USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=38 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 44 TYR OH : rot 108:sc= -0.798 USER MOD Set 1.2: A 119 SER OG : rot -66:sc= -0.475 USER MOD Set 2.1: A 81 ASN : amide:sc= -5.58! C(o=-7.5!,f=-9.3!) USER MOD Set 2.2: A 85 GLN : amide:sc= -1.94 K(o=-7.5,f=-11!) USER MOD Set 3.1: A 71 THR OG1 : rot 142:sc= -2.17! USER MOD Set 3.2: A 73 HIS : no HE2:sc= -11.1! C(o=-35!,f=-38!) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -21.9! C(o=-35!,f=-46!) USER MOD Set 4.1: A 60 ASN : amide:sc= -7.82! C(o=-18!,f=-26!) USER MOD Set 4.2: A 65 ASN : amide:sc= -10.6! C(o=-18!,f=-24!) USER MOD Set 5.1: A 34 TYR OH : rot 120:sc= -3.8! USER MOD Set 5.2: A 64 HIS : no HD1:sc= -16! C(o=-20!,f=-20!) USER MOD Set 6.1: A 50 LYS NZ :NH3+ -160:sc= -2.07! (180deg=-2.73!) USER MOD Set 6.2: A 83 TYR OH : rot -36:sc= -4.99! USER MOD Set 7.1: A 39 LYS NZ :NH3+ -98:sc= 0.987 (180deg=-0.896!) USER MOD Set 7.2: A 91 SER OG : rot -96:sc= 0.254! USER MOD Set 8.1: A 35 THR OG1 : rot -70:sc= -7.68! USER MOD Set 8.2: A 36 THR OG1 : rot 180:sc= -0.0106 USER MOD Set 9.1: A 19 SER OG : rot 180:sc= -0.661 USER MOD Set 9.2: A 99 ASN : amide:sc= -4.47! C(o=-5.1!,f=-12!) USER MOD Single : A 8 LYS NZ :NH3+ -146:sc= 0.144 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -4.67 F(o=-6.4!,f=-4.7) USER MOD Single : A 24 SER OG : rot 180:sc= -0.171 USER MOD Single : A 25 ASN : amide:sc= -0.0319 X(o=-0.032,f=-0.23) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00489 USER MOD Single : A 30 CYS SG : rot 42:sc= -5.25! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 158:sc= -0.0486 (180deg=-0.368) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0895 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 127:sc= -3.98! USER MOD Single : A 59 HIS : no HD1:sc= -7.1! C(o=-7.1!,f=-8.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0772 USER MOD Single : A 62 TYR OH : rot 150:sc= -1.48! USER MOD Single : A 63 ASN : amide:sc= -0.397 K(o=-0.4,f=-1.5) USER MOD Single : A 78 SER OG : rot 180:sc= 0.126 USER MOD Single : A 82 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -57:sc= -0.161 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -130:sc= -3.76! USER MOD Single : A 96 LYS NZ :NH3+ -136:sc= -2.84! (180deg=-3.64!) 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 -168:sc= -0.844 (180deg=-1.15) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 134:sc= 0.139 USER MOD Single : A 109 THR OG1 : rot -60:sc= 0.609 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 108.740 -4.519 18.147 1.00 0.00 N ATOM 75 CA ASP A 6 108.188 -4.505 16.763 1.00 0.00 C ATOM 76 C ASP A 6 108.020 -3.051 16.300 1.00 0.00 C ATOM 77 O ASP A 6 107.407 -2.257 16.984 1.00 0.00 O ATOM 78 CB ASP A 6 106.827 -5.202 16.753 1.00 0.00 C ATOM 79 CG ASP A 6 106.466 -5.598 15.321 1.00 0.00 C ATOM 80 OD1 ASP A 6 105.945 -4.755 14.607 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.716 -6.736 14.960 1.00 0.00 O ATOM 0 HA ASP A 6 108.869 -5.027 16.091 1.00 0.00 H new ATOM 0 HB2 ASP A 6 106.855 -6.086 17.390 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.064 -4.539 17.161 1.00 0.00 H new ATOM 86 N PRO A 7 108.571 -2.743 15.151 1.00 0.00 N ATOM 87 CA PRO A 7 108.497 -1.388 14.576 1.00 0.00 C ATOM 88 C PRO A 7 107.131 -1.155 13.925 1.00 0.00 C ATOM 89 O PRO A 7 106.794 -1.766 12.931 1.00 0.00 O ATOM 90 CB PRO A 7 109.609 -1.383 13.525 1.00 0.00 C ATOM 91 CG PRO A 7 109.869 -2.862 13.159 1.00 0.00 C ATOM 92 CD PRO A 7 109.318 -3.711 14.320 1.00 0.00 C ATOM 0 HA PRO A 7 108.616 -0.601 15.320 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.310 -0.812 12.646 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.512 -0.915 13.917 1.00 0.00 H new ATOM 0 HG2 PRO A 7 109.375 -3.121 12.222 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.934 -3.044 13.019 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.670 -4.509 13.958 1.00 0.00 H new ATOM 0 HD3 PRO A 7 110.122 -4.184 14.884 1.00 0.00 H new ATOM 100 N LYS A 8 106.343 -0.275 14.479 1.00 0.00 N ATOM 101 CA LYS A 8 105.002 -0.002 13.890 1.00 0.00 C ATOM 102 C LYS A 8 105.148 0.976 12.722 1.00 0.00 C ATOM 103 O LYS A 8 104.206 1.245 12.004 1.00 0.00 O ATOM 104 CB LYS A 8 104.090 0.607 14.957 1.00 0.00 C ATOM 105 CG LYS A 8 103.674 -0.476 15.952 1.00 0.00 C ATOM 106 CD LYS A 8 104.788 -0.681 16.980 1.00 0.00 C ATOM 107 CE LYS A 8 104.181 -1.125 18.311 1.00 0.00 C ATOM 108 NZ LYS A 8 105.270 -1.541 19.240 1.00 0.00 N ATOM 0 H LYS A 8 106.570 0.266 15.313 1.00 0.00 H new ATOM 0 HA LYS A 8 104.566 -0.934 13.530 1.00 0.00 H new ATOM 0 HB2 LYS A 8 104.608 1.413 15.476 1.00 0.00 H new ATOM 0 HB3 LYS A 8 103.208 1.044 14.490 1.00 0.00 H new ATOM 0 HG2 LYS A 8 102.750 -0.188 16.454 1.00 0.00 H new ATOM 0 HG3 LYS A 8 103.473 -1.410 15.427 1.00 0.00 H new ATOM 0 HD2 LYS A 8 105.494 -1.431 16.622 1.00 0.00 H new ATOM 0 HD3 LYS A 8 105.348 0.245 17.115 1.00 0.00 H new ATOM 0 HE2 LYS A 8 103.605 -0.310 18.750 1.00 0.00 H new ATOM 0 HE3 LYS A 8 103.490 -1.953 18.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 104.935 -2.322 19.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 106.094 -1.856 18.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 105.541 -0.736 19.840 1.00 0.00 H new ATOM 122 N ASP A 9 106.323 1.511 12.527 1.00 0.00 N ATOM 123 CA ASP A 9 106.527 2.472 11.407 1.00 0.00 C ATOM 124 C ASP A 9 107.986 2.418 10.947 1.00 0.00 C ATOM 125 O ASP A 9 108.865 2.041 11.696 1.00 0.00 O ATOM 126 CB ASP A 9 106.198 3.888 11.886 1.00 0.00 C ATOM 127 CG ASP A 9 105.045 4.453 11.054 1.00 0.00 C ATOM 128 OD1 ASP A 9 105.317 5.028 10.013 1.00 0.00 O ATOM 129 OD2 ASP A 9 103.908 4.301 11.473 1.00 0.00 O ATOM 0 H ASP A 9 107.149 1.324 13.095 1.00 0.00 H new ATOM 0 HA ASP A 9 105.873 2.206 10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.925 3.872 12.941 1.00 0.00 H new ATOM 0 HB3 ASP A 9 107.075 4.528 11.793 1.00 0.00 H new ATOM 134 N PHE A 10 108.251 2.799 9.723 1.00 0.00 N ATOM 135 CA PHE A 10 109.657 2.781 9.221 1.00 0.00 C ATOM 136 C PHE A 10 110.577 3.341 10.314 1.00 0.00 C ATOM 137 O PHE A 10 110.110 3.959 11.249 1.00 0.00 O ATOM 138 CB PHE A 10 109.762 3.670 7.975 1.00 0.00 C ATOM 139 CG PHE A 10 108.628 3.379 7.019 1.00 0.00 C ATOM 140 CD1 PHE A 10 108.749 2.343 6.085 1.00 0.00 C ATOM 141 CD2 PHE A 10 107.468 4.162 7.048 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.710 2.088 5.181 1.00 0.00 C ATOM 143 CE2 PHE A 10 106.428 3.906 6.147 1.00 0.00 C ATOM 144 CZ PHE A 10 106.550 2.869 5.213 1.00 0.00 C ATOM 0 H PHE A 10 107.555 3.121 9.051 1.00 0.00 H new ATOM 0 HA PHE A 10 109.949 1.761 8.969 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.739 4.720 8.267 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.717 3.499 7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 10 109.645 1.740 6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 10 107.376 4.964 7.766 1.00 0.00 H new ATOM 0 HE1 PHE A 10 107.804 1.289 4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 10 105.532 4.508 6.172 1.00 0.00 H new ATOM 0 HZ PHE A 10 105.748 2.672 4.517 1.00 0.00 H new ATOM 154 N PRO A 11 111.858 3.115 10.163 1.00 0.00 N ATOM 155 CA PRO A 11 112.859 3.598 11.129 1.00 0.00 C ATOM 156 C PRO A 11 113.102 5.098 10.942 1.00 0.00 C ATOM 157 O PRO A 11 112.999 5.623 9.850 1.00 0.00 O ATOM 158 CB PRO A 11 114.110 2.782 10.793 1.00 0.00 C ATOM 159 CG PRO A 11 113.936 2.301 9.333 1.00 0.00 C ATOM 160 CD PRO A 11 112.427 2.367 9.024 1.00 0.00 C ATOM 0 HA PRO A 11 112.551 3.474 12.167 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.010 3.389 10.898 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.216 1.935 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.500 2.933 8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.312 1.285 9.212 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.236 2.874 8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.992 1.371 8.945 1.00 0.00 H new ATOM 168 N SER A 12 113.413 5.793 12.001 1.00 0.00 N ATOM 169 CA SER A 12 113.651 7.260 11.893 1.00 0.00 C ATOM 170 C SER A 12 114.691 7.542 10.806 1.00 0.00 C ATOM 171 O SER A 12 114.648 8.562 10.145 1.00 0.00 O ATOM 172 CB SER A 12 114.158 7.789 13.234 1.00 0.00 C ATOM 173 OG SER A 12 115.313 7.059 13.622 1.00 0.00 O ATOM 0 H SER A 12 113.513 5.407 12.940 1.00 0.00 H new ATOM 0 HA SER A 12 112.718 7.758 11.630 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.395 8.850 13.153 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.381 7.693 13.993 1.00 0.00 H new ATOM 0 HG SER A 12 115.641 7.398 14.481 1.00 0.00 H new ATOM 179 N GLU A 13 115.622 6.652 10.614 1.00 0.00 N ATOM 180 CA GLU A 13 116.659 6.877 9.568 1.00 0.00 C ATOM 181 C GLU A 13 115.980 7.058 8.207 1.00 0.00 C ATOM 182 O GLU A 13 116.366 7.897 7.417 1.00 0.00 O ATOM 183 CB GLU A 13 117.600 5.673 9.516 1.00 0.00 C ATOM 184 CG GLU A 13 118.976 6.118 9.018 1.00 0.00 C ATOM 185 CD GLU A 13 119.933 6.245 10.206 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.454 6.260 11.327 1.00 0.00 O ATOM 187 OE2 GLU A 13 121.128 6.326 9.972 1.00 0.00 O ATOM 0 H GLU A 13 115.711 5.779 11.135 1.00 0.00 H new ATOM 0 HA GLU A 13 117.231 7.773 9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.688 5.224 10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.192 4.909 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.365 5.397 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.895 7.073 8.499 1.00 0.00 H new ATOM 194 N LEU A 14 114.969 6.280 7.928 1.00 0.00 N ATOM 195 CA LEU A 14 114.266 6.410 6.619 1.00 0.00 C ATOM 196 C LEU A 14 113.078 7.364 6.766 1.00 0.00 C ATOM 197 O LEU A 14 112.372 7.640 5.817 1.00 0.00 O ATOM 198 CB LEU A 14 113.757 5.040 6.170 1.00 0.00 C ATOM 199 CG LEU A 14 114.939 4.174 5.736 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.476 2.725 5.576 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.484 4.686 4.402 1.00 0.00 C ATOM 0 H LEU A 14 114.600 5.560 8.549 1.00 0.00 H new ATOM 0 HA LEU A 14 114.962 6.803 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.218 4.556 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.054 5.154 5.345 1.00 0.00 H new ATOM 0 HG LEU A 14 115.723 4.224 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.318 2.106 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 14 114.088 2.360 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.692 2.675 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 14 116.327 4.068 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.701 4.636 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 14 115.813 5.719 4.516 1.00 0.00 H new ATOM 213 N LEU A 15 112.851 7.871 7.947 1.00 0.00 N ATOM 214 CA LEU A 15 111.708 8.805 8.146 1.00 0.00 C ATOM 215 C LEU A 15 112.159 10.234 7.837 1.00 0.00 C ATOM 216 O LEU A 15 111.530 11.194 8.235 1.00 0.00 O ATOM 217 CB LEU A 15 111.230 8.725 9.598 1.00 0.00 C ATOM 218 CG LEU A 15 110.583 7.361 9.846 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.507 7.097 11.352 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.171 7.352 9.255 1.00 0.00 C ATOM 0 H LEU A 15 113.407 7.679 8.781 1.00 0.00 H new ATOM 0 HA LEU A 15 110.892 8.528 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.070 