3.749 -14.380 1.00 0.00 H new ATOM 0 HG SER A 52 101.539 -3.877 -14.668 1.00 0.00 H new ATOM 844 N VAL A 53 105.078 -2.756 -10.541 1.00 0.00 N ATOM 845 CA VAL A 53 106.064 -1.772 -10.005 1.00 0.00 C ATOM 846 C VAL A 53 107.153 -1.462 -11.029 1.00 0.00 C ATOM 847 O VAL A 53 107.752 -2.348 -11.607 1.00 0.00 O ATOM 848 CB VAL A 53 106.715 -2.356 -8.754 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.720 -2.309 -7.596 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.119 -3.807 -9.020 1.00 0.00 C ATOM 0 H VAL A 53 104.702 -3.401 -9.846 1.00 0.00 H new ATOM 0 HA VAL A 53 105.536 -0.847 -9.773 1.00 0.00 H new ATOM 0 HB VAL A 53 107.600 -1.774 -8.498 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.183 -2.726 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.430 -1.275 -7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.836 -2.892 -7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.584 -4.225 -8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.234 -4.390 -9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.827 -3.842 -9.848 1.00 0.00 H new ATOM 860 N THR A 54 107.436 -0.203 -11.229 1.00 0.00 N ATOM 861 CA THR A 54 108.513 0.176 -12.184 1.00 0.00 C ATOM 862 C THR A 54 109.852 -0.268 -11.596 1.00 0.00 C ATOM 863 O THR A 54 110.874 -0.249 -12.252 1.00 0.00 O ATOM 864 CB THR A 54 108.511 1.694 -12.379 1.00 0.00 C ATOM 865 OG1 THR A 54 107.401 2.065 -13.183 1.00 0.00 O ATOM 866 CG2 THR A 54 109.808 2.125 -13.065 1.00 0.00 C ATOM 0 H THR A 54 106.967 0.579 -10.771 1.00 0.00 H new ATOM 0 HA THR A 54 108.351 -0.304 -13.149 1.00 0.00 H new ATOM 0 HB THR A 54 108.437 2.185 -11.409 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.397 3.037 -13.307 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.805 3.206 -13.203 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.659 1.841 -12.446 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.886 1.636 -14.036 1.00 0.00 H new ATOM 874 N PHE A 55 109.843 -0.670 -10.353 1.00 0.00 N ATOM 875 CA PHE A 55 111.092 -1.122 -9.691 1.00 0.00 C ATOM 876 C PHE A 55 110.774 -1.422 -8.228 1.00 0.00 C ATOM 877 O PHE A 55 110.112 -0.653 -7.558 1.00 0.00 O ATOM 878 CB PHE A 55 112.148 -0.017 -9.793 1.00 0.00 C ATOM 879 CG PHE A 55 113.192 -0.179 -8.707 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.194 -1.149 -8.828 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.155 0.649 -7.578 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.156 -1.288 -7.824 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.116 0.510 -6.574 1.00 0.00 C ATOM 884 CZ PHE A 55 115.119 -0.459 -6.697 1.00 0.00 C ATOM 0 H PHE A 55 109.011 -0.703 -9.764 1.00 0.00 H new ATOM 0 HA PHE A 55 111.482 -2.019 -10.173 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.625 -0.051 -10.772 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.671 0.959 -9.705 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.224 -1.790 -9.697 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.382 1.397 -7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.929 -2.036 -7.918 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.085 1.149 -5.704 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.864 -0.567 -5.922 1.00 0.00 H new ATOM 894 N ILE A 56 111.229 -2.531 -7.727 1.00 0.00 N ATOM 895 CA ILE A 56 110.939 -2.866 -6.308 1.00 0.00 C ATOM 896 C ILE A 56 112.162 -3.534 -5.685 1.00 0.00 C ATOM 897 O ILE A 56 112.629 -4.553 -6.151 1.00 0.00 O ATOM 898 CB ILE A 56 109.740 -3.813 -6.241 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.650 -4.433 -4.844 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.912 -4.922 -7.277 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.315 -5.162 -4.696 1.00 0.00 C ATOM 0 H ILE A 56 111.787 -3.218 -8.234 1.00 0.00 H new ATOM 0 HA ILE A 56 110.706 -1.955 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 56 108.827 -3.255 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.475 -5.128 -4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.739 -3.657 -4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.058 -5.598 -7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 56 109.974 -4.483 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.826 -5.477 -7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.250 -5.604 -3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.497 -4.455 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.244 -5.948 -5.448 1.00 0.00 H new ATOM 913 N SER A 57 112.698 -2.956 -4.647 1.00 0.00 N ATOM 914 CA SER A 57 113.907 -3.550 -4.013 1.00 0.00 C ATOM 915 C SER A 57 113.636 -3.957 -2.565 1.00 0.00 C ATOM 916 O SER A 57 113.242 -3.152 -1.744 1.00 0.00 O ATOM 917 CB SER A 57 115.021 -2.513 -4.010 1.00 0.00 C ATOM 918 OG SER A 57 116.279 -3.172 -3.952 1.00 0.00 O ATOM 0 H SER A 57 112.353 -2.101 -4.211 1.00 0.00 H new ATOM 0 HA SER A 57 114.187 -4.436 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.962 -1.897 -4.907 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.908 -1.845 -3.156 1.00 0.00 H new ATOM 0 HG SER A 57 116.750 -2.906 -3.135 1.00 0.00 H new ATOM 924 N ARG A 58 113.888 -5.193 -2.239 1.00 0.00 N ATOM 925 CA ARG A 58 113.696 -5.648 -0.834 1.00 0.00 C ATOM 926 C ARG A 58 114.991 -5.361 -0.063 1.00 0.00 C ATOM 927 O ARG A 58 116.014 -5.963 -0.319 1.00 0.00 O ATOM 928 CB ARG A 58 113.418 -7.155 -0.817 1.00 0.00 C ATOM 929 CG ARG A 58 112.121 -7.431 -0.055 1.00 0.00 C ATOM 930 CD ARG A 58 112.215 -8.791 0.644 1.00 0.00 C ATOM 931 NE ARG A 58 113.070 -9.710 -0.159 1.00 0.00 N ATOM 932 CZ ARG A 58 112.532 -10.472 -1.073 1.00 0.00 C ATOM 933 NH1 ARG A 58 111.562 -10.012 -1.816 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.963 -11.692 -1.243 1.00 0.00 N ATOM 0 H ARG A 58 114.219 -5.909 -2.885 1.00 0.00 H new ATOM 0 HA ARG A 58 112.855 -5.127 -0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.339 -7.532 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.247 -7.682 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.944 -6.645 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.275 -7.422 -0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 58 112.634 -8.669 1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.219 -9.218 0.765 1.00 0.00 H new ATOM 0 HE ARG A 58 114.076 -9.744 0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 58 111.225 -9.059 -1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 58 111.141 -10.606 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 58 113.720 -12.051 -0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 58 112.542 -12.287 -1.957 1.00 0.00 H new ATOM 948 N HIS A 59 114.971 -4.439 0.864 1.00 0.00 N ATOM 949 CA HIS A 59 116.223 -4.125 1.619 1.00 0.00 C ATOM 950 C HIS A 59 116.083 -4.562 3.078 1.00 0.00 C ATOM 951 O HIS A 59 115.081 -5.112 3.480 1.00 0.00 O ATOM 952 CB HIS A 59 116.490 -2.619 1.573 1.00 0.00 C ATOM 953 CG HIS A 59 116.789 -2.203 0.161 1.00 0.00 C ATOM 954 ND1 HIS A 59 118.078 -1.930 -0.273 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.976 -2.005 -0.925 1.00 0.00 C ATOM 956 CE1 HIS A 59 118.002 -1.584 -1.570 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.745 -1.612 -2.018 1.00 0.00 N ATOM 0 H HIS A 59 114.151 -3.894 1.130 1.00 0.00 H new ATOM 0 HA HIS A 59 117.052 -4.662 1.158 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.623 -2.074 1.947 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.329 -2.368 2.222 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.928 -1.982 0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.904 -2.134 -0.932 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.855 -1.316 -2.176 1.00 0.00 H new ATOM 965 N ASN A 60 117.087 -4.311 3.874 1.00 0.00 N ATOM 966 CA ASN A 60 117.019 -4.704 5.309 1.00 0.00 C ATOM 967 C ASN A 60 117.204 -3.461 6.181 1.00 0.00 C ATOM 968 O ASN A 60 117.880 -2.522 5.805 1.00 0.00 O ATOM 969 CB ASN A 60 118.128 -5.711 5.623 1.00 0.00 C ATOM 970 CG ASN A 60 118.357 -6.620 4.414 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.567 -6.149 3.314 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.328 -7.915 4.573 1.00 0.00 N ATOM 0 H ASN A 60 117.952 -3.850 3.591 1.00 0.00 H new ATOM 0 HA ASN A 60 116.050 -5.159 5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.049 -5.185 5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 60 117.854 -6.308 6.493 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.482 -8.530 3.774 1.00 0.00 H new ATOM 0 HD22 ASN A 60 118.152 -8.312 5.496 1.00 0.00 H new ATOM 979 N SER A 61 116.610 -3.442 7.343 1.00 0.00 N ATOM 980 CA SER A 61 116.753 -2.257 8.233 1.00 0.00 C ATOM 981 C SER A 61 117.295 -2.699 9.594 1.00 0.00 C ATOM 982 O SER A 61 118.484 -2.662 9.841 1.00 0.00 O ATOM 983 CB SER A 61 115.388 -1.593 8.418 1.00 0.00 C ATOM 984 OG SER A 61 114.390 -2.597 8.540 1.00 0.00 O ATOM 0 H SER A 61 116.032 -4.196 7.714 1.00 0.00 H new ATOM 0 HA SER A 61 117.446 -1.547 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.395 -0.962 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.167 -0.946 7.569 1.00 0.00 H new ATOM 0 HG SER A 61 113.521 -2.176 8.705 1.00 0.00 H new ATOM 990 N TYR A 62 116.433 -3.114 10.480 1.00 0.00 N ATOM 991 CA TYR A 62 116.901 -3.554 11.825 1.00 0.00 C ATOM 992 C TYR A 62 116.254 -4.892 12.181 1.00 0.00 C ATOM 993 O TYR A 62 116.928 -5.865 12.459 1.00 0.00 O ATOM 994 CB TYR A 62 116.509 -2.505 12.868 1.00 0.00 C ATOM 995 CG TYR A 62 117.021 -1.153 12.434 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.258 -0.358 11.572 1.00 0.00 C ATOM 997 CD2 TYR A 62 118.261 -0.694 12.895 1.00 0.00 C ATOM 998 CE1 TYR A 62 116.733 0.893 11.169 1.00 0.00 C ATOM 999 CE2 TYR A 62 118.736 0.558 12.494 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.973 1.353 11.629 1.00 0.00 C ATOM 1001 OH TYR A 62 118.442 2.588 11.232 1.00 0.00 O ATOM 0 H TYR A 62 115.425 -3.168 10.332 1.00 0.00 H new ATOM 0 HA TYR A 62 117.985 -3.669 11.812 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.425 -2.477 12.982 1.00 0.00 H new ATOM 0 HB3 TYR A 62 116.925 -2.769 13.840 1.00 0.00 H new ATOM 0 HD1 TYR A 62 115.301 -0.711 11.218 1.00 0.00 H new ATOM 0 HD2 TYR A 62 118.850 -1.307 13.560 1.00 0.00 H new ATOM 0 HE1 TYR A 62 116.144 1.505 10.503 1.00 0.00 H new ATOM 0 HE2 TYR A 62 119.692 0.913 12.851 1.00 0.00 H new ATOM 0 HH TYR A 62 119.316 2.754 11.643 1.00 0.00 H new ATOM 1011 N ASN A 63 114.951 -4.950 12.175 1.00 0.00 N ATOM 1012 CA ASN A 63 114.263 -6.226 12.517 1.00 0.00 C ATOM 1013 C ASN A 63 113.400 -6.676 11.337 1.00 0.00 C ATOM 1014 O ASN A 63 112.816 -7.741 11.360 1.00 0.00 O ATOM 1015 CB ASN A 63 113.376 -6.013 13.744 1.00 0.00 C ATOM 1016 CG ASN A 63 114.156 -5.242 14.811 1.00 0.00 C ATOM 1017 OD1 ASN A 63 114.601 -5.814 15.786 1.00 0.00 O ATOM 1018 ND2 ASN A 63 114.343 -3.959 14.666 1.00 0.00 N ATOM 0 H ASN A 63 114.334 -4.170 11.948 1.00 0.00 H new ATOM 0 HA ASN A 63 115.008 -6.992 12.734 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.478 -5.461 13.465 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.049 -6.974 14.141 1.00 0.00 H new ATOM 0 HD21 ASN A 63 114.863 -3.436 15.371 1.00 0.00 H new ATOM 0 HD22 ASN A 63 113.970 -3.478 13.847 1.00 0.00 H new ATOM 1025 N HIS A 64 113.308 -5.877 10.308 1.00 0.00 N ATOM 1026 CA HIS A 64 112.473 -6.276 9.141 1.00 0.00 C ATOM 1027 C HIS A 64 113.072 -5.719 7.847 1.00 0.00 C ATOM 1028 O HIS A 64 114.130 -5.122 7.846 1.00 0.00 O ATOM 1029 CB HIS A 64 111.053 -5.751 9.340 1.00 0.00 C ATOM 1030 CG HIS A 64 110.442 -6.461 10.516 1.00 0.00 C ATOM 1031 ND1 HIS A 64 109.905 -5.781 11.597 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.310 -7.796 10.811 1.00 0.00 C ATOM 1033 CE1 HIS A 64 109.484 -6.700 12.486 1.00 0.00 C ATOM 1034 NE2 HIS A 64 109.706 -7.944 12.056 1.00 0.00 N ATOM 0 H HIS A 64 113.772 -4.972 10.226 1.00 0.00 H new ATOM 0 HA HIS A 64 112.449 -7.363 9.065 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.068 -4.675 9.513 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.457 -5.921 8.443 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.627 -8.608 10.173 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.023 -6.460 13.432 1.00 0.00 H new ATOM 0 HE2 HIS A 64 109.481 -8.815 12.536 1.00 0.00 H new ATOM 1042 N ASN A 65 112.414 -5.932 6.738 1.00 0.00 N ATOM 1043 CA ASN A 65 112.955 -5.441 5.438 1.00 0.00 C ATOM 1044 C ASN A 65 112.074 -4.320 4.879 1.00 0.00 C ATOM 1045 O ASN A 65 110.928 -4.161 5.261 1.00 0.00 O ATOM 1046 CB ASN A 65 112.987 -6.602 4.440 1.00 0.00 C ATOM 1047 CG ASN A 65 113.910 -7.709 4.958 1.00 0.00 C ATOM 1048 OD1 ASN A 65 113.849 -8.830 4.493 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.767 -7.445 5.908 1.00 0.00 N ATOM 0 H ASN A 65 111.524 -6.426 6.677 1.00 0.00 H new ATOM 0 HA ASN A 65 113.960 -5.051 5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.981 -6.995 4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.337 -6.249 3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.383 -8.179 6.258 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.820 -6.505 6.300 1.00 0.00 H new ATOM 1056 N ILE A 66 112.605 -3.551 3.962 1.00 0.00 N ATOM 1057 CA ILE A 66 111.812 -2.446 3.355 1.00 0.00 C ATOM 1058 C ILE A 66 111.458 -2.831 1.921 1.00 0.00 C ATOM 1059 O ILE A 66 112.269 -2.714 1.023 1.00 0.00 O ATOM 1060 CB ILE A 66 112.645 -1.149 3.359 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.450 -0.431 4.696 1.00 0.00 C ATOM 1062 CG2 ILE A 66 112.206 -0.214 2.214 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.216 -1.175 5.793 1.00 0.00 C ATOM 0 H ILE A 66 113.557 -3.644 3.608 1.00 0.00 H new ATOM 0 HA ILE A 66 110.900 -2.280 3.929 1.00 0.00 H new ATOM 0 HB ILE A 66 113.694 -1.407 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.805 0.597 4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.390 -0.386 4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.807 0.695 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 66 112.346 -0.719 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 66 111.154 0.044 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.077 -0.663 6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.840 -2.195 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.277 -1.197 5.545 1.00 0.00 H new ATOM 1075 N LEU A 67 110.256 -3.271 1.686 1.00 0.00 N ATOM 1076 CA LEU A 67 109.878 -3.633 0.298 1.00 0.00 C ATOM 1077 C LEU A 67 109.582 -2.341 -0.446 1.00 0.00 C ATOM 1078 O LEU A 67 108.464 -1.865 -0.498 1.00 0.00 O ATOM 1079 CB LEU A 67 108.644 -4.537 0.302 1.00 0.00 C ATOM 1080 CG LEU A 67 108.292 -4.925 -1.135 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.882 -6.300 -1.453 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.771 -4.977 -1.288 1.00 0.00 C ATOM 0 H LEU A 67 109.526 -3.394 2.388 1.00 0.00 H new ATOM 0 HA LEU A 67 110.687 -4.178 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.837 -5.431 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.804 -4.021 0.767 1.00 0.00 H new ATOM 0 HG LEU A 67 108.704 -4.186 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.631 -6.576 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.966 -6.265 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.471 -7.040 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.518 -5.253 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.361 -5.717 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.349 -3.998 -1.061 1.00 0.00 H new ATOM 1094 N PHE A 68 110.600 -1.769 -1.006 1.00 0.00 N ATOM 1095 CA PHE A 68 110.454 -0.495 -1.747 1.00 0.00 C ATOM 1096 C PHE A 68 109.850 -0.800 -3.114 1.00 0.00 C ATOM 1097 O PHE A 68 110.316 -1.674 -3.810 1.00 0.00 O ATOM 1098 CB PHE A 68 111.857 0.087 -1.917 1.00 0.00 C ATOM 1099 CG PHE A 68 111.846 1.590 -1.824 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.977 2.256 -0.950 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.724 2.316 -2.625 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.997 3.653 -0.885 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.745 3.706 -2.564 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.881 4.380 -1.693 1.00 0.00 C ATOM 0 H PHE A 68 111.550 -2.139 -0.981 1.00 0.00 H new ATOM 0 HA PHE A 68 109.810 0.210 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.517 -0.321 -1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.263 -0.216 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.295 1.694 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.392 1.798 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.331 4.172 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.427 4.264 -3.188 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.896 5.459 -1.644 1.00 0.00 H new ATOM 1114 N PHE A 69 108.810 -0.111 -3.505 1.00 0.00 N ATOM 1115 CA PHE A 69 108.201 -0.415 -4.830 1.00 0.00 C ATOM 1116 C PHE A 69 107.457 0.799 -5.389 1.00 0.00 C ATOM 1117 O PHE A 69 106.805 1.538 -4.674 1.00 0.00 O ATOM 1118 CB PHE A 69 107.222 -1.586 -4.685 1.00 0.00 C ATOM 1119 CG PHE A 69 105.959 -1.134 -3.980 1.00 0.00 C ATOM 1120 CD1 PHE A 69 106.023 -0.677 -2.657 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.720 -1.189 -4.640 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.855 -0.273 -2.000 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.555 -0.788 -3.979 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.621 -0.330 -2.660 1.00 0.00 C ATOM 0 H PHE A 69 108.363 0.636 -2.974 1.00 0.00 H new ATOM 0 HA PHE A 69 109.002 -0.677 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.974 -1.985 -5.669 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.691 -2.393 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.973 -0.637 -2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.667 -1.542 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.905 0.084 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.603 -0.832 -4.488 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.721 -0.020 -2.150 1.00 0.00 H new ATOM 1134 N LEU A 70 107.540 0.987 -6.678 1.00 0.00 N ATOM 1135 CA LEU A 70 106.830 2.124 -7.323 1.00 0.00 C ATOM 1136 C LEU A 70 105.603 1.572 -8.035 1.00 0.00 C ATOM 1137 O LEU A 70 105.232 0.430 -7.854 1.00 0.00 O ATOM 1138 CB LEU A 70 107.743 2.790 -8.353 1.00 0.00 C ATOM 1139 CG LEU A 70 109.064 3.176 -7.696 1.00 0.00 C ATOM 1140 CD1 LEU A 70 110.162 3.224 -8.762 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.920 4.553 -7.042 1.00 0.00 C ATOM 0 H LEU A 70 108.074 0.396 -7.315 1.00 0.00 H new ATOM 0 HA LEU A 70 106.545 2.859 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 70 107.925 2.110 -9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.258 3.675 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 70 109.328 2.440 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 70 111.109 3.500 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 70 110.259 2.244 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.901 3.963 -9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.862 4.833 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 70 108.661 5.291 -7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.134 4.517 -6.288 1.00 0.00 H new ATOM 1153 N THR A 71 104.967 2.361 -8.845 1.00 0.00 N ATOM 1154 CA THR A 71 103.770 1.852 -9.560 1.00 0.00 C ATOM 1155 C THR A 71 103.483 2.729 -10.785 1.00 0.00 C ATOM 1156 O THR A 71 103.935 3.854 -10.861 1.00 0.00 O ATOM 1157 CB THR A 71 102.583 1.867 -8.603 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.639 3.043 -7.806 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.644 0.631 -7.698 1.00 0.00 C ATOM 0 H THR A 71 105.220 3.329 -9.043 1.00 0.00 H new ATOM 0 HA THR A 71 103.946 0.832 -9.903 1.00 0.00 H new ATOM 0 HB THR A 71 101.653 1.855 -9.171 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.771 3.497 -7.831 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.796 0.640 -7.013 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.607 -0.270 -8.310 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.572 0.644 -7.127 1.00 0.00 H new ATOM 1167 N PRO A 72 102.748 2.173 -11.716 1.00 0.00 N ATOM 1168 CA PRO A 72 102.388 2.864 -12.969 1.00 0.00 C ATOM 1169 C PRO A 72 101.273 3.889 -12.733 1.00 0.00 C ATOM 1170 O PRO A 72 101.533 5.029 -12.401 1.00 0.00 O ATOM 1171 CB PRO A 72 101.910 1.730 -13.880 1.00 0.00 C ATOM 1172 CG PRO A 72 101.488 0.570 -12.946 1.00 0.00 C ATOM 1173 CD PRO A 72 102.206 0.804 -11.604 1.00 0.00 C ATOM 0 HA PRO A 72 103.218 3.428 -13.395 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.073 2.055 -14.499 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.704 1.415 -14.557 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.407 0.556 -12.810 1.00 0.00 H new ATOM 0 HG3 PRO A 72 101.768 -0.393 -13.373 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.518 0.716 -10.764 1.00 0.00 H new ATOM 0 HD3 PRO A 72 102.999 0.074 -11.444 1.00 0.00 H new ATOM 1181 N HIS A 73 100.036 3.503 -12.909 1.00 0.00 N ATOM 1182 CA HIS A 73 98.928 4.477 -12.699 1.00 0.00 C ATOM 1183 C HIS A 73 99.080 5.129 -11.323 1.00 0.00 C ATOM 1184 O HIS A 73 100.018 4.855 -10.602 1.00 0.00 O ATOM 1185 CB HIS A 73 97.571 3.769 -12.829 1.00 0.00 C ATOM 1186 CG HIS A 73 97.227 3.006 -11.575 1.00 0.00 C ATOM 1187 ND1 HIS A 73 98.032 1.997 -11.065 1.00 0.00 N ATOM 1188 CD2 HIS A 73 96.137 3.069 -10.742 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.414 1.498 -9.974 1.00 0.00 C ATOM 1190 NE2 HIS A 73 96.256 2.116 -9.735 1.00 0.00 N ATOM 0 H HIS A 73 99.748 2.565 -13.186 1.00 0.00 H new ATOM 0 HA HIS A 73 98.974 5.255 -13.461 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.793 4.505 -13.034 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.595 3.085 -13.678 1.00 0.00 H new ATOM 0 HD2 HIS A 73 95.311 3.756 -10.852 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.809 0.696 -9.368 1.00 0.00 H new ATOM 0 HE2 HIS A 73 95.599 1.930 -8.977 1.00 0.00 H new ATOM 1198 N ARG A 74 98.189 6.008 -10.960 1.00 0.00 N ATOM 1199 CA ARG A 74 98.318 6.683 -9.637 1.00 0.00 C ATOM 1200 C ARG A 74 97.343 6.066 -8.638 1.00 0.00 C ATOM 1201 O ARG A 74 96.281 5.597 -8.998 1.00 0.00 O ATOM 1202 CB ARG A 74 98.013 8.174 -9.793 1.00 0.00 C ATOM 1203 CG ARG A 74 99.279 8.904 -10.243 1.00 0.00 C ATOM 1204 CD ARG A 74 98.989 10.401 -10.370 1.00 0.00 C ATOM 1205 NE ARG A 74 99.846 10.987 -11.439 1.00 0.00 N ATOM 1206 CZ ARG A 74 101.077 10.579 -11.586 1.00 0.00 C ATOM 1207 NH1 ARG A 74 101.336 9.544 -12.338 1.00 0.00 N ATOM 1208 NH2 ARG A 74 102.049 11.204 -10.980 1.00 0.00 N ATOM 0 H ARG A 74 97.382 6.288 -11.517 1.00 0.00 H new ATOM 0 HA ARG A 74 99.336 6.554 -9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 74 97.216 8.320 -10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.659 8.585 -8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 74 100.082 8.738 -9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 74 99.620 8.507 -11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 74 97.937 10.559 -10.606 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.181 10.901 -9.421 1.00 0.00 H new ATOM 0 HE ARG A 74 99.470 11.707 -12.056 1.00 0.00 H new ATOM 0 HH11 ARG A 74 100.576 9.054 -12.811 1.00 0.00 H new ATOM 0 HH12 ARG A 74 102.298 9.225 -12.453 1.00 0.00 H new ATOM 0 HH21 ARG A 74 101.847 12.012 -10.391 1.00 0.00 H new ATOM 0 HH22 ARG A 74 103.011 10.885 -11.095 1.00 0.00 H new ATOM 1222 N HIS A 75 97.699 6.060 -7.383 1.00 0.00 N ATOM 1223 CA HIS A 75 96.796 5.471 -6.355 1.00 0.00 C ATOM 1224 C HIS A 75 96.997 6.203 -5.031 1.00 0.00 C ATOM 1225 O HIS A 75 98.108 6.495 -4.636 1.00 0.00 O ATOM 1226 CB HIS A 75 97.120 3.987 -6.135 1.00 0.00 C ATOM 1227 CG HIS A 75 98.275 3.560 -7.000 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.196 3.519 -8.380 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.543 3.150 -6.686 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.386 3.093 -8.840 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.242 2.855 -7.847 1.00 0.00 N ATOM 0 H HIS A 75 98.576 6.438 -7.025 1.00 0.00 H new ATOM 0 HA HIS A 75 95.768 5.571 -6.703 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.361 3.814 -5.086 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.244 3.381 -6.365 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.384 3.766 -8.946 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.939 3.069 -5.685 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.619 2.960 -9.886 1.00 0.00 H new ATOM 1239 N ARG A 76 95.937 6.480 -4.329 1.00 0.00 N ATOM 1240 CA ARG A 76 96.087 7.167 -3.020 1.00 0.00 C ATOM 1241 C ARG A 76 96.713 6.176 -2.038 1.00 0.00 C ATOM 1242 O ARG A 76 96.499 4.985 -2.132 1.00 0.00 O ATOM 1243 CB ARG A 76 94.712 7.604 -2.507 1.00 0.00 C ATOM 1244 CG ARG A 76 94.733 9.104 -2.209 1.00 0.00 C ATOM 1245 CD ARG A 76 93.458 9.492 -1.456 1.00 0.00 C ATOM 1246 NE ARG A 76 92.278 9.283 -2.342 1.00 0.00 N ATOM 1247 CZ ARG A 76 92.335 9.633 -3.597 1.00 0.00 C ATOM 1248 NH1 ARG A 76 92.910 10.756 -3.935 1.00 0.00 N ATOM 1249 NH2 ARG A 76 91.819 8.861 -4.513 1.00 0.00 N ATOM 0 H ARG A 76 94.979 6.262 -4.603 1.00 0.00 H new ATOM 0 HA ARG A 76 96.718 8.050 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.947 7.381 -3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.454 7.047 -1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.611 9.355 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.806 9.669 -3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.359 8.891 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.511 10.534 -1.142 1.00 0.00 H new ATOM 0 HE ARG A 76 91.426 8.866 -1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 76 93.314 11.358 -3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 76 92.955 11.031 -4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 76 91.371 7.984 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 76 91.863 9.134 -5.495 1.00 0.00 H new ATOM 1263 N VAL A 77 97.488 6.643 -1.101 1.00 0.00 N ATOM 1264 CA VAL A 77 98.117 5.697 -0.138 1.00 0.00 C ATOM 1265 C VAL A 77 97.023 4.877 0.555 1.00 0.00 C ATOM 1266 O VAL A 77 97.289 3.849 1.144 1.00 0.00 O ATOM 1267 CB VAL A 77 98.944 6.481 0.888 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.122 5.658 2.169 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.318 6.775 0.283 1.00 0.00 C ATOM 0 H VAL A 77 97.712 7.628 -0.960 1.00 0.00 H new ATOM 0 HA VAL A 77 98.782 5.015 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 77 98.429 7.409 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.711 6.227 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.145 5.434 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.637 4.727 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.920 7.333 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.818 5.837 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.197 7.365 -0.625 1.00 0.00 H new ATOM 1279 N SER A 78 95.794 5.311 0.478 1.00 0.00 N ATOM 1280 CA SER A 78 94.695 4.536 1.117 1.00 0.00 C ATOM 1281 C SER A 