8.870 10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.514 9.522 9.801 1.00 0.00 H new ATOM 0 HG LEU A 15 111.182 6.584 9.371 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.046 6.125 11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.512 7.104 11.774 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.909 7.874 11.828 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.709 6.381 9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.573 8.130 9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.224 7.539 8.183 1.00 0.00 H new ATOM 232 N SER A 16 113.244 10.383 7.126 1.00 0.00 N ATOM 233 CA SER A 16 113.735 11.748 6.791 1.00 0.00 C ATOM 234 C SER A 16 113.070 12.226 5.498 1.00 0.00 C ATOM 235 O SER A 16 113.090 13.397 5.177 1.00 0.00 O ATOM 236 CB SER A 16 115.251 11.710 6.599 1.00 0.00 C ATOM 237 OG SER A 16 115.802 12.972 6.959 1.00 0.00 O ATOM 0 H SER A 16 113.811 9.617 6.763 1.00 0.00 H new ATOM 0 HA SER A 16 113.487 12.433 7.602 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.687 10.921 7.212 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.492 11.477 5.562 1.00 0.00 H new ATOM 0 HG SER A 16 116.774 12.951 6.839 1.00 0.00 H new ATOM 243 N PHE A 17 112.479 11.331 4.754 1.00 0.00 N ATOM 244 CA PHE A 17 111.813 11.744 3.486 1.00 0.00 C ATOM 245 C PHE A 17 110.617 10.832 3.205 1.00 0.00 C ATOM 246 O PHE A 17 110.672 9.963 2.359 1.00 0.00 O ATOM 247 CB PHE A 17 112.806 11.658 2.322 1.00 0.00 C ATOM 248 CG PHE A 17 113.740 10.482 2.509 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.295 9.312 3.139 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.056 10.562 2.039 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.166 8.228 3.298 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.927 9.479 2.196 1.00 0.00 C ATOM 253 CZ PHE A 17 115.482 8.310 2.826 1.00 0.00 C ATOM 0 H PHE A 17 112.429 10.335 4.968 1.00 0.00 H new ATOM 0 HA PHE A 17 111.466 12.772 3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.265 11.554 1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.382 12.581 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.280 9.247 3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.400 11.463 1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.823 7.327 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.942 9.544 1.832 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.153 7.473 2.948 1.00 0.00 H new ATOM 263 N LEU A 18 109.534 11.025 3.908 1.00 0.00 N ATOM 264 CA LEU A 18 108.334 10.172 3.678 1.00 0.00 C ATOM 265 C LEU A 18 107.071 11.025 3.816 1.00 0.00 C ATOM 266 O LEU A 18 107.117 12.147 4.279 1.00 0.00 O ATOM 267 CB LEU A 18 108.305 9.042 4.710 1.00 0.00 C ATOM 268 CG LEU A 18 108.722 7.731 4.040 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.354 6.804 5.080 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.489 7.053 3.438 1.00 0.00 C ATOM 0 H LEU A 18 109.429 11.736 4.631 1.00 0.00 H new ATOM 0 HA LEU A 18 108.377 9.745 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.978 9.271 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.305 8.945 5.132 1.00 0.00 H new ATOM 0 HG LEU A 18 109.445 7.940 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.651 5.870 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 18 110.231 7.286 5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 18 108.631 6.594 5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.784 6.119 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 18 106.767 6.844 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.037 7.712 2.697 1.00 0.00 H new ATOM 282 N SER A 19 105.944 10.505 3.415 1.00 0.00 N ATOM 283 CA SER A 19 104.682 11.290 3.521 1.00 0.00 C ATOM 284 C SER A 19 104.130 11.184 4.943 1.00 0.00 C ATOM 285 O SER A 19 103.663 12.150 5.512 1.00 0.00 O ATOM 286 CB SER A 19 103.653 10.739 2.533 1.00 0.00 C ATOM 287 OG SER A 19 104.028 11.104 1.212 1.00 0.00 O ATOM 0 H SER A 19 105.842 9.571 3.019 1.00 0.00 H new ATOM 0 HA SER A 19 104.886 12.335 3.289 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.593 9.654 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 19 102.663 11.132 2.764 1.00 0.00 H new ATOM 0 HG SER A 19 103.371 10.751 0.576 1.00 0.00 H new ATOM 293 N HIS A 20 104.177 10.015 5.522 1.00 0.00 N ATOM 294 CA HIS A 20 103.652 9.849 6.907 1.00 0.00 C ATOM 295 C HIS A 20 102.152 10.145 6.923 1.00 0.00 C ATOM 296 O HIS A 20 101.675 10.942 7.705 1.00 0.00 O ATOM 297 CB HIS A 20 104.374 10.817 7.846 1.00 0.00 C ATOM 298 CG HIS A 20 105.847 10.809 7.541 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.651 11.699 6.872 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.680 9.778 7.947 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.961 11.231 6.862 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.922 10.070 7.522 1.00 0.00 N flip ATOM 0 H HIS A 20 104.556 9.169 5.096 1.00 0.00 H new ATOM 0 HA HIS A 20 103.823 8.825 7.240 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.973 11.823 7.726 1.00 0.00 H new ATOM 0 HB3 HIS A 20 104.205 10.528 8.883 1.00 0.00 H new ATOM 0 HD1 HIS A 20 106.335 12.571 6.447 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.385 8.900 8.503 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.824 11.704 6.417 1.00 0.00 H new ATOM 310 N ALA A 21 101.403 9.509 6.063 1.00 0.00 N ATOM 311 CA ALA A 21 99.934 9.754 6.029 1.00 0.00 C ATOM 312 C ALA A 21 99.205 8.443 5.728 1.00 0.00 C ATOM 313 O ALA A 21 99.811 7.396 5.618 1.00 0.00 O ATOM 314 CB ALA A 21 99.611 10.778 4.939 1.00 0.00 C ATOM 0 H ALA A 21 101.746 8.831 5.383 1.00 0.00 H new ATOM 0 HA ALA A 21 99.608 10.138 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.536 10.957 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.130 11.713 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.937 10.395 3.972 1.00 0.00 H new ATOM 320 N VAL A 22 97.909 8.492 5.594 1.00 0.00 N ATOM 321 CA VAL A 22 97.142 7.248 5.300 1.00 0.00 C ATOM 322 C VAL A 22 95.943 7.585 4.415 1.00 0.00 C ATOM 323 O VAL A 22 95.851 7.155 3.283 1.00 0.00 O ATOM 324 CB VAL A 22 96.651 6.629 6.609 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.465 5.121 6.425 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.682 6.882 7.712 1.00 0.00 C ATOM 0 H VAL A 22 97.347 9.339 5.675 1.00 0.00 H new ATOM 0 HA VAL A 22 97.787 6.538 4.783 1.00 0.00 H new ATOM 0 HB VAL A 22 95.699 7.082 6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.115 4.681 7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.731 4.938 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.416 4.669 6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.332 6.441 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.633 6.430 7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 22 97.816 7.955 7.846 1.00 0.00 H new ATOM 336 N PHE A 23 95.024 8.353 4.925 1.00 0.00 N ATOM 337 CA PHE A 23 93.827 8.724 4.119 1.00 0.00 C ATOM 338 C PHE A 23 94.038 10.107 3.499 1.00 0.00 C ATOM 339 O PHE A 23 93.122 10.898 3.394 1.00 0.00 O ATOM 340 CB PHE A 23 92.593 8.756 5.023 1.00 0.00 C ATOM 341 CG PHE A 23 91.981 7.377 5.092 1.00 0.00 C ATOM 342 CD1 PHE A 23 92.775 6.273 5.425 1.00 0.00 C ATOM 343 CD2 PHE A 23 90.617 7.202 4.825 1.00 0.00 C ATOM 344 CE1 PHE A 23 92.207 4.995 5.489 1.00 0.00 C ATOM 345 CE2 PHE A 23 90.049 5.924 4.889 1.00 0.00 C ATOM 346 CZ PHE A 23 90.844 4.821 5.222 1.00 0.00 C ATOM 0 H PHE A 23 95.049 8.742 5.868 1.00 0.00 H new ATOM 0 HA PHE A 23 93.680 7.988 3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 23 92.870 9.093 6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 23 91.865 9.469 4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 23 93.826 6.407 5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 23 90.003 8.053 4.570 1.00 0.00 H new ATOM 0 HE1 PHE A 23 92.820 4.144 5.744 1.00 0.00 H new ATOM 0 HE2 PHE A 23 88.998 5.789 4.682 1.00 0.00 H new ATOM 0 HZ PHE A 23 90.406 3.835 5.273 1.00 0.00 H new ATOM 356 N SER A 24 95.241 10.406 3.087 1.00 0.00 N ATOM 357 CA SER A 24 95.508 11.738 2.475 1.00 0.00 C ATOM 358 C SER A 24 94.687 11.885 1.191 1.00 0.00 C ATOM 359 O SER A 24 94.208 10.916 0.636 1.00 0.00 O ATOM 360 CB SER A 24 96.996 11.858 2.145 1.00 0.00 C ATOM 361 OG SER A 24 97.181 12.880 1.174 1.00 0.00 O ATOM 0 H SER A 24 96.049 9.786 3.148 1.00 0.00 H new ATOM 0 HA SER A 24 95.227 12.523 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.563 12.090 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.374 10.908 1.767 1.00 0.00 H new ATOM 0 HG SER A 24 98.134 12.961 0.962 1.00 0.00 H new ATOM 367 N ASN A 25 94.522 13.089 0.716 1.00 0.00 N ATOM 368 CA ASN A 25 93.732 13.296 -0.531 1.00 0.00 C ATOM 369 C ASN A 25 94.670 13.278 -1.741 1.00 0.00 C ATOM 370 O ASN A 25 94.351 12.727 -2.776 1.00 0.00 O ATOM 371 CB ASN A 25 93.015 14.647 -0.461 1.00 0.00 C ATOM 372 CG ASN A 25 91.723 14.582 -1.278 1.00 0.00 C ATOM 373 OD1 ASN A 25 90.893 13.723 -1.056 1.00 0.00 O ATOM 374 ND2 ASN A 25 91.517 15.461 -2.220 1.00 0.00 N ATOM 0 H ASN A 25 94.900 13.938 1.137 1.00 0.00 H new ATOM 0 HA ASN A 25 92.996 12.498 -0.631 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.790 14.898 0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.662 15.435 -0.846 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.659 15.427 -2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 25 92.214 16.182 -2.406 1.00 0.00 H new ATOM 381 N ARG A 26 95.823 13.877 -1.618 1.00 0.00 N ATOM 382 CA ARG A 26 96.779 13.894 -2.763 1.00 0.00 C ATOM 383 C ARG A 26 97.003 12.464 -3.263 1.00 0.00 C ATOM 384 O ARG A 26 97.105 11.534 -2.489 1.00 0.00 O ATOM 385 CB ARG A 26 98.111 14.491 -2.303 1.00 0.00 C ATOM 386 CG ARG A 26 98.641 15.444 -3.377 1.00 0.00 C ATOM 387 CD ARG A 26 99.381 14.642 -4.449 1.00 0.00 C ATOM 388 NE ARG A 26 100.025 15.577 -5.414 1.00 0.00 N ATOM 389 CZ ARG A 26 100.529 15.120 -6.527 1.00 0.00 C ATOM 390 NH1 ARG A 26 101.048 13.923 -6.566 1.00 0.00 N ATOM 391 NH2 ARG A 26 100.515 15.860 -7.602 1.00 0.00 N ATOM 0 H ARG A 26 96.145 14.355 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 26 96.369 14.499 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 26 97.977 15.025 -1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.834 13.696 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 26 97.817 15.998 -3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 26 99.311 16.178 -2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 26 100.134 14.005 -3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 26 98.686 13.985 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 26 100.072 16.574 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 26 101.060 13.345 -5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 26 101.442 13.566 -7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 26 100.110 16.796 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 26 100.909 15.503 -8.472 1.00 0.00 H new ATOM 405 N THR A 27 97.082 12.283 -4.555 1.00 0.00 N ATOM 406 CA THR A 27 97.302 10.915 -5.105 1.00 0.00 C ATOM 407 C THR A 27 98.785 10.558 -5.001 1.00 0.00 C ATOM 408 O THR A 27 99.623 11.411 -4.786 1.00 0.00 O ATOM 409 CB THR A 27 96.869 10.879 -6.574 1.00 0.00 C ATOM 410 OG1 THR A 27 97.491 11.946 -7.275 1.00 