78 94.366 3.331 0.233 1.00 0.00 C ATOM 1282 O SER A 78 94.101 2.248 0.714 1.00 0.00 O ATOM 1283 CB SER A 78 93.457 5.422 1.262 1.00 0.00 C ATOM 1284 OG SER A 78 92.694 5.361 0.064 1.00 0.00 O ATOM 0 H SER A 78 95.505 6.166 0.002 1.00 0.00 H new ATOM 0 HA SER A 78 95.005 4.197 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.855 5.090 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.754 6.451 1.466 1.00 0.00 H new ATOM 0 HG SER A 78 91.899 5.926 0.154 1.00 0.00 H new ATOM 1290 N ALA A 79 94.393 3.513 -1.062 1.00 0.00 N ATOM 1291 CA ALA A 79 94.094 2.380 -1.984 1.00 0.00 C ATOM 1292 C ALA A 79 95.219 1.347 -1.885 1.00 0.00 C ATOM 1293 O ALA A 79 94.990 0.192 -1.591 1.00 0.00 O ATOM 1294 CB ALA A 79 94.005 2.901 -3.421 1.00 0.00 C ATOM 0 H ALA A 79 94.609 4.398 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 79 93.145 1.920 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.786 2.073 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.211 3.644 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.954 3.357 -3.702 1.00 0.00 H new ATOM 1300 N ILE A 80 96.435 1.760 -2.115 1.00 0.00 N ATOM 1301 CA ILE A 80 97.576 0.809 -2.018 1.00 0.00 C ATOM 1302 C ILE A 80 97.587 0.218 -0.611 1.00 0.00 C ATOM 1303 O ILE A 80 97.778 -0.967 -0.420 1.00 0.00 O ATOM 1304 CB ILE A 80 98.886 1.558 -2.269 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.951 1.994 -3.740 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.071 0.645 -1.936 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.430 0.834 -4.619 1.00 0.00 C ATOM 0 H ILE A 80 96.687 2.716 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 80 97.472 0.016 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 80 98.931 2.442 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.968 2.328 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.628 2.842 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.004 1.180 -2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.018 0.348 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 80 100.035 -0.243 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.471 1.158 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.423 0.520 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.737 -0.002 -4.527 1.00 0.00 H new ATOM 1319 N ASN A 81 97.365 1.040 0.379 1.00 0.00 N ATOM 1320 CA ASN A 81 97.342 0.536 1.778 1.00 0.00 C ATOM 1321 C ASN A 81 96.312 -0.586 1.870 1.00 0.00 C ATOM 1322 O ASN A 81 96.457 -1.519 2.632 1.00 0.00 O ATOM 1323 CB ASN A 81 96.945 1.670 2.726 1.00 0.00 C ATOM 1324 CG ASN A 81 96.715 1.106 4.129 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.649 0.929 4.886 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.501 0.810 4.509 1.00 0.00 N ATOM 0 H ASN A 81 97.198 2.041 0.277 1.00 0.00 H new ATOM 0 HA ASN A 81 98.328 0.166 2.058 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.728 2.428 2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.040 2.159 2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.337 0.430 5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.717 0.959 3.873 1.00 0.00 H new ATOM 1333 N ASN A 82 95.272 -0.499 1.088 1.00 0.00 N ATOM 1334 CA ASN A 82 94.226 -1.558 1.115 1.00 0.00 C ATOM 1335 C ASN A 82 94.852 -2.891 0.707 1.00 0.00 C ATOM 1336 O ASN A 82 94.591 -3.916 1.306 1.00 0.00 O ATOM 1337 CB ASN A 82 93.108 -1.196 0.134 1.00 0.00 C ATOM 1338 CG ASN A 82 91.754 -1.348 0.828 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.651 -1.990 1.854 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.700 -0.779 0.307 1.00 0.00 N ATOM 0 H ASN A 82 95.102 0.262 0.430 1.00 0.00 H new ATOM 0 HA ASN A 82 93.812 -1.640 2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.236 -0.172 -0.218 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.155 -1.843 -0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.792 -0.874 0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.785 -0.240 -0.555 1.00 0.00 H new ATOM 1347 N TYR A 83 95.682 -2.892 -0.304 1.00 0.00 N ATOM 1348 CA TYR A 83 96.317 -4.171 -0.729 1.00 0.00 C ATOM 1349 C TYR A 83 97.361 -4.587 0.308 1.00 0.00 C ATOM 1350 O TYR A 83 97.267 -5.637 0.911 1.00 0.00 O ATOM 1351 CB TYR A 83 96.998 -4.005 -2.090 1.00 0.00 C ATOM 1352 CG TYR A 83 97.704 -5.296 -2.434 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.085 -6.518 -2.151 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.977 -5.276 -3.018 1.00 0.00 C ATOM 1355 CE1 TYR A 83 97.734 -7.718 -2.453 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.626 -6.478 -3.316 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.004 -7.698 -3.034 1.00 0.00 C ATOM 1358 OH TYR A 83 99.646 -8.882 -3.327 1.00 0.00 O ATOM 0 H TYR A 83 95.945 -2.070 -0.848 1.00 0.00 H new ATOM 0 HA TYR A 83 95.545 -4.936 -0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.261 -3.761 -2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.710 -3.180 -2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.104 -6.534 -1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.456 -4.334 -3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 83 97.254 -8.661 -2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.608 -6.464 -3.764 1.00 0.00 H new ATOM 0 HH TYR A 83 98.991 -9.611 -3.357 1.00 0.00 H new ATOM 1368 N ALA A 84 98.359 -3.772 0.521 1.00 0.00 N ATOM 1369 CA ALA A 84 99.406 -4.124 1.519 1.00 0.00 C ATOM 1370 C ALA A 84 98.736 -4.521 2.836 1.00 0.00 C ATOM 1371 O ALA A 84 99.301 -5.234 3.641 1.00 0.00 O ATOM 1372 CB ALA A 84 100.315 -2.916 1.754 1.00 0.00 C ATOM 0 H ALA A 84 98.493 -2.879 0.047 1.00 0.00 H new ATOM 0 HA ALA A 84 100.001 -4.957 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.081 -3.174 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.790 -2.630 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.722 -2.082 2.129 1.00 0.00 H new ATOM 1378 N GLN A 85 97.533 -4.067 3.060 1.00 0.00 N ATOM 1379 CA GLN A 85 96.826 -4.419 4.322 1.00 0.00 C ATOM 1380 C GLN A 85 96.320 -5.860 4.232 1.00 0.00 C ATOM 1381 O GLN A 85 96.410 -6.618 5.178 1.00 0.00 O ATOM 1382 CB GLN A 85 95.640 -3.471 4.525 1.00 0.00 C ATOM 1383 CG GLN A 85 94.998 -3.737 5.889 1.00 0.00 C ATOM 1384 CD GLN A 85 95.933 -3.251 6.998 1.00 0.00 C ATOM 1385 OE1 GLN A 85 95.905 -2.093 7.367 1.00 0.00 O ATOM 1386 NE2 GLN A 85 96.765 -4.091 7.550 1.00 0.00 N ATOM 0 H GLN A 85 97.010 -3.467 2.422 1.00 0.00 H new ATOM 0 HA GLN A 85 97.512 -4.325 5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.975 -2.435 4.465 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.906 -3.615 3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.039 -3.224 5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 85 94.799 -4.802 6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 85 96.789 -5.063 7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.391 -3.776 8.291 1.00 0.00 H new ATOM 1395 N LYS A 86 95.801 -6.248 3.099 1.00 0.00 N ATOM 1396 CA LYS A 86 95.305 -7.643 2.952 1.00 0.00 C ATOM 1397 C LYS A 86 96.496 -8.597 3.031 1.00 0.00 C ATOM 1398 O LYS A 86 96.346 -9.786 3.228 1.00 0.00 O ATOM 1399 CB LYS A 86 94.614 -7.800 1.595 1.00 0.00 C ATOM 1400 CG LYS A 86 93.100 -7.655 1.771 1.00 0.00 C ATOM 1401 CD LYS A 86 92.424 -7.641 0.398 1.00 0.00 C ATOM 1402 CE LYS A 86 91.987 -9.061 0.030 1.00 0.00 C ATOM 1403 NZ LYS A 86 92.558 -9.429 -1.296 1.00 0.00 N ATOM 0 H LYS A 86 95.700 -5.660 2.272 1.00 0.00 H new ATOM 0 HA LYS A 86 94.592 -7.870 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.983 -7.048 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.849 -8.774 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.713 -8.479 2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.872 -6.735 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.561 -6.976 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.112 -7.254 -0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.324 -9.765 0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.899 -9.121 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 92.261 -10.394 -1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.216 -8.763 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 93.596 -9.387 -1.251 1.00 0.00 H new ATOM 1417 N LEU A 87 97.682 -8.074 2.881 1.00 0.00 N ATOM 1418 CA LEU A 87 98.894 -8.932 2.949 1.00 0.00 C ATOM 1419 C LEU A 87 99.425 -8.943 4.383 1.00 0.00 C ATOM 1420 O LEU A 87 100.616 -8.891 4.616 1.00 0.00 O ATOM 1421 CB LEU A 87 99.960 -8.366 2.008 1.00 0.00 C ATOM 1422 CG LEU A 87 99.393 -8.290 0.590 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.832 -6.982 -0.075 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.913 -9.476 -0.220 1.00 0.00 C ATOM 0 H LEU A 87 97.862 -7.084 2.714 1.00 0.00 H new ATOM 0 HA LEU A 87 98.647 -9.950 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.268 -7.375 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.848 -8.998 2.024 1.00 0.00 H new ATOM 0 HG LEU A 87 98.304 -8.320 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.425 -6.933 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.463 -6.137 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.920 -6.944 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.513 -9.428 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 87 101.002 -9.441 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.596 -10.406 0.252 1.00 0.00 H new ATOM 1436 N CYS A 88 98.547 -9.006 5.347 1.00 0.00 N ATOM 1437 CA CYS A 88 98.997 -9.017 6.767 1.00 0.00 C ATOM 1438 C CYS A 88 98.398 -10.228 7.486 1.00 0.00 C ATOM 1439 O CYS A 88 98.215 -10.220 8.686 1.00 0.00 O ATOM 1440 CB CYS A 88 98.531 -7.734 7.458 1.00 0.00 C ATOM 1441 SG CYS A 88 99.253 -7.643 9.115 1.00 0.00 S ATOM 0 H CYS A 88 97.537 -9.050 5.212 1.00 0.00 H new ATOM 0 HA CYS A 88 100.085 -9.077 6.802 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.828 -6.864 6.872 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.443 -7.718 7.523 1.00 0.00 H new ATOM 0 HG CYS A 88 99.995 -8.690 9.323 1.00 0.00 H new ATOM 1447 N THR A 89 98.093 -11.270 6.761 1.00 0.00 N ATOM 1448 CA THR A 89 97.508 -12.481 7.406 1.00 0.00 C ATOM 1449 C THR A 89 98.636 -13.435 7.801 1.00 0.00 C ATOM 1450 O THR A 89 98.502 -14.640 7.720 1.00 0.00 O ATOM 1451 CB THR A 89 96.570 -13.182 6.420 1.00 0.00 C ATOM 1452 OG1 THR A 89 97.088 -13.053 5.103 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.183 -12.542 6.490 1.00 0.00 C ATOM 0 H THR A 89 98.223 -11.335 5.751 1.00 0.00 H new ATOM 0 HA THR A 89 96.947 -12.188 8.294 1.00 0.00 H new ATOM 0 HB THR A 89 96.493 -14.238 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 89 98.040 -13.287 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.516 -13.042 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.787 -12.642 7.501 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.256 -11.486 6.232 1.00 0.00 H new ATOM 1461 N PHE A 90 99.749 -12.903 8.224 1.00 0.00 N ATOM 1462 CA PHE A 90 100.893 -13.776 8.621 1.00 0.00 C ATOM 1463 C PHE A 90 101.680 -13.095 9.743 1.00 0.00 C ATOM 1464 O PHE A 90 101.985 -13.696 10.754 1.00 0.00 O ATOM 1465 CB PHE A 90 101.822 -14.018 7.418 1.00 0.00 C ATOM 1466 CG PHE A 90 101.446 -13.108 6.267 1.00 0.00 C ATOM 1467 CD1 PHE A 90 100.281 -13.354 5.532 1.00 0.00 C ATOM 1468 CD2 PHE A 90 102.262 -12.018 5.940 1.00 0.00 C ATOM 1469 CE1 PHE A 90 99.931 -12.511 4.470 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.912 -11.175 4.877 1.00 0.00 C ATOM 1471 CZ PHE A 90 100.748 -11.422 4.143 1.00 0.00 C ATOM 0 H PHE A 90 99.917 -11.901 8.313 1.00 0.00 H new ATOM 0 HA PHE A 90 100.507 -14.735 8.967 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.857 -13.838 7.708 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.755 -15.059 7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.651 -14.195 5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 90 103.161 -11.827 6.507 1.00 0.00 H new ATOM 0 HE1 PHE A 90 99.031 -12.701 3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.541 -10.334 4.625 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.479 -10.772 3.323 1.00 0.00 H new ATOM 1481 N SER A 91 102.007 -11.844 9.572 1.00 0.00 N ATOM 1482 CA SER A 91 102.769 -11.120 10.628 1.00 0.00 C ATOM 1483 C SER A 91 102.289 -9.669 10.689 1.00 0.00 C ATOM 1484 O SER A 91 101.194 -9.351 10.269 1.00 0.00 O ATOM 1485 CB SER A 91 104.260 -11.150 10.292 1.00 0.00 C ATOM 1486 OG SER A 91 104.555 -12.339 9.570 1.00 0.00 O ATOM 0 H SER A 91 101.779 -11.291 8.746 1.00 0.00 H new ATOM 0 HA SER A 91 102.606 -11.601 11.593 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.529 -10.275 9.700 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.852 -11.110 11.207 1.00 0.00 H new ATOM 0 HG SER A 91 105.510 -12.361 9.352 1.00 0.00 H new ATOM 1492 N PHE A 92 103.096 -8.783 11.207 1.00 0.00 N ATOM 1493 CA PHE A 92 102.675 -7.356 11.285 1.00 0.00 C ATOM 1494 C PHE A 92 102.793 -6.717 9.898 1.00 0.00 C ATOM 1495 O PHE A 92 103.211 -7.350 8.948 1.00 0.00 O ATOM 1496 CB PHE A 92 103.562 -6.609 12.292 1.00 0.00 C ATOM 1497 CG PHE A 92 104.876 -6.219 11.648 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.913 -7.153 11.547 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.057 -4.919 11.157 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.127 -6.790 10.956 1.00 0.00 C ATOM 1501 CE2 PHE A 92 106.271 -4.557 10.566 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.307 -5.491 10.465 1.00 0.00 C ATOM 0 H PHE A 92 104.025 -8.985 11.578 1.00 0.00 H new ATOM 0 HA PHE A 92 101.639 -7.296 11.619 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.046 -5.718 12.650 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.748 -7.240 13.161 1.00 0.00 H new ATOM 0 HD1 PHE A 92 105.776 -8.155 11.926 1.00 0.00 H new ATOM 0 HD2 PHE A 92 104.258 -4.196 11.235 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.926 -7.512 10.878 1.00 0.00 H new ATOM 0 HE2 PHE A 92 106.409 -3.555 10.187 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.245 -5.211 10.009 1.00 0.00 H new ATOM 1512 N LEU A 93 102.427 -5.471 9.770 1.00 0.00 N ATOM 1513 CA LEU A 93 102.521 -4.805 8.440 1.00 0.00 C ATOM 1514 C LEU A 93 102.516 -3.286 8.621 1.00 0.00 C ATOM 1515 O LEU A 93 101.617 -2.724 9.213 1.00 0.00 O ATOM 1516 CB LEU A 93 101.327 -5.223 7.579 1.00 0.00 C ATOM 1517 CG LEU A 93 101.282 -4.365 6.313 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.506 -5.250 5.085 1.00 0.00 C ATOM 1519 CD2 LEU A 93 99.914 -3.688 6.207 1.00 0.00 C ATOM 0 H LEU A 93 102.068 -4.887 10.526 1.00 0.00 H new ATOM 0 HA LEU A 93 103.448 -5.104 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.408 -6.277 7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.401 -5.107 8.142 1.00 0.00 H new ATOM 0 HG LEU A 93 102.064 -3.607 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.474 -4.637 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.479 -5.735 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.725 -6.009 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.880 -3.076 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.134 -4.448 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.752 -3.057 7.081 1.00 0.00 H new ATOM 1531 N ILE A 94 103.512 -2.617 8.108 1.00 0.00 N ATOM 1532 CA ILE A 94 103.564 -1.133 8.244 1.00 0.00 C ATOM 1533 C ILE A 94 103.843 -0.513 6.873 1.00 0.00 C ATOM 1534 O ILE A 94 104.951 -0.112 6.576 1.00 0.00 O ATOM 1535 CB ILE A 94 104.676 -0.746 9.219 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.323 -1.256 10.619 1.00 0.00 C ATOM 1537 CG2 ILE A 94 104.818 0.776 9.255 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.598 -1.698 11.339 1.00 0.00 C ATOM 0 H ILE A 94 104.292 -3.034 7.600 1.00 0.00 H new ATOM 0 HA ILE A 94 102.611 -0.766 8.625 1.00 0.00 H new ATOM 0 HB ILE A 94 105.616 -1.191 8.893 1.00 0.00 H new ATOM 0 HG12 ILE A 94 103.825 -0.471 11.188 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.625 -2.090 10.548 1.00 0.00 H new ATOM 0 HG21 ILE A 94 105.611 1.051 9.950 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.066 1.142 8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.878 1.221 9.582 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.346 -2.061 12.335 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.078 -2.496 10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.280 -0.852 11.423 1.00 0.00 H new ATOM 1550 N CYS A 95 102.846 -0.437 6.034 1.00 0.00 N ATOM 1551 CA CYS A 95 103.053 0.152 4.680 1.00 0.00 C ATOM 1552 C CYS A 95 102.817 1.664 4.737 1.00 0.00 C ATOM 1553 O CYS A 95 101.977 2.144 5.471 1.00 0.00 O ATOM 1554 CB CYS A 95 102.068 -0.480 3.696 1.00 0.00 C ATOM 1555 SG CYS A 95 102.224 0.327 2.083 1.00 0.00 S ATOM 0 H CYS A 95 101.897 -0.757 6.227 1.00 0.00 H new ATOM 0 HA CYS A 95 104.074 -0.043 4.351 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.267 -1.548 3.601 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.049 -0.377 4.069 1.00 0.00 H new ATOM 0 HG CYS A 95 101.388 -0.212 1.246 1.00 0.00 H new ATOM 1561 N LYS A 96 103.555 2.418 3.965 1.00 0.00 N ATOM 1562 CA LYS A 96 103.375 3.898 3.972 1.00 0.00 C ATOM 1563 C LYS A 96 103.850 4.474 2.636 1.00 0.00 C ATOM 1564 O LYS A 96 104.915 4.145 2.153 1.00 0.00 O ATOM 1565 CB LYS A 96 104.201 4.504 5.109 1.00 0.00 C ATOM 1566 CG LYS A 96 103.422 4.402 6.422 1.00 0.00 C ATOM 1567 CD LYS A 96 104.257 4.999 7.556 1.00 0.00 C ATOM 1568 CE LYS A 96 103.330 5.492 8.668 1.00 0.00 C ATOM 1569 NZ LYS A 96 103.727 6.870 9.071 1.00 0.00 N ATOM 0 H LYS A 96 104.274 2.072 3.330 1.00 0.00 H new ATOM 0 HA LYS A 96 102.322 4.137 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 96 105.153 3.981 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.429 5.547 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.473 4.932 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 96 103.187 3.360 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 96 104.946 4.250 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 96 104.863 5.824 