0.00 O ATOM 411 CG2 THR A 27 95.349 11.023 -6.663 1.00 0.00 C ATOM 0 H THR A 27 97.004 13.023 -5.252 1.00 0.00 H new ATOM 0 HA THR A 27 96.714 10.195 -4.536 1.00 0.00 H new ATOM 0 HB THR A 27 97.167 9.930 -7.019 1.00 0.00 H new ATOM 0 HG1 THR A 27 97.216 11.924 -8.215 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.042 10.997 -7.708 1.00 0.00 H new ATOM 0 HG22 THR A 27 94.874 10.203 -6.125 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.047 11.972 -6.219 1.00 0.00 H new ATOM 419 N LEU A 28 99.118 9.305 -5.150 1.00 0.00 N ATOM 420 CA LEU A 28 100.550 8.902 -5.054 1.00 0.00 C ATOM 421 C LEU A 28 100.789 7.637 -5.882 1.00 0.00 C ATOM 422 O LEU A 28 99.957 6.754 -5.940 1.00 0.00 O ATOM 423 CB LEU A 28 100.898 8.623 -3.590 1.00 0.00 C ATOM 424 CG LEU A 28 101.657 9.816 -3.006 1.00 0.00 C ATOM 425 CD1 LEU A 28 100.694 10.695 -2.206 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.767 9.307 -2.083 1.00 0.00 C ATOM 0 H LEU A 28 98.463 8.545 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 28 101.179 9.706 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 28 99.988 8.443 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 28 101.505 7.721 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 28 102.093 10.401 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 28 101.236 11.544 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 28 99.901 11.056 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 28 100.257 10.112 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.310 10.155 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.328 8.723 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.454 8.681 -2.652 1.00 0.00 H new ATOM 438 N ALA A 29 101.926 7.541 -6.518 1.00 0.00 N ATOM 439 CA ALA A 29 102.230 6.331 -7.337 1.00 0.00 C ATOM 440 C ALA A 29 103.464 5.628 -6.758 1.00 0.00 C ATOM 441 O ALA A 29 103.860 4.571 -7.209 1.00 0.00 O ATOM 442 CB ALA A 29 102.512 6.749 -8.782 1.00 0.00 C ATOM 0 H ALA A 29 102.659 8.250 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 29 101.378 5.652 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.734 5.865 -9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.637 7.254 -9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.366 7.426 -8.805 1.00 0.00 H new ATOM 448 N CYS A 30 104.075 6.210 -5.760 1.00 0.00 N ATOM 449 CA CYS A 30 105.280 5.582 -5.146 1.00 0.00 C ATOM 450 C CYS A 30 104.918 5.089 -3.744 1.00 0.00 C ATOM 451 O CYS A 30 104.385 5.828 -2.939 1.00 0.00 O ATOM 452 CB CYS A 30 106.400 6.626 -5.056 1.00 0.00 C ATOM 453 SG CYS A 30 107.690 6.055 -3.921 1.00 0.00 S ATOM 0 H CYS A 30 103.790 7.096 -5.343 1.00 0.00 H new ATOM 0 HA CYS A 30 105.619 4.742 -5.753 1.00 0.00 H new ATOM 0 HB2 CYS A 30 106.825 6.801 -6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 30 105.995 7.577 -4.710 1.00 0.00 H new ATOM 0 HG CYS A 30 107.922 4.793 -4.127 1.00 0.00 H new ATOM 459 N PHE A 31 105.191 3.848 -3.440 1.00 0.00 N ATOM 460 CA PHE A 31 104.841 3.338 -2.086 1.00 0.00 C ATOM 461 C PHE A 31 105.997 2.515 -1.506 1.00 0.00 C ATOM 462 O PHE A 31 106.875 2.059 -2.217 1.00 0.00 O ATOM 463 CB PHE A 31 103.605 2.451 -2.195 1.00 0.00 C ATOM 464 CG PHE A 31 102.506 3.175 -2.938 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.620 3.399 -4.316 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.365 3.609 -2.252 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.596 4.057 -5.006 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.340 4.265 -2.942 1.00 0.00 C ATOM 469 CZ PHE A 31 100.453 4.490 -4.320 1.00 0.00 C ATOM 0 H PHE A 31 105.636 3.174 -4.063 1.00 0.00 H new ATOM 0 HA PHE A 31 104.646 4.185 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.857 1.526 -2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.259 2.173 -1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.499 3.064 -4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.276 3.437 -1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.686 4.231 -6.068 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.460 4.598 -2.412 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.661 4.996 -4.853 1.00 0.00 H new ATOM 479 N ALA A 32 105.992 2.318 -0.212 1.00 0.00 N ATOM 480 CA ALA A 32 107.070 1.521 0.444 1.00 0.00 C ATOM 481 C ALA A 32 106.446 0.578 1.473 1.00 0.00 C ATOM 482 O ALA A 32 105.859 1.010 2.445 1.00 0.00 O ATOM 483 CB ALA A 32 108.041 2.460 1.163 1.00 0.00 C ATOM 0 H ALA A 32 105.280 2.679 0.423 1.00 0.00 H new ATOM 0 HA ALA A 32 107.605 0.949 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 32 108.827 1.875 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.487 3.145 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.502 3.030 1.920 1.00 0.00 H new ATOM 489 N ILE A 33 106.568 -0.705 1.276 1.00 0.00 N ATOM 490 CA ILE A 33 105.980 -1.661 2.256 1.00 0.00 C ATOM 491 C ILE A 33 107.064 -2.116 3.236 1.00 0.00 C ATOM 492 O ILE A 33 107.807 -3.039 2.974 1.00 0.00 O ATOM 493 CB ILE A 33 105.412 -2.872 1.518 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.149 -2.457 0.761 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.060 -3.962 2.530 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.151 -3.101 -0.626 1.00 0.00 C ATOM 0 H ILE A 33 107.047 -1.132 0.483 1.00 0.00 H new ATOM 0 HA ILE A 33 105.177 -1.169 2.805 1.00 0.00 H new ATOM 0 HB ILE A 33 106.152 -3.252 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.262 -2.765 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.107 -1.372 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.654 -4.828 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.957 -4.255 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.317 -3.581 3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.251 -2.806 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.031 -2.771 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.173 -4.186 -0.523 1.00 0.00 H new ATOM 508 N TYR A 34 107.158 -1.472 4.365 1.00 0.00 N ATOM 509 CA TYR A 34 108.190 -1.861 5.368 1.00 0.00 C ATOM 510 C TYR A 34 107.609 -2.935 6.287 1.00 0.00 C ATOM 511 O TYR A 34 106.721 -2.676 7.071 1.00 0.00 O ATOM 512 CB TYR A 34 108.587 -0.624 6.182 1.00 0.00 C ATOM 513 CG TYR A 34 109.258 -1.036 7.474 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.342 -1.921 7.453 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.798 -0.523 8.693 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.964 -2.291 8.648 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.419 -0.896 9.889 1.00 0.00 C ATOM 518 CZ TYR A 34 110.503 -1.781 9.866 1.00 0.00 C ATOM 519 OH TYR A 34 111.121 -2.147 11.044 1.00 0.00 O ATOM 0 H TYR A 34 106.563 -0.690 4.638 1.00 0.00 H new ATOM 0 HA TYR A 34 109.074 -2.258 4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.261 0.002 5.598 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.703 -0.024 6.399 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.697 -2.318 6.513 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.963 0.161 8.709 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.802 -2.972 8.631 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.063 -0.502 10.829 1.00 0.00 H new ATOM 0 HH TYR A 34 111.474 -1.349 11.490 1.00 0.00 H new ATOM 529 N THR A 35 108.089 -4.142 6.191 1.00 0.00 N ATOM 530 CA THR A 35 107.537 -5.221 7.058 1.00 0.00 C ATOM 531 C THR A 35 108.540 -6.374 7.143 1.00 0.00 C ATOM 532 O THR A 35 109.648 -6.285 6.652 1.00 0.00 O ATOM 533 CB THR A 35 106.213 -5.737 6.465 1.00 0.00 C ATOM 534 OG1 THR A 35 106.423 -7.015 5.888 1.00 0.00 O ATOM 535 CG2 THR A 35 105.696 -4.778 5.385 1.00 0.00 C ATOM 0 H THR A 35 108.834 -4.428 5.555 1.00 0.00 H new ATOM 0 HA THR A 35 107.355 -4.822 8.056 1.00 0.00 H new ATOM 0 HB THR A 35 105.474 -5.802 7.264 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.968 -6.923 5.079 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.760 -5.159 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.527 -3.794 5.823 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.433 -4.698 4.586 1.00 0.00 H new ATOM 543 N THR A 36 108.155 -7.460 7.757 1.00 0.00 N ATOM 544 CA THR A 36 109.081 -8.622 7.866 1.00 0.00 C ATOM 545 C THR A 36 109.567 -9.006 6.469 1.00 0.00 C ATOM 546 O THR A 36 108.928 -8.713 5.478 1.00 0.00 O ATOM 547 CB THR A 36 108.345 -9.806 8.498 1.00 0.00 C ATOM 548 OG1 THR A 36 107.065 -9.940 7.895 1.00 0.00 O ATOM 549 CG2 THR A 36 108.181 -9.570 10.002 1.00 0.00 C ATOM 0 H THR A 36 107.240 -7.592 8.187 1.00 0.00 H new ATOM 0 HA THR A 36 109.934 -8.356 8.491 1.00 0.00 H new ATOM 0 HB THR A 36 108.921 -10.717 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.592 -10.699 8.297 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.657 -10.415 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 36 109.163 -9.468 10.464 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.606 -8.659 10.167 1.00 0.00 H new ATOM 557 N LYS A 37 110.694 -9.654 6.376 1.00 0.00 N ATOM 558 CA LYS A 37 111.221 -10.047 5.044 1.00 0.00 C ATOM 559 C LYS A 37 110.257 -11.032 4.372 1.00 0.00 C ATOM 560 O LYS A 37 109.936 -10.906 3.208 1.00 0.00 O ATOM 561 CB LYS A 37 112.585 -10.713 5.225 1.00 0.00 C ATOM 562 CG LYS A 37 112.416 -12.036 5.975 1.00 0.00 C ATOM 563 CD LYS A 37 113.793 -12.620 6.297 1.00 0.00 C ATOM 564 CE LYS A 37 113.664 -13.637 7.433 1.00 0.00 C ATOM 565 NZ LYS A 37 114.978 -13.786 8.118 1.00 0.00 N ATOM 0 H LYS A 37 111.274 -9.928 7.169 1.00 0.00 H new ATOM 0 HA LYS A 37 111.320 -9.162 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 37 113.046 -10.891 4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.253 -10.053 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.853 -11.876 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.844 -12.739 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.213 -13.099 5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.479 -11.823 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 37 112.906 -13.309 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.336 -14.599 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.891 -14.477 8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.690 -14.117 7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.273 -12.868 8.507 1.00 0.00 H new ATOM 579 N GLU A 38 109.806 -12.023 5.094 1.00 0.00 N ATOM 580 CA GLU A 38 108.881 -13.025 4.504 1.00 0.00 C ATOM 581 C GLU A 38 107.590 -12.350 4.032 1.00 0.00 C ATOM 582 O GLU A 38 106.786 -12.945 3.342 1.00 0.00 O ATOM 583 CB GLU A 38 108.543 -14.084 5.557 1.00 0.00 C ATOM 584 CG GLU A 38 108.428 -15.454 4.887 1.00 0.00 C ATOM 585 CD GLU A 38 109.706 -16.255 5.140 1.00 0.00 C ATOM 586 OE1 GLU A 38 110.644 -15.682 5.670 1.00 0.00 O ATOM 587 OE2 GLU A 38 109.726 -17.426 4.800 1.00 0.00 O ATOM 0 H GLU A 38 110.042 -12.180 6.074 1.00 0.00 H new ATOM 0 HA GLU A 38 109.368 -13.492 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 38 109.316 -14.107 6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.607 -13.831 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.565 -15.992 5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.267 -15.334 3.816 1.00 0.00 H new ATOM 594 N LYS A 39 107.375 -11.116 4.400 1.00 0.00 N ATOM 595 CA LYS A 39 106.131 -10.421 3.973 1.00 0.00 C ATOM 596 C LYS A 39 106.413 -9.588 2.718 1.00 0.00 C ATOM 597 O LYS A 39 105.722 -9.697 1.724 1.00 0.00 O ATOM 598 CB LYS A 39 105.656 -9.522 5.118 1.00 0.00 C ATOM 599 CG LYS A 39 104.688 -8.459 4.596 1.00 0.00 C ATOM 600 CD LYS A 39 103.987 -7.792 5.782 1.00 0.00 C ATOM 601 CE LYS A 39 102.515 -8.205 5.807 1.00 0.00 C ATOM 602 NZ LYS A 39 102.176 -8.737 7.156 1.00 0.00 N ATOM 0 H LYS A 39 108.007 -10.561 4.977 1.00 0.00 H new ATOM 0 HA LYS A 39 105.353 -11.147 3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.166 -10.125 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.513 -9.042 5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 39 105.228 -7.714 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.953 -8.914 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 39 104.472 -8.082 6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.070 -6.708 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 39 101.881 -7.350 5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.325 -8.962 5.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 102.214 -9.776 7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 102.859 -8.377 7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 101.218 -8.430 7.419 1.00 0.00 H new ATOM 616 N ALA A 40 107.424 -8.761 2.748 1.00 0.00 N ATOM 617 CA ALA A 40 107.743 -7.933 1.549 1.00 0.00 C ATOM 618 C ALA A 40 108.089 -8.847 0.370 1.00 0.00 C ATOM 619 O ALA A 40 107.917 -8.487 -0.777 1.00 0.00 O ATOM 620 CB ALA A 40 108.940 -7.029 1.852 1.00 0.00 C ATOM 0 H ALA A 40 108.041 -8.623 3.548 1.00 0.00 H new ATOM 0 HA ALA A 40 106.877 -7.321 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.171 -6.425 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.699 -6.375 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.804 -7.643 2.108 1.00 0.00 H new ATOM 626 N ALA A 41 108.579 -10.026 0.644 1.00 0.00 N ATOM 627 CA ALA A 41 108.939 -10.959 -0.462 1.00 0.00 C ATOM 628 C ALA A 41 107.681 -11.332 -1.248 1.00 0.00 C ATOM 629 O ALA A 41 107.712 -11.482 -2.453 1.00 0.00 O ATOM 630 CB ALA A 41 109.569 -12.224 0.121 1.00 0.00 C ATOM 0 H ALA A 41 108.745 -10.383 1.585 1.00 0.00 H new ATOM 0 HA ALA A 41 109.651 -10.472 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.832 -12.906 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.467 -11.959 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.858 -12.710 0.788 1.00 0.00 H new ATOM 636 N LEU A 42 106.577 -11.481 -0.574 1.00 0.00 N ATOM 637 CA LEU A 42 105.317 -11.844 -1.281 1.00 0.00 C ATOM 638 C LEU A 42 104.758 -10.609 -1.986 1.00 0.00 C ATOM 639 O LEU A 42 104.194 -10.694 -3.059 1.00 0.00 O ATOM 640 CB LEU A 42 104.292 -12.359 -0.268 1.00 0.00 C ATOM 641 CG LEU A 42 104.746 -13.713 0.277 1.00 0.00 C ATOM 642 CD1 LEU A 42 103.858 -14.112 1.456 1.00 0.00 C ATOM 643 CD2 LEU A 42 104.633 -14.768 -0.826 1.00 0.00 C ATOM 0 H LEU A 42 106.491 -11.367 0.436 1.00 0.00 H new ATOM 0 HA LEU A 42 105.524 -12.622 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.182 -11.645 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.315 -12.455 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 42 105.781 -13.643 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.182 -15.078 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 42 103.936 -13.360 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.822 -14.183 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 42 104.956 -15.735 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 42 103.597 -14.838 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 42 105.265 -14.484 -1.667 1.00 0.00 H new ATOM 655 N LEU A 43 104.910 -9.458 -1.391 1.00 0.00 N ATOM 656 CA LEU A 43 104.389 -8.216 -2.026 1.00 0.00 C ATOM 657 C LEU A 43 105.351 -7.764 -3.123 1.00 0.00 C ATOM 658 O LEU A 43 105.025 -6.934 -3.948 1.00 0.00 O ATOM 659 CB LEU A 43 104.253 -7.124 -0.966 1.00 0.00 C ATOM 660 CG LEU A 43 103.560 -7.706 0.268 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.146 -6.573 1.207 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.318 -8.488 -0.167 1.00 0.00 C ATOM 0 H LEU A 43 105.373 -9.324 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 43 103.411 -8.410 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.236 -6.737 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.677 -6.287 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 43 104.247 -8.373 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.653 -6.990 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.030 -6.016 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.459 -5.904 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.823 -8.903 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.632 -7.821 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.613 -9.298 -0.834 1.00 0.00 H new ATOM 674 N TYR A 44 106.533 -8.314 -3.149 1.00 0.00 N ATOM 675 CA TYR A 44 107.509 -7.931 -4.205 1.00 0.00 C ATOM 676 C TYR A 44 106.993 -8.461 -5.547 1.00 0.00 C ATOM 677 O TYR A 44 106.771 -7.716 -6.483 1.00 0.00 O ATOM 678 CB TYR A 44 108.872 -8.559 -3.877 1.00 0.00 C ATOM 679 CG TYR A 44 109.991 -7.919 -4.686 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.883 -7.786 -6.078 1.00 0.00 C ATOM 681 CD2 TYR A 44 111.162 -7.500 -4.038 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.936 -7.234 -6.817 1.00 0.00 C ATOM 683 CE2 TYR A 44 112.218 -6.954 -4.782 1.00 0.00 C ATOM 684 CZ TYR A 44 112.103 -6.822 -6.170 1.00 0.00 C ATOM 685 OH TYR A 44 113.141 -6.284 -6.902 1.00 0.00 O ATOM 0 H TYR A 44 106.865 -9.013 -2.484 1.00 0.00 H new ATOM 0 HA TYR A 44 107.622 -6.848 -4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.080 -8.445 -2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.839 -9.629 -4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 44 108.984 -8.111 -6.581 1.00 0.00 H new ATOM 0 HD2 TYR A 44 111.251 -7.598 -2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.846 -7.127 -7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 44 113.121 -6.635 -4.283 1.00 0.00 H new ATOM 0 HH TYR A 44 113.197 -5.321 -6.731 1.00 0.00 H new ATOM 695 N LYS A 45 106.792 -9.747 -5.647 1.00 0.00 N ATOM 696 CA LYS A 45 106.288 -10.327 -6.924 1.00 0.00 C ATOM 697 C LYS A 45 104.799 -10.006 -7.087 1.00 0.00 C ATOM 698 O LYS A 45 104.341 -9.680 -8.164 1.00 0.00 O ATOM 699 CB LYS A 45 106.483 -11.844 -6.903 1.00 0.00 C ATOM 700 CG LYS A 45 106.360 -12.397 -8.325 1.00 0.00 C ATOM 701 CD LYS A 45 107.662 -13.099 -8.715 1.00 0.00 C ATOM 702 CE LYS A 45 107.361 -14.217 -9.713 1.00 0.00 C ATOM 703 NZ LYS A 45 108.540 -14.424 -10.600 1.00 0.00 N ATOM 0 H LYS A 45 106.955 -10.421 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 45 106.841 -9.897 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 45 107.461 -12.089 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.738 -12.308 -6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 45 105.526 -13.096 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 45 106.147 -11.588 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 45 108.356 -12.383 -9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 45 108.146 -13.509 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 45 107.126 -15.139 -9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 45 106.485 -13.961 -10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 108.335 -15.185 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 108.744 -13.545 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.365 -14.687 -10.025 1.00 0.00 H new ATOM 717 N LYS A 46 104.037 -10.097 -6.029 1.00 0.00 N ATOM 718 CA LYS A 46 102.579 -9.799 -6.132 1.00 0.00 C ATOM 719 C LYS A 46 102.381 -8.383 -6.673 1.00 0.00 C ATOM 720 O LYS A 46 101.663 -8.167 -7.629 1.00 0.00 O ATOM 721 CB LYS A 46 101.943 -9.902 -4.747 1.00 0.00 C ATOM 722 CG LYS A 46 101.808 -11.372 -4.352 1.00 0.00 C ATOM 723 CD LYS A 46 100.967 -11.482 -3.079 1.00 0.00 C ATOM 724 CE LYS A 46 100.213 -12.812 -3.077 1.00 0.00 C ATOM 725 NZ LYS A 46 99.697 -13.090 -1.707 1.00 0.00 N ATOM 0 H LYS A 46 104.361 -10.364 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 46 102.110 -10.515 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.554 -9.373 -4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.963 -9.424 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 46 101.340 -11.935 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.794 -11.808 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 46 101.608 -11.414 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.262 -10.652 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.387 -12.775 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 46 100.874 -13.617 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.184 -13.995 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 100.493 -13.143 -1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 99.053 -12.327 -1.417 1.00 0.00 H new ATOM 739 N ILE A 47 103.010 -7.420 -6.062 1.00 0.00 N ATOM 740 CA ILE A 47 102.869 -6.010 -6.526 1.00 0.00 C ATOM 741 C ILE A 47 103.377 -5.886 -7.963 1.00 0.00 C ATOM 742 O ILE A 47 102.866 -5.113 -8.750 1.00 0.00 O ATOM 743 CB ILE A 47 103.707 -5.101 -5.628 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.142 -5.113 -4.197 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.711 -3.677 -6.198 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.001 -4.102 -4.057 1.00 0.00 C ATOM 0 H ILE A 47 103.621 -7.549 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 47 101.819 -5.720 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 47 104.733 -5.467 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.782 -6.112 -3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.934 -4.876 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.309 -3.030 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.137 -3.688 -7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.689 -3.300 -6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.616 -4.127 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.372 -3.102 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.202 -4.357 -4.753 1.00 0.00 H new ATOM 758 N MET A 48 104.393 -6.628 -8.307 1.00 0.00 N ATOM 759 CA MET A 48 104.955 -6.542 -9.686 1.00 0.00 C ATOM 760 C MET A 48 103.877 -6.843 -10.735 1.00 0.00 C ATOM 761 O MET A 48 104.081 -6.632 -11.915 1.00 0.00 O ATOM 762 CB MET A 48 106.095 -7.552 -9.830 1.00 0.00 C ATOM 763 CG MET A 48 107.362 -6.830 -10.287 1.00 0.00 C ATOM 764 SD MET A 48 108.403 -7.973 -11.228 1.00 0.00 S ATOM 765 CE MET A 48 109.657 -8.242 -9.950 1.00 0.00 C ATOM 0 H MET A 48 104.860 -7.293 -7.691 1.00 0.00 H new ATOM 0 HA MET A 48 105.325 -5.530 -9.848 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.273 -8.054 -8.879 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.823 -8.323 -10.551 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.101 -5.969 -10.902 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.909 -6.451 -9.424 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.175 -9.182 -10.141 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.375 -7.422 -9.966 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.177 -8.284 -8.972 1.00 0.00 H new ATOM 775 N GLU A 