7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 96 102.296 5.486 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 96 103.384 4.821 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 103.805 6.920 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 104.645 7.106 8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.009 7.548 8.745 1.00 0.00 H new ATOM 1583 N GLY A 97 103.072 5.333 2.032 1.00 0.00 N ATOM 1584 CA GLY A 97 103.488 5.926 0.728 1.00 0.00 C ATOM 1585 C GLY A 97 104.748 6.770 0.931 1.00 0.00 C ATOM 1586 O GLY A 97 105.200 6.968 2.041 1.00 0.00 O ATOM 0 H GLY A 97 102.168 5.649 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.679 5.136 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.685 6.543 0.324 1.00 0.00 H new ATOM 1590 N VAL A 98 105.321 7.265 -0.133 1.00 0.00 N ATOM 1591 CA VAL A 98 106.553 8.091 0.009 1.00 0.00 C ATOM 1592 C VAL A 98 106.566 9.188 -1.060 1.00 0.00 C ATOM 1593 O VAL A 98 105.986 9.047 -2.117 1.00 0.00 O ATOM 1594 CB VAL A 98 107.784 7.202 -0.165 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.035 8.076 -0.259 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.909 6.264 1.038 1.00 0.00 C ATOM 0 H VAL A 98 104.991 7.134 -1.089 1.00 0.00 H new ATOM 0 HA VAL A 98 106.567 8.549 0.998 1.00 0.00 H new ATOM 0 HB VAL A 98 107.681 6.614 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.913 7.442 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 98 108.947 8.746 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.138 8.664 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.787 5.629 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.012 6.853 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.018 5.641 1.108 1.00 0.00 H new ATOM 1606 N ASN A 99 107.231 10.279 -0.790 1.00 0.00 N ATOM 1607 CA ASN A 99 107.289 11.384 -1.787 1.00 0.00 C ATOM 1608 C ASN A 99 108.696 11.447 -2.387 1.00 0.00 C ATOM 1609 O ASN A 99 108.870 11.701 -3.562 1.00 0.00 O ATOM 1610 CB ASN A 99 106.968 12.712 -1.098 1.00 0.00 C ATOM 1611 CG ASN A 99 105.497 13.062 -1.328 1.00 0.00 C ATOM 1612 OD1 ASN A 99 105.132 13.545 -2.381 1.00 0.00 O ATOM 1613 ND2 ASN A 99 104.630 12.838 -0.378 1.00 0.00 N ATOM 0 H ASN A 99 107.737 10.452 0.079 1.00 0.00 H new ATOM 0 HA ASN A 99 106.561 11.202 -2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.173 12.639 -0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.607 13.502 -1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 99 103.647 13.069 -0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 99 104.936 12.432 0.506 1.00 0.00 H new ATOM 1620 N LYS A 100 109.701 11.216 -1.588 1.00 0.00 N ATOM 1621 CA LYS A 100 111.096 11.258 -2.109 1.00 0.00 C ATOM 1622 C LYS A 100 111.609 9.829 -2.299 1.00 0.00 C ATOM 1623 O LYS A 100 112.393 9.331 -1.513 1.00 0.00 O ATOM 1624 CB LYS A 100 111.993 11.995 -1.111 1.00 0.00 C ATOM 1625 CG LYS A 100 112.563 13.256 -1.767 1.00 0.00 C ATOM 1626 CD LYS A 100 112.393 14.445 -0.820 1.00 0.00 C ATOM 1627 CE LYS A 100 111.030 15.098 -1.059 1.00 0.00 C ATOM 1628 NZ LYS A 100 111.133 16.566 -0.823 1.00 0.00 N ATOM 0 H LYS A 100 109.616 11.000 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 100 111.113 11.782 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.422 12.262 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.804 11.344 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.618 13.112 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.051 13.452 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 100 112.472 14.113 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.189 15.171 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 100 110.697 14.906 -2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 100 110.285 14.663 -0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 110.206 17.010 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 111.433 16.740 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 111.832 16.974 -1.476 1.00 0.00 H new ATOM 1642 N GLU A 101 111.171 9.163 -3.332 1.00 0.00 N ATOM 1643 CA GLU A 101 111.631 7.766 -3.568 1.00 0.00 C ATOM 1644 C GLU A 101 113.137 7.755 -3.819 1.00 0.00 C ATOM 1645 O GLU A 101 113.894 7.211 -3.044 1.00 0.00 O ATOM 1646 CB GLU A 101 110.923 7.186 -4.792 1.00 0.00 C ATOM 1647 CG GLU A 101 111.133 5.671 -4.826 1.00 0.00 C ATOM 1648 CD GLU A 101 110.178 4.999 -3.839 1.00 0.00 C ATOM 1649 OE1 GLU A 101 109.917 5.589 -2.804 1.00 0.00 O ATOM 1650 OE2 GLU A 101 109.723 3.906 -4.135 1.00 0.00 O ATOM 0 H GLU A 101 110.514 9.526 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 101 111.397 7.165 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 101 109.858 7.416 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.315 7.640 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 101 110.958 5.292 -5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 101 112.165 5.431 -4.570 1.00 0.00 H new ATOM 1657 N TYR A 102 113.563 8.342 -4.906 1.00 0.00 N ATOM 1658 CA TYR A 102 115.020 8.374 -5.247 1.00 0.00 C ATOM 1659 C TYR A 102 115.874 8.424 -3.979 1.00 0.00 C ATOM 1660 O TYR A 102 116.746 7.603 -3.773 1.00 0.00 O ATOM 1661 CB TYR A 102 115.313 9.620 -6.088 1.00 0.00 C ATOM 1662 CG TYR A 102 116.794 9.696 -6.378 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.702 10.025 -5.358 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.261 9.436 -7.669 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.073 10.090 -5.638 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.628 9.501 -7.947 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.536 9.828 -6.932 1.00 0.00 C ATOM 1668 OH TYR A 102 120.887 9.892 -7.208 1.00 0.00 O ATOM 0 H TYR A 102 112.957 8.807 -5.582 1.00 0.00 H new ATOM 0 HA TYR A 102 115.265 7.470 -5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.750 9.583 -7.021 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.989 10.515 -5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.344 10.228 -4.360 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.563 9.184 -8.454 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.773 10.342 -4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.985 9.299 -8.946 1.00 0.00 H new ATOM 0 HH TYR A 102 121.038 9.682 -8.153 1.00 0.00 H new ATOM 1678 N LEU A 103 115.647 9.392 -3.138 1.00 0.00 N ATOM 1679 CA LEU A 103 116.461 9.505 -1.898 1.00 0.00 C ATOM 1680 C LEU A 103 116.331 8.236 -1.054 1.00 0.00 C ATOM 1681 O LEU A 103 117.280 7.500 -0.882 1.00 0.00 O ATOM 1682 CB LEU A 103 115.975 10.703 -1.084 1.00 0.00 C ATOM 1683 CG LEU A 103 117.107 11.720 -0.933 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.735 12.738 0.143 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.397 11.000 -0.533 1.00 0.00 C ATOM 0 H LEU A 103 114.932 10.110 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 103 117.507 9.639 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 103 115.121 11.167 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.636 10.374 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 103 117.261 12.233 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.541 13.464 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.819 13.254 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.579 12.224 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 103 119.202 11.728 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 103 118.247 10.484 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.663 10.275 -1.303 1.00 0.00 H new ATOM 1697 N MET A 104 115.167 7.991 -0.512 1.00 0.00 N ATOM 1698 CA MET A 104 114.967 6.781 0.343 1.00 0.00 C ATOM 1699 C MET A 104 115.748 5.591 -0.224 1.00 0.00 C ATOM 1700 O MET A 104 116.319 4.808 0.508 1.00 0.00 O ATOM 1701 CB MET A 104 113.478 6.440 0.390 1.00 0.00 C ATOM 1702 CG MET A 104 113.288 5.060 1.021 1.00 0.00 C ATOM 1703 SD MET A 104 111.645 4.964 1.776 1.00 0.00 S ATOM 1704 CE MET A 104 112.017 3.650 2.963 1.00 0.00 C ATOM 0 H MET A 104 114.341 8.579 -0.625 1.00 0.00 H new ATOM 0 HA MET A 104 115.332 6.991 1.348 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.940 7.192 0.967 1.00 0.00 H new ATOM 0 HB3 MET A 104 113.060 6.452 -0.617 1.00 0.00 H new ATOM 0 HG2 MET A 104 113.398 4.284 0.264 1.00 0.00 H new ATOM 0 HG3 MET A 104 114.057 4.883 1.773 1.00 0.00 H new ATOM 0 HE1 MET A 104 111.445 2.758 2.709 1.00 0.00 H new ATOM 0 HE2 MET A 104 113.082 3.420 2.930 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.748 3.980 3.967 1.00 0.00 H new ATOM 1714 N TYR A 105 115.784 5.450 -1.519 1.00 0.00 N ATOM 1715 CA TYR A 105 116.530 4.314 -2.124 1.00 0.00 C ATOM 1716 C TYR A 105 118.021 4.467 -1.817 1.00 0.00 C ATOM 1717 O TYR A 105 118.661 3.554 -1.335 1.00 0.00 O ATOM 1718 CB TYR A 105 116.315 4.313 -3.637 1.00 0.00 C ATOM 1719 CG TYR A 105 117.217 3.286 -4.276 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.834 1.941 -4.311 1.00 0.00 C ATOM 1721 CD2 TYR A 105 118.440 3.680 -4.835 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.670 0.989 -4.903 1.00 0.00 C ATOM 1723 CE2 TYR A 105 119.277 2.728 -5.427 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.892 1.383 -5.462 1.00 0.00 C ATOM 1725 OH TYR A 105 119.718 0.444 -6.049 1.00 0.00 O ATOM 0 H TYR A 105 115.328 6.074 -2.185 1.00 0.00 H new ATOM 0 HA TYR A 105 116.168 3.374 -1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.273 4.089 -3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.526 5.301 -4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.891 1.637 -3.880 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.736 4.718 -4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.373 -0.049 -4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 105 120.220 3.031 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 105 120.461 0.898 -6.499 1.00 0.00 H new ATOM 1735 N SER A 106 118.580 5.617 -2.085 1.00 0.00 N ATOM 1736 CA SER A 106 120.027 5.820 -1.796 1.00 0.00 C ATOM 1737 C SER A 106 120.275 5.575 -0.309 1.00 0.00 C ATOM 1738 O SER A 106 121.056 4.723 0.070 1.00 0.00 O ATOM 1739 CB SER A 106 120.426 7.254 -2.150 1.00 0.00 C ATOM 1740 OG SER A 106 121.841 7.373 -2.100 1.00 0.00 O ATOM 0 H SER A 106 118.099 6.420 -2.490 1.00 0.00 H new ATOM 0 HA SER A 106 120.621 5.126 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.063 7.510 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.966 7.954 -1.453 1.00 0.00 H new ATOM 0 HG SER A 106 122.100 8.290 -2.328 1.00 0.00 H new ATOM 1746 N ALA A 107 119.609 6.309 0.539 1.00 0.00 N ATOM 1747 CA ALA A 107 119.795 6.116 2.002 1.00 0.00 C ATOM 1748 C ALA A 107 119.465 4.665 2.364 1.00 0.00 C ATOM 1749 O ALA A 107 119.821 4.182 3.420 1.00 0.00 O ATOM 1750 CB ALA A 107 118.861 7.060 2.765 1.00 0.00 C ATOM 0 H ALA A 107 118.942 7.036 0.280 1.00 0.00 H new ATOM 0 HA ALA A 107 120.828 6.335 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.997 6.919 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 107 119.093 8.092 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.827 6.842 2.499 1.00 0.00 H new ATOM 1756 N LEU A 108 118.786 3.968 1.492 1.00 0.00 N ATOM 1757 CA LEU A 108 118.432 2.549 1.783 1.00 0.00 C ATOM 1758 C LEU A 108 119.612 1.641 1.430 1.00 0.00 C ATOM 1759 O LEU A 108 119.837 0.626 2.059 1.00 0.00 O ATOM 1760 CB LEU A 108 117.217 2.144 0.945 1.00 0.00 C ATOM 1761 CG LEU A 108 115.937 2.338 1.759 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.742 1.803 0.969 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.053 1.576 3.082 1.00 0.00 C ATOM 0 H LEU A 108 118.462 4.320 0.591 1.00 0.00 H new ATOM 0 HA LEU A 108 118.198 2.447 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.175 2.744 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.308 1.103 0.636 1.00 0.00 H new ATOM 0 HG LEU A 108 115.794 3.400 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.830 1.942 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.657 2.344 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.885 0.742 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.141 1.714 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.197 0.515 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.904 1.956 3.647 1.00 0.00 H new ATOM 1775 N THR A 109 120.365 1.995 0.424 1.00 0.00 N ATOM 1776 CA THR A 109 121.525 1.149 0.029 1.00 0.00 C ATOM 1777 C THR A 109 122.703 1.426 0.963 1.00 0.00 C ATOM 1778 O THR A 109 123.575 0.600 1.142 1.00 0.00 O ATOM 1779 CB THR A 109 121.928 1.476 -1.411 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.442 2.799 -1.467 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.707 1.362 -2.325 1.00 0.00 C ATOM 0 H THR A 109 120.226 2.833 -0.141 1.00 0.00 H new ATOM 0 HA THR A 109 121.247 0.097 0.099 1.00 0.00 H new ATOM 0 HB THR A 109 122.692 0.773 -1.743 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.904 3.383 -0.893 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.996 1.595 -3.350 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.313 0.346 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.940 2.063 -1.996 1.00 0.00 H new ATOM 1789 N ARG A 110 122.735 2.584 1.563 1.00 0.00 N ATOM 1790 CA ARG A 110 123.858 2.910 2.486 1.00 0.00 C ATOM 1791 C ARG A 110 123.472 2.514 3.912 1.00 0.00 C ATOM 1792 O ARG A 110 122.355 2.720 4.344 1.00 0.00 O ATOM 1793 CB ARG A 110 124.143 4.414 2.433 1.00 0.00 C ATOM 1794 CG ARG A 110 125.387 4.669 1.577 1.00 0.00 C ATOM 1795 CD ARG A 110 125.872 6.103 1.797 1.00 0.00 C ATOM 1796 NE ARG A 110 126.948 6.421 0.814 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.679 7.150 -0.234 1.00 0.00 C ATOM 1798 NH1 ARG A 110 126.620 8.450 -0.128 1.00 0.00 N ATOM 1799 NH2 ARG A 110 126.471 6.579 -1.389 1.00 0.00 N ATOM 0 H ARG A 110 122.034 3.317 1.454 1.00 0.00 H new ATOM 0 HA ARG A 110 124.750 2.362 2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.286 4.943 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.296 4.802 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 110 126.174 3.963 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.156 4.509 0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 110 125.042 6.800 1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 110 126.248 6.219 2.814 1.00 0.00 H new ATOM 0 HE ARG A 110 127.894 6.069 0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 110 126.784 8.896 0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 110 126.410 9.019 -0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 110 126.519 5.563 -1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 110 126.261 7.148 -2.209 1.00 0.00 H new ATOM 1813 N ASP A 111 124.385 1.942 4.647 1.00 0.00 N ATOM 1814 CA ASP A 111 124.066 1.533 6.043 1.00 0.00 C ATOM 1815 C ASP A 111 123.293 2.658 6.738 1.00 0.00 C ATOM 1816 O ASP A 111 123.335 3.794 6.308 1.00 0.00 O ATOM 1817 CB ASP A 111 125.364 1.259 6.805 1.00 0.00 C ATOM 1818 CG ASP A 111 125.511 -0.246 7.038 1.00 0.00 C ATOM 1819 OD1 ASP A 111 124.499 -0.927 7.037 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.633 -0.692 7.211 1.00 0.00 O ATOM 0 H ASP A 111 125.337 1.740 4.342 1.00 0.00 H new ATOM 0 HA ASP A 111 123.458 0.629 6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.217 1.635 6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.356 1.786 7.759 1.00 0.00 H new ATOM 1825 N PRO A 112 122.610 2.304 7.796 1.00 0.00 N ATOM 1826 CA PRO A 112 122.568 0.920 8.307 1.00 0.00 C ATOM 1827 C PRO A 112 121.574 0.072 7.504 1.00 0.00 C ATOM 1828 O PRO A 112 121.189 -1.002 7.922 1.00 0.00 O ATOM 1829 CB PRO A 112 122.085 1.091 9.749 1.00 0.00 C ATOM 1830 CG PRO A 112 121.341 2.447 9.804 1.00 0.00 C ATOM 1831 CD PRO A 112 121.820 3.265 8.589 1.00 0.00 C ATOM 0 HA PRO A 112 123.529 0.410 8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.424 0.274 10.036 1.00 0.00 H new ATOM 0 HB3 PRO A 112 122.925 1.081 10.444 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.262 2.298 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.560 2.971 10.734 1.00 0.00 H new ATOM 0 HD2 PRO A 112 120.980 3.658 8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.423 4.119 8.896 1.00 0.00 H new ATOM 1839 N PHE A 113 121.149 0.541 6.361 1.00 0.00 N ATOM 1840 CA PHE A 113 120.177 -0.248 5.551 1.00 0.00 C ATOM 1841 C PHE A 113 120.933 -1.130 4.555 1.00 0.00 C ATOM 1842 O PHE A 113 121.686 -0.651 3.732 1.00 0.00 O ATOM 1843 CB PHE A 113 119.252 0.705 4.790 1.00 0.00 C ATOM 1844 CG PHE A 113 118.395 1.461 5.776 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.435 0.781 6.535 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.561 2.841 5.931 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.642 1.482 7.449 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.769 3.542 6.845 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.809 2.863 7.605 1.00 0.00 C ATOM 0 H PHE A 113 121.432 1.433 5.955 1.00 0.00 H new ATOM 0 HA PHE A 113 119.584 -0.878 6.214 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.840 1.402 4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.623 0.145 4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.307 -0.285 6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.301 3.365 5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 113 115.901 0.958 8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.898 4.608 6.965 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.197 3.405 8.311 1.00 0.00 H new ATOM 1859 N SER A 114 120.733 -2.419 4.623 1.00 0.00 N ATOM 1860 CA SER A 114 121.436 -3.333 3.679 1.00 0.00 C ATOM 1861 C SER A 114 120.580 -3.533 2.426 1.00 0.00 C ATOM 1862 O SER A 114 119.555 -2.903 2.257 1.00 0.00 O ATOM 1863 CB SER A 114 121.673 -4.684 4.357 1.00 0.00 C ATOM 1864 OG SER A 114 122.361 -4.478 5.583 1.00 0.00 O ATOM 0 H SER A 114 120.114 -2.878 5.291 1.00 0.00 H new ATOM 0 HA SER A 114 122.394 -2.895 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 114 120.722 -5.184 4.540 1.00 0.00 H new ATOM 0 HB3 SER A 114 122.255 -5.335 3.704 1.00 0.00 H new ATOM 0 HG SER A 114 122.513 -5.341 6.022 