49 102.740 -7.343 -10.335 1.00 0.00 N ATOM 776 CA GLU A 49 101.683 -7.658 -11.339 1.00 0.00 C ATOM 777 C GLU A 49 100.432 -6.806 -11.097 1.00 0.00 C ATOM 778 O GLU A 49 99.654 -6.572 -12.001 1.00 0.00 O ATOM 779 CB GLU A 49 101.313 -9.138 -11.241 1.00 0.00 C ATOM 780 CG GLU A 49 101.823 -9.870 -12.483 1.00 0.00 C ATOM 781 CD GLU A 49 100.666 -10.082 -13.462 1.00 0.00 C ATOM 782 OE1 GLU A 49 100.400 -9.179 -14.239 1.00 0.00 O ATOM 783 OE2 GLU A 49 100.066 -11.143 -13.419 1.00 0.00 O ATOM 0 H GLU A 49 102.498 -7.546 -9.365 1.00 0.00 H new ATOM 0 HA GLU A 49 102.071 -7.435 -12.333 1.00 0.00 H new ATOM 0 HB2 GLU A 49 101.749 -9.575 -10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.232 -9.250 -11.157 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.615 -9.292 -12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.255 -10.830 -12.201 1.00 0.00 H new ATOM 790 N LYS A 50 100.215 -6.351 -9.894 1.00 0.00 N ATOM 791 CA LYS A 50 98.999 -5.534 -9.629 1.00 0.00 C ATOM 792 C LYS A 50 99.275 -4.073 -9.971 1.00 0.00 C ATOM 793 O LYS A 50 98.366 -3.304 -10.214 1.00 0.00 O ATOM 794 CB LYS A 50 98.591 -5.629 -8.153 1.00 0.00 C ATOM 795 CG LYS A 50 99.232 -6.844 -7.486 1.00 0.00 C ATOM 796 CD LYS A 50 98.196 -7.532 -6.596 1.00 0.00 C ATOM 797 CE LYS A 50 98.899 -8.216 -5.425 1.00 0.00 C ATOM 798 NZ LYS A 50 98.996 -9.679 -5.691 1.00 0.00 N ATOM 0 H LYS A 50 100.822 -6.508 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 50 98.189 -5.918 -10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.892 -4.721 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 50 97.506 -5.697 -8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 50 99.598 -7.538 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 50 100.093 -6.536 -6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 50 97.478 -6.801 -6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 50 97.634 -8.265 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.894 -7.794 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.347 -8.039 -4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 99.151 -10.185 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.113 -10.012 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.792 -9.863 -6.335 1.00 0.00 H new ATOM 812 N TYR A 51 100.514 -3.675 -9.988 1.00 0.00 N ATOM 813 CA TYR A 51 100.813 -2.256 -10.310 1.00 0.00 C ATOM 814 C TYR A 51 102.016 -2.160 -11.250 1.00 0.00 C ATOM 815 O TYR A 51 102.452 -1.079 -11.589 1.00 0.00 O ATOM 816 CB TYR A 51 101.119 -1.491 -9.021 1.00 0.00 C ATOM 817 CG TYR A 51 99.940 -1.589 -8.084 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.838 -2.671 -7.204 1.00 0.00 C ATOM 819 CD2 TYR A 51 98.947 -0.602 -8.098 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.745 -2.768 -6.338 1.00 0.00 C ATOM 821 CE2 TYR A 51 97.854 -0.698 -7.234 1.00 0.00 C ATOM 822 CZ TYR A 51 97.751 -1.781 -6.353 1.00 0.00 C ATOM 823 OH TYR A 51 96.671 -1.877 -5.499 1.00 0.00 O ATOM 0 H TYR A 51 101.324 -4.264 -9.795 1.00 0.00 H new ATOM 0 HA TYR A 51 99.943 -1.821 -10.803 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.010 -1.901 -8.545 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.331 -0.446 -9.248 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.604 -3.432 -7.193 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.026 0.234 -8.777 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.667 -3.603 -5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.088 0.063 -7.246 1.00 0.00 H new ATOM 0 HH TYR A 51 96.076 -1.111 -5.637 1.00 0.00 H new ATOM 833 N SER A 52 102.565 -3.269 -11.672 1.00 0.00 N ATOM 834 CA SER A 52 103.745 -3.203 -12.583 1.00 0.00 C ATOM 835 C SER A 52 104.716 -2.146 -12.051 1.00 0.00 C ATOM 836 O SER A 52 105.157 -1.272 -12.770 1.00 0.00 O ATOM 837 CB SER A 52 103.287 -2.816 -13.988 1.00 0.00 C ATOM 838 OG SER A 52 101.923 -3.182 -14.155 1.00 0.00 O ATOM 0 H SER A 52 102.251 -4.208 -11.428 1.00 0.00 H new ATOM 0 HA SER A 52 104.238 -4.174 -12.624 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.409 -1.744 -14.140 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.904 -3.316 -14.735 1.00 0.00 H new ATOM 0 HG SER A 52 101.625 -2.933 -15.055 1.00 0.00 H new ATOM 844 N VAL A 53 105.026 -2.217 -10.785 1.00 0.00 N ATOM 845 CA VAL A 53 105.946 -1.220 -10.165 1.00 0.00 C ATOM 846 C VAL A 53 107.066 -0.834 -11.126 1.00 0.00 C ATOM 847 O VAL A 53 107.597 -1.655 -11.848 1.00 0.00 O ATOM 848 CB VAL A 53 106.565 -1.816 -8.905 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.523 -1.837 -7.791 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.037 -3.244 -9.191 1.00 0.00 C ATOM 0 H VAL A 53 104.677 -2.932 -10.146 1.00 0.00 H new ATOM 0 HA VAL A 53 105.367 -0.329 -9.922 1.00 0.00 H new ATOM 0 HB VAL A 53 107.417 -1.210 -8.597 1.00 0.00 H new ATOM 0 HG11 VAL A 53 105.963 -2.263 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.189 -0.820 -7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.672 -2.443 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.479 -3.668 -8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.187 -3.853 -9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.781 -3.229 -9.987 1.00 0.00 H new ATOM 860 N THR A 54 107.443 0.413 -11.116 1.00 0.00 N ATOM 861 CA THR A 54 108.545 0.866 -11.998 1.00 0.00 C ATOM 862 C THR A 54 109.863 0.367 -11.401 1.00 0.00 C ATOM 863 O THR A 54 110.774 -0.020 -12.105 1.00 0.00 O ATOM 864 CB THR A 54 108.531 2.393 -12.072 1.00 0.00 C ATOM 865 OG1 THR A 54 107.318 2.822 -12.674 1.00 0.00 O ATOM 866 CG2 THR A 54 109.713 2.875 -12.909 1.00 0.00 C ATOM 0 H THR A 54 107.031 1.139 -10.530 1.00 0.00 H new ATOM 0 HA THR A 54 108.428 0.470 -13.007 1.00 0.00 H new ATOM 0 HB THR A 54 108.608 2.808 -11.067 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.305 3.801 -12.722 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.702 3.964 -12.961 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.644 2.543 -12.449 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.638 2.463 -13.915 1.00 0.00 H new ATOM 874 N PHE A 55 109.942 0.332 -10.098 1.00 0.00 N ATOM 875 CA PHE A 55 111.167 -0.189 -9.426 1.00 0.00 C ATOM 876 C PHE A 55 110.748 -0.817 -8.102 1.00 0.00 C ATOM 877 O PHE A 55 110.091 -0.191 -7.289 1.00 0.00 O ATOM 878 CB PHE A 55 112.186 0.931 -9.153 1.00 0.00 C ATOM 879 CG PHE A 55 113.344 0.377 -8.335 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.165 0.063 -6.982 1.00 0.00 C ATOM 881 CD2 PHE A 55 114.594 0.163 -8.933 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.227 -0.464 -6.230 1.00 0.00 C ATOM 883 CE2 PHE A 55 115.651 -0.366 -8.186 1.00 0.00 C ATOM 884 CZ PHE A 55 115.468 -0.682 -6.835 1.00 0.00 C ATOM 0 H PHE A 55 109.205 0.644 -9.466 1.00 0.00 H new ATOM 0 HA PHE A 55 111.644 -0.919 -10.080 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.554 1.339 -10.094 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.707 1.750 -8.616 1.00 0.00 H new ATOM 0 HD1 PHE A 55 112.205 0.227 -6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 55 114.741 0.408 -9.975 1.00 0.00 H new ATOM 0 HE1 PHE A 55 114.085 -0.701 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 55 116.611 -0.531 -8.653 1.00 0.00 H new ATOM 0 HZ PHE A 55 116.285 -1.094 -6.261 1.00 0.00 H new ATOM 894 N ILE A 56 111.111 -2.047 -7.872 1.00 0.00 N ATOM 895 CA ILE A 56 110.724 -2.699 -6.599 1.00 0.00 C ATOM 896 C ILE A 56 111.942 -3.423 -6.034 1.00 0.00 C ATOM 897 O ILE A 56 112.721 -3.996 -6.763 1.00 0.00 O ATOM 898 CB ILE A 56 109.584 -3.685 -6.864 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.388 -4.600 -5.652 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.914 -4.532 -8.094 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.919 -5.000 -5.563 1.00 0.00 C ATOM 0 H ILE A 56 111.657 -2.625 -8.511 1.00 0.00 H new ATOM 0 HA ILE A 56 110.381 -1.958 -5.877 1.00 0.00 H new ATOM 0 HB ILE A 56 108.665 -3.126 -7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.015 -5.487 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.694 -4.087 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.101 -5.234 -8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.039 -3.882 -8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.837 -5.085 -7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.771 -5.652 -4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.305 -4.107 -5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 56 107.630 -5.528 -6.472 1.00 0.00 H new ATOM 913 N SER A 57 112.133 -3.387 -4.744 1.00 0.00 N ATOM 914 CA SER A 57 113.325 -4.065 -4.165 1.00 0.00 C ATOM 915 C SER A 57 113.052 -4.480 -2.718 1.00 0.00 C ATOM 916 O SER A 57 111.952 -4.366 -2.217 1.00 0.00 O ATOM 917 CB SER A 57 114.512 -3.103 -4.189 1.00 0.00 C ATOM 918 OG SER A 57 115.012 -3.005 -5.515 1.00 0.00 O ATOM 0 H SER A 57 111.522 -2.922 -4.072 1.00 0.00 H new ATOM 0 HA SER A 57 113.546 -4.954 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.205 -2.120 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 57 115.295 -3.457 -3.518 1.00 0.00 H new ATOM 0 HG SER A 57 115.051 -2.063 -5.781 1.00 0.00 H new ATOM 924 N ARG A 58 114.063 -4.955 -2.047 1.00 0.00 N ATOM 925 CA ARG A 58 113.911 -5.376 -0.629 1.00 0.00 C ATOM 926 C ARG A 58 115.260 -5.185 0.070 1.00 0.00 C ATOM 927 O ARG A 58 116.267 -5.713 -0.360 1.00 0.00 O ATOM 928 CB ARG A 58 113.502 -6.850 -0.570 1.00 0.00 C ATOM 929 CG ARG A 58 113.334 -7.275 0.891 1.00 0.00 C ATOM 930 CD ARG A 58 112.719 -8.674 0.949 1.00 0.00 C ATOM 931 NE ARG A 58 113.698 -9.669 0.427 1.00 0.00 N ATOM 932 CZ ARG A 58 113.645 -10.909 0.831 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.497 -11.526 0.895 1.00 0.00 N ATOM 934 NH2 ARG A 58 114.740 -11.533 1.169 1.00 0.00 N ATOM 0 H ARG A 58 115.002 -5.071 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 58 113.142 -4.780 -0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.569 -7.002 -1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.258 -7.468 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 58 114.300 -7.270 1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.696 -6.564 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 58 112.446 -8.921 1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.803 -8.705 0.359 1.00 0.00 H new ATOM 0 HE ARG A 58 114.409 -9.381 -0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 58 111.641 -11.039 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 58 112.456 -12.495 1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 58 115.638 -11.052 1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 58 114.698 -12.502 1.485 1.00 0.00 H new ATOM 948 N HIS A 59 115.302 -4.421 1.126 1.00 0.00 N ATOM 949 CA HIS A 59 116.603 -4.194 1.818 1.00 0.00 C ATOM 950 C HIS A 59 116.488 -4.567 3.297 1.00 0.00 C ATOM 951 O HIS A 59 115.444 -4.974 3.769 1.00 0.00 O ATOM 952 CB HIS A 59 116.987 -2.718 1.695 1.00 0.00 C ATOM 953 CG HIS A 59 117.054 -2.336 0.243 1.00 0.00 C ATOM 954 ND1 HIS A 59 118.190 -1.779 -0.324 1.00 0.00 N ATOM 955 CD2 HIS A 59 116.133 -2.421 -0.772 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.926 -1.553 -1.624 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.686 -1.926 -1.949 1.00 0.00 N ATOM 0 H HIS A 59 114.498 -3.947 1.538 1.00 0.00 H new ATOM 0 HA HIS A 59 117.367 -4.818 1.355 1.00 0.00 H new ATOM 0 HB2 HIS A 59 116.256 -2.097 2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.950 -2.541 2.173 1.00 0.00 H new ATOM 0 HD2 HIS A 59 115.131 -2.813 -0.672 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.631 -1.122 -2.320 1.00 0.00 H new ATOM 0 HE2 HIS A 59 116.240 -1.862 -2.864 1.00 0.00 H new ATOM 965 N ASN A 60 117.559 -4.427 4.031 1.00 0.00 N ATOM 966 CA ASN A 60 117.525 -4.767 5.482 1.00 0.00 C ATOM 967 C ASN A 60 117.743 -3.495 6.304 1.00 0.00 C ATOM 968 O ASN A 60 118.476 -2.609 5.910 1.00 0.00 O ATOM 969 CB ASN A 60 118.638 -5.768 5.800 1.00 0.00 C ATOM 970 CG ASN A 60 118.208 -7.171 5.370 1.00 0.00 C ATOM 971 OD1 ASN A 60 117.116 -7.607 5.677 1.00 0.00 O ATOM 972 ND2 ASN A 60 119.028 -7.903 4.668 1.00 0.00 N ATOM 0 H ASN A 60 118.458 -4.091 3.687 1.00 0.00 H new ATOM 0 HA ASN A 60 116.558 -5.206 5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.555 -5.484 5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.857 -5.756 6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.753 -8.841 4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 60 119.945 -7.537 4.410 1.00 0.00 H new ATOM 979 N SER A 61 117.115 -3.397 7.443 1.00 0.00 N ATOM 980 CA SER A 61 117.293 -2.179 8.285 1.00 0.00 C ATOM 981 C SER A 61 117.887 -2.576 9.637 1.00 0.00 C ATOM 982 O SER A 61 119.067 -2.413 9.877 1.00 0.00 O ATOM 983 CB SER A 61 115.939 -1.504 8.500 1.00 0.00 C ATOM 984 OG SER A 61 114.929 -2.498 8.612 1.00 0.00 O ATOM 0 H SER A 61 116.488 -4.104 7.827 1.00 0.00 H new ATOM 0 HA SER A 61 117.967 -1.486 7.