1.00 0.00 H new ATOM 1870 N VAL A 115 120.996 -4.403 1.547 1.00 0.00 N ATOM 1871 CA VAL A 115 120.210 -4.641 0.304 1.00 0.00 C ATOM 1872 C VAL A 115 119.941 -6.140 0.149 1.00 0.00 C ATOM 1873 O VAL A 115 120.740 -6.967 0.538 1.00 0.00 O ATOM 1874 CB VAL A 115 121.010 -4.140 -0.901 1.00 0.00 C ATOM 1875 CG1 VAL A 115 120.200 -4.354 -2.179 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.308 -2.649 -0.732 1.00 0.00 C ATOM 0 H VAL A 115 121.846 -4.959 1.636 1.00 0.00 H new ATOM 0 HA VAL A 115 119.261 -4.107 0.363 1.00 0.00 H new ATOM 0 HB VAL A 115 121.946 -4.694 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.771 -3.997 -3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.988 -5.416 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.262 -3.802 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.878 -2.292 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.371 -2.096 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.888 -2.495 0.178 1.00 0.00 H new ATOM 1886 N ILE A 116 118.821 -6.497 -0.422 1.00 0.00 N ATOM 1887 CA ILE A 116 118.506 -7.943 -0.604 1.00 0.00 C ATOM 1888 C ILE A 116 118.326 -8.240 -2.093 1.00 0.00 C ATOM 1889 O ILE A 116 119.053 -9.023 -2.672 1.00 0.00 O ATOM 1890 CB ILE A 116 117.217 -8.289 0.144 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.174 -7.524 1.467 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.177 -9.793 0.426 1.00 0.00 C ATOM 1893 CD1 ILE A 116 115.804 -7.710 2.123 1.00 0.00 C ATOM 0 H ILE A 116 118.112 -5.851 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 116 119.325 -8.543 -0.207 1.00 0.00 H new ATOM 0 HB ILE A 116 116.358 -8.010 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 116 117.959 -7.884 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.364 -6.465 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.259 -10.039 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.208 -10.341 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.036 -10.072 1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 116 115.775 -7.164 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.028 -7.329 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.632 -8.770 2.312 1.00 0.00 H new ATOM 1905 N GLU A 117 117.363 -7.621 -2.721 1.00 0.00 N ATOM 1906 CA GLU A 117 117.143 -7.873 -4.174 1.00 0.00 C ATOM 1907 C GLU A 117 116.423 -6.678 -4.804 1.00 0.00 C ATOM 1908 O GLU A 117 116.112 -5.707 -4.144 1.00 0.00 O ATOM 1909 CB GLU A 117 116.286 -9.130 -4.347 1.00 0.00 C ATOM 1910 CG GLU A 117 117.155 -10.372 -4.146 1.00 0.00 C ATOM 1911 CD GLU A 117 116.747 -11.449 -5.153 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.647 -11.127 -6.326 1.00 0.00 O ATOM 1913 OE2 GLU A 117 116.543 -12.576 -4.735 1.00 0.00 O ATOM 0 H GLU A 117 116.721 -6.954 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 117 118.106 -8.013 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 117 115.467 -9.126 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.838 -9.144 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 117 118.207 -10.118 -4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.041 -10.748 -3.129 1.00 0.00 H new ATOM 1920 N GLU A 118 116.156 -6.746 -6.080 1.00 0.00 N ATOM 1921 CA GLU A 118 115.454 -5.620 -6.762 1.00 0.00 C ATOM 1922 C GLU A 118 115.137 -6.019 -8.204 1.00 0.00 C ATOM 1923 O GLU A 118 115.512 -7.081 -8.661 1.00 0.00 O ATOM 1924 CB GLU A 118 116.342 -4.368 -6.767 1.00 0.00 C ATOM 1925 CG GLU A 118 117.810 -4.760 -6.575 1.00 0.00 C ATOM 1926 CD GLU A 118 118.698 -3.837 -7.412 1.00 0.00 C ATOM 1927 OE1 GLU A 118 119.021 -2.763 -6.932 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.040 -4.220 -8.519 1.00 0.00 O ATOM 0 H GLU A 118 116.394 -7.535 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 118 114.531 -5.401 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.221 -3.831 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.032 -3.690 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.082 -4.687 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 118 117.962 -5.797 -6.873 1.00 0.00 H new ATOM 1935 N SER A 119 114.448 -5.177 -8.925 1.00 0.00 N ATOM 1936 CA SER A 119 114.107 -5.508 -10.338 1.00 0.00 C ATOM 1937 C SER A 119 114.991 -4.687 -11.277 1.00 0.00 C ATOM 1938 O SER A 119 115.211 -5.051 -12.415 1.00 0.00 O ATOM 1939 CB SER A 119 112.638 -5.173 -10.600 1.00 0.00 C ATOM 1940 OG SER A 119 112.490 -3.763 -10.688 1.00 0.00 O ATOM 0 H SER A 119 114.106 -4.274 -8.597 1.00 0.00 H new ATOM 0 HA SER A 119 114.274 -6.571 -10.514 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.304 -5.644 -11.524 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.014 -5.567 -9.798 1.00 0.00 H new ATOM 0 HG SER A 119 111.965 -3.538 -11.484 1.00 0.00 H new ATOM 1946 N LEU A 120 115.501 -3.582 -10.808 1.00 0.00 N ATOM 1947 CA LEU A 120 116.373 -2.739 -11.671 1.00 0.00 C ATOM 1948 C LEU A 120 117.781 -3.341 -11.704 1.00 0.00 C ATOM 1949 O LEU A 120 118.160 -4.075 -10.813 1.00 0.00 O ATOM 1950 CB LEU A 120 116.441 -1.322 -11.100 1.00 0.00 C ATOM 1951 CG LEU A 120 115.212 -0.524 -11.539 1.00 0.00 C ATOM 1952 CD1 LEU A 120 115.105 0.745 -10.691 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.353 -0.140 -13.013 1.00 0.00 C ATOM 0 H LEU A 120 115.351 -3.227 -9.864 1.00 0.00 H new ATOM 0 HA LEU A 120 115.963 -2.704 -12.681 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.490 -1.361 -10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.349 -0.826 -11.443 1.00 0.00 H new ATOM 0 HG LEU A 120 114.316 -1.130 -11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 120 114.230 1.317 -11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 120 115.007 0.473 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 120 116.001 1.350 -10.827 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.477 0.429 -13.326 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.248 0.468 -13.147 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.435 -1.043 -13.618 1.00 0.00 H new ATOM 1965 N PRO A 121 118.517 -3.007 -12.733 1.00 0.00 N ATOM 1966 CA PRO A 121 119.894 -3.495 -12.913 1.00 0.00 C ATOM 1967 C PRO A 121 120.856 -2.717 -12.011 1.00 0.00 C ATOM 1968 O PRO A 121 121.844 -3.243 -11.539 1.00 0.00 O ATOM 1969 CB PRO A 121 120.183 -3.217 -14.391 1.00 0.00 C ATOM 1970 CG PRO A 121 119.205 -2.097 -14.822 1.00 0.00 C ATOM 1971 CD PRO A 121 118.044 -2.112 -13.809 1.00 0.00 C ATOM 0 HA PRO A 121 120.016 -4.546 -12.652 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.218 -2.905 -14.533 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.035 -4.115 -14.992 1.00 0.00 H new ATOM 0 HG2 PRO A 121 119.703 -1.128 -14.826 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.839 -2.271 -15.834 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.832 -1.112 -13.431 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.125 -2.484 -14.262 1.00 0.00 H new ATOM 1979 N GLY A 122 120.570 -1.469 -11.768 1.00 0.00 N ATOM 1980 CA GLY A 122 121.463 -0.654 -10.897 1.00 0.00 C ATOM 1981 C GLY A 122 120.619 0.123 -9.885 1.00 0.00 C ATOM 1982 O GLY A 122 121.106 1.001 -9.200 1.00 0.00 O ATOM 0 H GLY A 122 119.755 -0.977 -12.135 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.170 -1.300 -10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 122 122.049 0.036 -11.504 1.00 0.00 H new ATOM 1986 N GLY A 123 119.357 -0.192 -9.783 1.00 0.00 N ATOM 1987 CA GLY A 123 118.484 0.529 -8.814 1.00 0.00 C ATOM 1988 C GLY A 123 117.691 1.616 -9.543 1.00 0.00 C ATOM 1989 O GLY A 123 117.697 1.695 -10.755 1.00 0.00 O ATOM 0 H GLY A 123 118.892 -0.918 -10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.801 -0.172 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 123 119.090 0.975 -8.026 1.00 0.00 H new ATOM 1993 N LEU A 124 117.008 2.452 -8.811 1.00 0.00 N ATOM 1994 CA LEU A 124 116.210 3.533 -9.457 1.00 0.00 C ATOM 1995 C LEU A 124 117.148 4.550 -10.111 1.00 0.00 C ATOM 1996 O LEU A 124 118.356 4.434 -10.037 1.00 0.00 O ATOM 1997 CB LEU A 124 115.356 4.233 -8.399 1.00 0.00 C ATOM 1998 CG LEU A 124 113.947 3.638 -8.409 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.293 3.840 -7.041 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.107 4.335 -9.481 1.00 0.00 C ATOM 0 H LEU A 124 116.968 2.434 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 124 115.565 3.098 -10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.807 4.112 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 124 115.312 5.303 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 124 114.007 2.572 -8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.289 3.415 -7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 124 113.889 3.343 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.234 4.906 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.103 3.911 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 124 113.049 5.401 -9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.570 4.190 -10.457 1.00 0.00 H new