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.964 -0.892 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.717 -0.836 7.668 1.00 0.00 H new ATOM 0 HG SER A 61 114.060 -2.067 8.751 1.00 0.00 H new ATOM 990 N TYR A 62 117.081 -3.093 10.522 1.00 0.00 N ATOM 991 CA TYR A 62 117.606 -3.496 11.856 1.00 0.00 C ATOM 992 C TYR A 62 116.836 -4.716 12.363 1.00 0.00 C ATOM 993 O TYR A 62 117.404 -5.625 12.935 1.00 0.00 O ATOM 994 CB TYR A 62 117.433 -2.340 12.843 1.00 0.00 C ATOM 995 CG TYR A 62 117.918 -1.058 12.211 1.00 0.00 C ATOM 996 CD1 TYR A 62 119.264 -0.688 12.320 1.00 0.00 C ATOM 997 CD2 TYR A 62 117.021 -0.236 11.517 1.00 0.00 C ATOM 998 CE1 TYR A 62 119.712 0.501 11.735 1.00 0.00 C ATOM 999 CE2 TYR A 62 117.469 0.952 10.933 1.00 0.00 C ATOM 1000 CZ TYR A 62 118.815 1.321 11.041 1.00 0.00 C ATOM 1001 OH TYR A 62 119.258 2.495 10.464 1.00 0.00 O ATOM 0 H TYR A 62 116.084 -3.254 10.380 1.00 0.00 H new ATOM 0 HA TYR A 62 118.663 -3.745 11.768 1.00 0.00 H new ATOM 0 HB2 TYR A 62 116.385 -2.244 13.126 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.993 -2.541 13.756 1.00 0.00 H new ATOM 0 HD1 TYR A 62 119.956 -1.321 12.856 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.983 -0.520 11.433 1.00 0.00 H new ATOM 0 HE1 TYR A 62 120.750 0.786 11.819 1.00 0.00 H new ATOM 0 HE2 TYR A 62 116.777 1.585 10.398 1.00 0.00 H new ATOM 0 HH TYR A 62 118.717 2.694 9.671 1.00 0.00 H new ATOM 1011 N ASN A 63 115.546 -4.742 12.165 1.00 0.00 N ATOM 1012 CA ASN A 63 114.746 -5.904 12.646 1.00 0.00 C ATOM 1013 C ASN A 63 113.876 -6.454 11.514 1.00 0.00 C ATOM 1014 O ASN A 63 113.319 -7.528 11.622 1.00 0.00 O ATOM 1015 CB ASN A 63 113.850 -5.457 13.802 1.00 0.00 C ATOM 1016 CG ASN A 63 114.656 -4.586 14.766 1.00 0.00 C ATOM 1017 OD1 ASN A 63 114.830 -3.405 14.536 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.161 -5.121 15.843 1.00 0.00 N ATOM 0 H ASN A 63 115.013 -4.012 11.693 1.00 0.00 H new ATOM 0 HA ASN A 63 115.425 -6.687 12.983 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.996 -4.899 13.419 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.454 -6.327 14.326 1.00 0.00 H new ATOM 0 HD21 ASN A 63 115.701 -4.549 16.492 1.00 0.00 H new ATOM 0 HD22 ASN A 63 115.015 -6.112 16.037 1.00 0.00 H new ATOM 1025 N HIS A 64 113.742 -5.735 10.431 1.00 0.00 N ATOM 1026 CA HIS A 64 112.892 -6.244 9.316 1.00 0.00 C ATOM 1027 C HIS A 64 113.432 -5.757 7.971 1.00 0.00 C ATOM 1028 O HIS A 64 114.515 -5.214 7.883 1.00 0.00 O ATOM 1029 CB HIS A 64 111.458 -5.755 9.512 1.00 0.00 C ATOM 1030 CG HIS A 64 110.888 -6.410 10.738 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.315 -5.683 11.767 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.812 -7.726 11.122 1.00 0.00 C ATOM 1033 CE1 HIS A 64 109.924 -6.556 12.712 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.203 -7.815 12.370 1.00 0.00 N ATOM 0 H HIS A 64 114.179 -4.827 10.271 1.00 0.00 H new ATOM 0 HA HIS A 64 112.909 -7.334 9.320 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.440 -4.671 9.620 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.853 -5.998 8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 64 111.170 -8.565 10.543 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.442 -6.272 13.636 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.011 -8.660 12.907 1.00 0.00 H new ATOM 1042 N ASN A 65 112.689 -5.967 6.916 1.00 0.00 N ATOM 1043 CA ASN A 65 113.166 -5.537 5.572 1.00 0.00 C ATOM 1044 C ASN A 65 112.269 -4.428 5.018 1.00 0.00 C ATOM 1045 O ASN A 65 111.110 -4.315 5.366 1.00 0.00 O ATOM 1046 CB ASN A 65 113.135 -6.733 4.620 1.00 0.00 C ATOM 1047 CG ASN A 65 114.436 -7.523 4.755 1.00 0.00 C ATOM 1048 OD1 ASN A 65 115.321 -7.402 3.932 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.593 -8.332 5.767 1.00 0.00 N ATOM 0 H ASN A 65 111.774 -6.417 6.929 1.00 0.00 H new ATOM 0 HA ASN A 65 114.184 -5.157 5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.283 -7.373 4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.009 -6.391 3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.459 -8.862 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.850 -8.434 6.458 1.00 0.00 H new ATOM 1056 N ILE A 66 112.802 -3.619 4.144 1.00 0.00 N ATOM 1057 CA ILE A 66 111.997 -2.519 3.542 1.00 0.00 C ATOM 1058 C ILE A 66 111.659 -2.895 2.097 1.00 0.00 C ATOM 1059 O ILE A 66 112.521 -3.270 1.328 1.00 0.00 O ATOM 1060 CB ILE A 66 112.814 -1.220 3.570 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.715 -0.591 4.962 1.00 0.00 C ATOM 1062 CG2 ILE A 66 112.274 -0.233 2.529 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.815 -1.160 5.859 1.00 0.00 C ATOM 0 H ILE A 66 113.767 -3.673 3.819 1.00 0.00 H new ATOM 0 HA ILE A 66 111.076 -2.370 4.106 1.00 0.00 H new ATOM 0 HB ILE A 66 113.854 -1.448 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.813 0.492 4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.736 -0.794 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.862 0.685 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 66 112.344 -0.677 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 66 111.232 -0.004 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.744 -0.712 6.850 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.696 -2.240 5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.790 -0.934 5.427 1.00 0.00 H new ATOM 1075 N LEU A 67 110.415 -2.802 1.719 1.00 0.00 N ATOM 1076 CA LEU A 67 110.045 -3.162 0.324 1.00 0.00 C ATOM 1077 C LEU A 67 109.800 -1.895 -0.494 1.00 0.00 C ATOM 1078 O LEU A 67 109.089 -0.999 -0.086 1.00 0.00 O ATOM 1079 CB LEU A 67 108.775 -4.017 0.319 1.00 0.00 C ATOM 1080 CG LEU A 67 108.211 -4.082 -1.106 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.274 -4.629 -2.056 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.991 -4.998 -1.135 1.00 0.00 C ATOM 0 H LEU A 67 109.644 -2.494 2.312 1.00 0.00 H new ATOM 0 HA LEU A 67 110.865 -3.729 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.998 -5.021 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 67 108.034 -3.592 0.996 1.00 0.00 H new ATOM 0 HG LEU A 67 107.922 -3.079 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.870 -4.674 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.146 -3.975 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.566 -5.630 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.593 -5.042 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.280 -5.999 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.227 -4.608 -0.462 1.00 0.00 H new ATOM 1094 N PHE A 68 110.369 -1.838 -1.661 1.00 0.00 N ATOM 1095 CA PHE A 68 110.166 -0.660 -2.542 1.00 0.00 C ATOM 1096 C PHE A 68 109.212 -1.057 -3.659 1.00 0.00 C ATOM 1097 O PHE A 68 109.343 -2.116 -4.228 1.00 0.00 O ATOM 1098 CB PHE A 68 111.481 -0.284 -3.222 1.00 0.00 C ATOM 1099 CG PHE A 68 112.389 0.489 -2.305 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.876 1.406 -1.379 1.00 0.00 C ATOM 1101 CD2 PHE A 68 113.766 0.300 -2.412 1.00 0.00 C ATOM 1102 CE1 PHE A 68 112.749 2.124 -0.561 1.00 0.00 C ATOM 1103 CE2 PHE A 68 114.637 1.016 -1.601 1.00 0.00 C ATOM 1104 CZ PHE A 68 114.133 1.932 -0.671 1.00 0.00 C ATOM 0 H PHE A 68 110.972 -2.565 -2.046 1.00 0.00 H new ATOM 0 HA PHE A 68 109.787 0.167 -1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 68 111.988 -1.189 -3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 68 111.272 0.311 -4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.810 1.557 -1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 68 114.157 -0.407 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 68 112.358 2.829 0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 68 115.703 0.866 -1.688 1.00 0.00 H new ATOM 0 HZ PHE A 68 114.809 2.490 -0.040 1.00 0.00 H new ATOM 1114 N PHE A 69 108.282 -0.229 -4.015 1.00 0.00 N ATOM 1115 CA PHE A 69 107.404 -0.609 -5.146 1.00 0.00 C ATOM 1116 C PHE A 69 106.640 0.608 -5.652 1.00 0.00 C ATOM 1117 O PHE A 69 105.651 1.040 -5.088 1.00 0.00 O ATOM 1118 CB PHE A 69 106.474 -1.758 -4.745 1.00 0.00 C ATOM 1119 CG PHE A 69 105.223 -1.268 -4.068 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.228 -1.058 -2.690 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.045 -1.084 -4.804 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.056 -0.657 -2.041 1.00 0.00 C ATOM 1123 CE2 PHE A 69 102.871 -0.693 -4.158 1.00 0.00 C ATOM 1124 CZ PHE A 69 102.873 -0.480 -2.775 1.00 0.00 C ATOM 0 H PHE A 69 108.092 0.676 -3.584 1.00 0.00 H new ATOM 0 HA PHE A 69 108.018 -0.972 -5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.204 -2.331 -5.632 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.005 -2.436 -4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.136 -1.205 -2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.045 -1.245 -5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.061 -0.484 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 69 101.962 -0.555 -4.725 1.00 0.00 H new ATOM 0 HZ PHE A 69 101.965 -0.180 -2.273 1.00 0.00 H new ATOM 1134 N LEU A 70 107.119 1.164 -6.733 1.00 0.00 N ATOM 1135 CA LEU A 70 106.454 2.351 -7.327 1.00 0.00 C ATOM 1136 C LEU A 70 105.302 1.866 -8.190 1.00 0.00 C ATOM 1137 O LEU A 70 104.935 0.710 -8.155 1.00 0.00 O ATOM 1138 CB LEU A 70 107.440 3.114 -8.211 1.00 0.00 C ATOM 1139 CG LEU A 70 108.660 3.527 -7.392 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.917 3.379 -8.249 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.503 4.987 -6.959 1.00 0.00 C ATOM 0 H LEU A 70 107.949 0.841 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 70 106.099 3.009 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 70 107.748 2.490 -9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 70 106.958 3.996 -8.631 1.00 0.00 H new ATOM 0 HG LEU A 70 108.746 2.892 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 70 110.791 3.673 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 70 110.023 2.341 -8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.835 4.018 -9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.372 5.288 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 70 108.423 5.622 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.603 5.092 -6.353 1.00 0.00 H new ATOM 1153 N THR A 71 104.734 2.732 -8.971 1.00 0.00 N ATOM 1154 CA THR A 71 103.610 2.304 -9.839 1.00 0.00 C ATOM 1155 C THR A 71 103.432 3.306 -10.985 1.00 0.00 C ATOM 1156 O THR A 71 103.706 4.479 -10.826 1.00 0.00 O ATOM 1157 CB THR A 71 102.329 2.250 -9.005 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.156 3.500 -8.354 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.431 1.135 -7.955 1.00 0.00 C ATOM 0 H THR A 71 104.997 3.715 -9.047 1.00 0.00 H new ATOM 0 HA THR A 71 103.823 1.319 -10.255 1.00 0.00 H new ATOM 0 HB THR A 71 101.478 2.044 -9.655 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.205 3.735 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.514 1.105 -7.366 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.573 0.177 -8.455 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.278 1.331 -7.297 1.00 0.00 H new ATOM 1167 N PRO A 72 102.969 2.811 -12.105 1.00 0.00 N ATOM 1168 CA PRO A 72 102.731 3.638 -13.298 1.00 0.00 C ATOM 1169 C PRO A 72 101.441 4.442 -13.122 1.00 0.00 C ATOM 1170 O PRO A 72 101.472 5.640 -12.920 1.00 0.00 O ATOM 1171 CB PRO A 72 102.604 2.616 -14.430 1.00 0.00 C ATOM 1172 CG PRO A 72 102.222 1.273 -13.763 1.00 0.00 C ATOM 1173 CD PRO A 72 102.636 1.382 -12.283 1.00 0.00 C ATOM 0 HA PRO A 72 103.520 4.365 -13.490 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.844 2.924 -15.148 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.542 2.525 -14.978 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.152 1.086 -13.853 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.733 0.441 -14.248 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.827 1.076 -11.619 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.490 0.743 -12.060 1.00 0.00 H new ATOM 1181 N HIS A 73 100.305 3.798 -13.180 1.00 0.00 N ATOM 1182 CA HIS A 73 99.034 4.548 -12.995 1.00 0.00 C ATOM 1183 C HIS A 73 99.057 5.203 -11.613 1.00 0.00 C ATOM 1184 O HIS A 73 99.929 4.936 -10.811 1.00 0.00 O ATOM 1185 CB HIS A 73 97.829 3.601 -13.119 1.00 0.00 C ATOM 1186 CG HIS A 73 97.956 2.442 -12.163 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.081 2.264 -11.100 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.828 1.382 -12.109 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.444 1.135 -10.459 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.503 0.559 -11.033 1.00 0.00 N ATOM 0 H HIS A 73 100.205 2.797 -13.346 1.00 0.00 H new ATOM 0 HA HIS A 73 98.939 5.312 -13.766 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.909 4.148 -12.914 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.757 3.229 -14.141 1.00 0.00 H new ATOM 0 HD1 HIS A 73 96.305 2.876 -10.850 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.643 1.212 -12.797 1.00 0.00 H new ATOM 0 HE1 HIS A 73 96.940 0.744 -9.588 1.00 0.00 H new ATOM 1198 N ARG A 74 98.126 6.069 -11.326 1.00 0.00 N ATOM 1199 CA ARG A 74 98.127 6.740 -9.994 1.00 0.00 C ATOM 1200 C ARG A 74 97.088 6.086 -9.082 1.00 0.00 C ATOM 1201 O ARG A 74 96.080 5.581 -9.533 1.00 0.00 O ATOM 1202 CB ARG A 74 97.794 8.222 -10.169 1.00 0.00 C ATOM 1203 CG ARG A 74 99.017 8.959 -10.720 1.00 0.00 C ATOM 1204 CD ARG A 74 98.803 10.469 -10.600 1.00 0.00 C ATOM 1205 NE ARG A 74 100.123 11.162 -10.642 1.00 0.00 N ATOM 1206 CZ ARG A 74 100.193 12.409 -11.025 1.00 0.00 C ATOM 1207 NH1 ARG A 74 99.114 13.142 -11.059 1.00 0.00 N ATOM 1208 NH2 ARG A 74 101.342 12.921 -11.373 1.00 0.00 N ATOM 0 H ARG A 74 97.368 6.341 -11.952 1.00 0.00 H new ATOM 0 HA ARG A 74 99.114 6.639 -9.542 1.00 0.00 H new ATOM 0 HB2 ARG A 74 96.950 8.338 -10.849 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.496 8.654 -9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.911 8.663 -10.170 1.00 0.00 H new ATOM 0 HG3 ARG A 74 99.179 8.686 -11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.168 10.823 -11.412 1.00 0.00 H new ATOM 0 HD3 ARG A 74 98.288 10.701 -9.668 1.00 0.00 H new ATOM 0 HE ARG A 74 100.970 10.663 -10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 74 98.216 12.741 -10.787 1.00 0.00 H new ATOM 0 HH12 ARG A 74 99.168 14.116 -11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 74 102.185 12.347 -11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 74 101.397 13.895 -11.672 1.00 0.00 H new ATOM 1222 N HIS A 75 97.329 6.094 -7.798 1.00 0.00 N ATOM 1223 CA HIS A 75 96.358 5.473 -6.850 1.00 0.00 C ATOM 1224 C HIS A 75 96.425 6.196 -5.509 1.00 0.00 C ATOM 1225 O HIS A 75 97.457 6.703 -5.115 1.00 0.00 O ATOM 1226 CB HIS A 75 96.698 3.993 -6.614 1.00 0.00 C ATOM 1227 CG HIS A 75 97.873 3.578 -7.451 1.00 0.00 C ATOM 1228 ND1 HIS A 75 97.813 3.516 -8.832 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.145 3.193 -7.114 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.015 3.106 -9.271 1.00 0.00 C ATOM 1231 NE2 HIS A 75 99.862 2.894 -8.263 1.00 0.00 N ATOM 0 H HIS A 75 98.156 6.504 -7.364 1.00 0.00 H new ATOM 0 HA HIS A 75 95.361 5.552 -7.283 1.00 0.00 H new ATOM 0 HB2 HIS A 75 96.921 3.830 -5.560 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.835 3.373 -6.857 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.004 3.741 -9.411 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.530 3.132 -6.107 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.265 2.965 -10.312 1.00 0.00 H new ATOM 1239 N ARG A 76 95.341 6.226 -4.789 1.00 0.00 N ATOM 1240 CA ARG A 76 95.356 6.890 -3.462 1.00 0.00 C ATOM 1241 C ARG A 76 96.015 5.940 -2.462 1.00 0.00 C ATOM 1242 O ARG A 76 95.878 4.736 -2.558 1.00 0.00 O ATOM 1243 CB ARG A 76 93.922 7.192 -3.019 1.00 0.00 C ATOM 1244 CG ARG A 76 93.172 7.892 -4.155 1.00 0.00 C ATOM 1245 CD ARG A 76 92.546 9.187 -3.632 1.00 0.00 C ATOM 1246 NE ARG A 76 91.201 8.894 -3.064 1.00 0.00 N ATOM 1247 CZ ARG A 76 90.228 9.750 -3.215 1.00 0.00 C ATOM 1248 NH1 ARG A 76 90.495 11.008 -3.440 1.00 0.00 N ATOM 1249 NH2 ARG A 76 88.988 9.350 -3.140 1.00 0.00 N ATOM 0 H ARG A 76 94.447 5.819 -5.063 1.00 0.00 H new ATOM 0 HA ARG A 76 95.910 7.827 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.412 6.268 -2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 76 93.930 7.824 -2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 76 93.856 8.111 -4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 76 92.398 7.236 -4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.186 9.631 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 76 92.461 9.914 -4.439 1.00 0.00 H new ATOM 0 HE ARG A 76 91.040 8.024 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.464 11.321 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 76 89.735 11.678 -3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 76 88.779 8.367 -2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 76 88.228 10.020 -3.258 1.00 0.00 H new ATOM 1263 N VAL A 77 96.734 6.461 -1.509 1.00 0.00 N ATOM 1264 CA VAL A 77 97.400 5.570 -0.519 1.00 0.00 C ATOM 1265 C VAL A 77 96.344 4.743 0.220 1.00 0.00 C ATOM 1266 O VAL A 77 96.659 3.786 0.897 1.00 0.00 O ATOM 1267 CB VAL A 77 98.204 6.421 0.469 1.00 0.00 C ATOM 1268 CG1 VAL A 77 98.493 5.619 1.742 1.00 0.00 C ATOM 1269 CG2 VAL A 77 99.528 6.820 -0.187 1.00 0.00 C ATOM 0 H VAL A 77 96.889 7.460 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 77 98.079 4.889 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 77 97.630 7.309 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.065 6.234 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 77 97.553 5.324 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.067 4.728 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.110 7.427 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.091 5.923 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 77 99.327 7.395 -1.091 1.00 0.00 H new ATOM 1279 N SER A 78 95.092 5.090 0.089 1.00 0.00 N ATOM 1280 CA SER A 78 94.032 4.304 0.779 1.00 0.00 C ATOM 1281 C SER A 78 93.780 3.013 -0.006 1.00 0.00 C ATOM 1282 O SER A 78 93.633 1.949 0.562 1.00 0.00 O ATOM 1283 CB SER A 78 92.741 5.124 0.846 1.00 0.00 C ATOM 1284 OG SER A 78 92.958 6.395 0.249 1.00 0.00 O ATOM 0 H SER A 78 94.759 5.880 -0.464 1.00 0.00 H new ATOM 0 HA SER A 78 94.354 4.064 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 78 91.937 4.600 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.428 5.246 1.883 1.00 0.00 H new ATOM 0 HG SER A 78 92.132 6.921 0.289 1.00 0.00 H new ATOM 1290 N ALA A 79 93.739 3.097 -1.309 1.00 0.00 N ATOM 1291 CA ALA A 79 93.509 1.872 -2.129 1.00 0.00 C ATOM 1292 C ALA A 79 94.727 0.955 -2.008 1.00 0.00 C ATOM 1293 O ALA A 79 94.610 -0.213 -1.695 1.00 0.00 O ATOM 1294 CB ALA A 79 93.307 2.267 -3.594 1.00 0.00 C ATOM 0 H ALA A 79 93.855 3.960 -1.841 1.00 0.00 H new ATOM 0 HA ALA A 79 92.620 1.351 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.139 1.372 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 79 92.443 2.926 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.195 2.785 -3.957 1.00 0.00 H new ATOM 1300 N ILE A 80 95.900 1.481 -2.239 1.00 0.00 N ATOM 1301 CA ILE A 80 97.128 0.651 -2.120 1.00 0.00 C ATOM 1302 C ILE A 80 97.249 0.178 -0.672 1.00 0.00 C ATOM 1303 O ILE A 80 97.669 -0.930 -0.396 1.00 0.00 O ATOM 1304 CB ILE A 80 98.352 1.495 -2.483 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.279 1.901 -3.961 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.627 0.685 -2.227 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.713 0.735 -4.850 1.00 0.00 C ATOM 0 H ILE A 80 96.058 2.453 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 80 97.071 -0.204 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 80 98.369 2.394 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.262 2.202 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 80 98.920 2.764 -4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.498 1.287 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.677 0.408 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.614 -0.217 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.657 1.035 -5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.738 0.454 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.054 -0.116 -4.681 1.00 0.00 H new ATOM 1319 N ASN A 81 96.871 1.017 0.253 1.00 0.00 N ATOM 1320 CA ASN A 81 96.944 0.636 1.690 1.00 0.00 C ATOM 1321 C ASN A 81 96.009 -0.547 1.936 1.00 0.00 C ATOM 1322 O ASN A 81 96.191 -1.314 2.858 1.00 0.00 O ATOM 1323 CB ASN A 81 96.504 1.824 2.549 1.00 0.00 C ATOM 1324 CG ASN A 81 96.317 1.370 3.997 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.256 1.361 4.769 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.136 0.989 4.400 1.00 0.00 N ATOM 0 H ASN A 81 96.513 1.955 0.073 1.00 0.00 H new ATOM 0 HA ASN A 81 97.965 0.358 1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.250 2.617 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.572 2.238 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.000 0.683 5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.349 0.997 3.752 1.00 0.00 H new ATOM 1333 N ASN A 82 95.010 -0.700 1.112 1.00 0.00 N ATOM 1334 CA ASN A 82 94.063 -1.835 1.290 1.00 0.00 C ATOM 1335 C ASN A 82 94.760 -3.141 0.904 1.00 0.00 C ATOM 1336 O ASN A 82 94.488 -4.187 1.459 1.00 0.00 O ATOM 1337 CB ASN A 82 92.839 -1.626 0.397 1.00 0.00 C ATOM 1338 CG ASN A 82 91.574 -1.611 1.257 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.650 -1.639 2.470 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.406 -1.569 0.676 1.00 0.00 N ATOM 0 H ASN A 82 94.809 -0.087 0.322 1.00 0.00 H new ATOM 0 HA ASN A 82 93.745 -1.884 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.931 -0.687 -0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.777 -2.422 -0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.556 -1.560 1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.343 -1.546 -0.342 1.00 0.00 H new ATOM 1347 N TYR A 83 95.658 -3.094 -0.044 1.00 0.00 N ATOM 1348 CA TYR A 83 96.365 -4.341 -0.455 1.00 0.00 C ATOM 1349 C TYR A 83 97.407 -4.712 0.605 1.00 0.00 C ATOM 1350 O TYR A 83 97.349 -5.770 1.198 1.00 0.00 O ATOM 1351 CB TYR A 83 97.060 -4.125 -1.807 1.00 0.00 C ATOM 1352 CG TYR A 83 97.969 -5.300 -2.117 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.793 -6.524 -1.458 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.993 -5.161 -3.064 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.637 -7.601 -1.741 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.836 -6.240 -3.348 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.659 -7.460 -2.685 1.00 0.00 C ATOM 1358 OH TYR A 83 100.494 -8.523 -2.961 1.00 0.00 O ATOM 0 H TYR A 83 95.931 -2.251 -0.549 1.00 0.00 H new ATOM 0 HA TYR A 83 95.640 -5.149 -0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.315 -4.014 -2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.640 -3.202 -1.784 1.00 0.00 H new ATOM 0 HD1 TYR A 83 97.003 -6.635 -0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.131 -4.220 -3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.500 -8.543 -1.230 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.624 -6.132 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 83 100.662 -9.029 -2.139 1.00 0.00 H new ATOM 1368 N ALA A 84 98.363 -3.856 0.843 1.00 0.00 N ATOM 1369 CA ALA A 84 99.412 -4.170 1.856 1.00 0.00 C ATOM 1370 C ALA A 84 98.767 -4.422 3.219 1.00 0.00 C ATOM 1371 O ALA A 84 99.120 -5.349 3.921 1.00 0.00 O ATOM 1372 CB ALA A 84 100.382 -2.993 1.964 1.00 0.00 C ATOM 0 H ALA A 84 98.464 -2.953 0.380 1.00 0.00 H new ATOM 0 HA ALA A 84 99.951 -5.065 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.149 -3.221 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.852 -2.819 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.837 -2.100 2.269 1.00 0.00 H new ATOM 1378 N GLN A 85 97.834 -3.601 3.602 1.00 0.00 N ATOM 1379 CA GLN A 85 97.173 -3.790 4.924 1.00 0.00 C ATOM 1380 C GLN A 85 96.335 -5.069 4.904 1.00 0.00 C ATOM 1381 O GLN A 85 96.110 -5.689 5.924 1.00 0.00 O ATOM 1382 CB GLN A 85 96.265 -2.596 5.223 1.00 0.00 C ATOM 1383 CG GLN A 85 97.102 -1.317 5.284 1.00 0.00 C ATOM 1384 CD GLN A 85 98.072 -1.394 6.464 1.00 0.00 C ATOM 1385 OE1 GLN A 85 98.012 -2.311 7.259 1.00 0.00 O ATOM 1386 NE2 GLN A 85 98.973 -0.461 6.612 1.00 0.00 N ATOM 0 H GLN A 85 97.499 -2.806 3.058 1.00 0.00 H new ATOM 0 HA GLN A 85 97.938 -3.868 5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.500 -2.506 4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.746 -2.749 6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 85 97.655 -1.188 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 85 96.451 -0.449 5.391 1.00 0.00 H new ATOM 0 HE21 GLN A 85 99.024 0.309 5.945 1.00 0.00 H new ATOM 0 HE22 GLN A 85 99.626 -0.502 7.395 1.00 0.00 H new ATOM 1395 N LYS A 86 95.876 -5.477 3.751 1.00 0.00 N ATOM 1396 CA LYS A 86 95.062 -6.722 3.680 1.00 0.00 C ATOM 1397 C LYS A 86 95.970 -7.923 3.940 1.00 0.00 C ATOM 1398 O LYS A 86 95.520 -9.045 4.059 1.00 0.00 O ATOM 1399 CB LYS A 86 94.433 -6.849 2.290 1.00 0.00 C ATOM 1400 CG LYS A 86 93.842 -8.249 2.124 1.00 0.00 C ATOM 1401 CD LYS A 86 94.839 -9.140 1.381 1.00 0.00 C ATOM 1402 CE LYS A 86 94.184 -9.694 0.115 1.00 0.00 C ATOM 1403 NZ LYS A 86 94.309 -8.695 -0.985 1.00 0.00 N ATOM 0 H LYS A 86 96.029 -5.004 2.860 1.00 0.00 H new ATOM 0 HA LYS A 86 94.270 -6.686 4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 86 93.655 -6.097 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.184 -6.666 1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 86 93.613 -8.677 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.904 -8.196 1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 86 95.730 -8.569 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 86 95.161 -9.959 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 86 94.660 -10.631 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 86 93.133 -9.915 0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.864 -9.070 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.835 -7.812 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 95.315 -8.505 -1.169 1.00 0.00 H new ATOM 1417 N LEU A 87 97.251 -7.691 4.031 1.00 0.00 N ATOM 1418 CA LEU A 87 98.200 -8.805 4.282 1.00 0.00 C ATOM 1419 C LEU A 87 98.600 -8.806 5.758 1.00 0.00 C ATOM 1420 O LEU A 87 99.523 -9.483 6.157 1.00 0.00 O ATOM 1421 CB LEU A 87 99.442 -8.609 3.411 1.00 0.00 C ATOM 1422 CG LEU A 87 99.035 -8.642 1.938 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.823 -7.585 1.164 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.337 -10.024 1.360 1.00 0.00 C ATOM 0 H LEU A 87 97.681 -6.770 3.941 1.00 0.00 H new ATOM 0 HA LEU A 87 97.729 -9.757 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 87 99.920 -7.658 3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.172 -9.392 3.616 1.00 0.00 H new ATOM 0 HG LEU A 87 97.969 -8.434 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.531 -7.610 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.610 -6.599 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.890 -7.792 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.048 -10.050 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.404 -10.230 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.775 -10.779 1.910 1.00 0.00 H new ATOM 1436 N CYS A 88 97.912 -8.056 6.573 1.00 0.00 N ATOM 1437 CA CYS A 88 98.257 -8.022 8.022 1.00 0.00 C ATOM 1438 C CYS A 88 97.581 -9.198 8.732 1.00 0.00 C ATOM 1439 O CYS A 88 96.714 -9.017 9.564 1.00 0.00 O ATOM 1440 CB CYS A 88 97.768 -6.708 8.634 1.00 0.00 C ATOM 1441 SG CYS A 88 98.285 -6.620 10.368 1.00 0.00 S ATOM 0 H CYS A 88 97.127 -7.466 6.299 1.00 0.00 H new ATOM 0 HA CYS A 88 99.338 -8.096 8.140 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.174 -5.863 8.079 1.00 0.00 H new ATOM 0 HB3 CYS A 88 96.682 -6.643 8.563 1.00 0.00 H new ATOM 0 HG CYS A 88 97.823 -7.651 11.011 1.00 0.00 H new ATOM 1447 N THR A 89 97.970 -10.400 8.406 1.00 0.00 N ATOM 1448 CA THR A 89 97.349 -11.587 9.056 1.00 0.00 C ATOM 1449 C THR A 89 98.424 -12.639 9.334 1.00 0.00 C ATOM 1450 O THR A 89 98.131 -13.753 9.720 1.00 0.00 O ATOM 1451 CB THR A 89 96.286 -12.177 8.127 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.798 -12.231 6.802 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.034 -11.301 8.157 1.00 0.00 C ATOM 0 H THR A 89 98.692 -10.611 7.717 1.00 0.00 H new ATOM 0 HA THR A 89 96.886 -11.286 9.996 1.00 0.00 H new ATOM 0 HB THR A 89 96.029 -13.182 8.460 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.120 -12.610 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.278 -11.723 7.495 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.643 -11.260 9.174 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.286 -10.294 7.824 1.00 0.00 H new ATOM 1461 N PHE A 90 99.668 -12.297 9.140 1.00 0.00 N ATOM 1462 CA PHE A 90 100.758 -13.281 9.391 1.00 0.00 C ATOM 1463 C PHE A 90 102.002 -12.547 9.896 1.00 0.00 C ATOM 1464 O PHE A 90 103.085 -13.098 9.935 1.00 0.00 O ATOM 1465 CB PHE A 90 101.090 -14.013 8.089 1.00 0.00 C ATOM 1466 CG PHE A 90 101.771 -13.061 7.135 1.00 0.00 C ATOM 1467 CD1 PHE A 90 101.042 -12.024 6.537 1.00 0.00 C ATOM 1468 CD2 PHE A 90 103.132 -13.216 6.845 1.00 0.00 C ATOM 1469 CE1 PHE A 90 101.679 -11.143 5.649 1.00 0.00 C ATOM 1470 CE2 PHE A 90 103.765 -12.336 5.961 1.00 0.00 C ATOM 1471 CZ PHE A 90 103.039 -11.300 5.363 1.00 0.00 C ATOM 0 H PHE A 90 99.976 -11.379 8.819 1.00 0.00 H new ATOM 0 HA PHE A 90 100.433 -14.002 10.142 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.738 -14.865 8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.179 -14.407 7.638 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.992 -11.903 6.759 1.00 0.00 H new ATOM 0 HD2 PHE A 90 103.694 -14.016 7.304 1.00 0.00 H new ATOM 0 HE1 PHE A 90 101.119 -10.344 5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 90 104.815 -12.456 5.740 1.00 0.00 H new ATOM 0 HZ PHE A 90 103.529 -10.621 4.680 1.00 0.00 H new ATOM 1481 N SER A 91 101.856 -11.309 10.286 1.00 0.00 N ATOM 1482 CA SER A 91 103.027 -10.538 10.789 1.00 0.00 C ATOM 1483 C SER A 91 102.702 -9.043 10.760 1.00 0.00 C ATOM 1484 O SER A 91 101.741 -8.621 10.147 1.00 0.00 O ATOM 1485 CB SER A 91 104.241 -10.813 9.901 1.00 0.00 C ATOM 1486 OG SER A 91 103.803 -11.057 8.571 1.00 0.00 O ATOM 0 H SER A 91 100.973 -10.798 10.277 1.00 0.00 H new ATOM 0 HA SER A 91 103.250 -10.843 11.811 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.922 -9.962 9.922 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.794 -11.673 10.278 1.00 0.00 H new ATOM 0 HG SER A 91 103.720 -12.023 8.426 1.00 0.00 H new ATOM 1492 N PHE A 92 103.493 -8.240 11.418 1.00 0.00 N ATOM 1493 CA PHE A 92 103.226 -6.772 11.426 1.00 0.00 C ATOM 1494 C PHE A 92 103.366 -6.222 10.001 1.00 0.00 C ATOM 1495 O PHE A 92 103.789 -6.918 9.100 1.00 0.00 O ATOM 1496 CB PHE A 92 104.226 -6.083 12.366 1.00 0.00 C ATOM 1497 CG PHE A 92 105.532 -5.832 11.647 1.00 0.00 C ATOM 1498 CD1 PHE A 92 106.536 -6.807 11.644 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.736 -4.619 10.983 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.741 -6.567 10.979 1.00 0.00 C ATOM 1501 CE2 PHE A 92 106.940 -4.378 10.318 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.944 -5.351 10.314 1.00 0.00 C ATOM 0 H PHE A 92 104.312 -8.536 11.950 1.00 0.00 H new ATOM 0 HA PHE A 92 102.214 -6.578 11.780 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.811 -5.140 12.722 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.400 -6.706 13.244 1.00 0.00 H new ATOM 0 HD1 PHE A 92 106.379 -7.745 12.156 1.00 0.00 H new ATOM 0 HD2 PHE A 92 104.961 -3.867 10.984 1.00 0.00 H new ATOM 0 HE1 PHE A 92 108.516 -7.319 10.978 1.00 0.00 H new ATOM 0 HE2 PHE A 92 107.096 -3.440 9.807 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.875 -5.165 9.799 1.00 0.00 H new ATOM 1512 N LEU A 93 103.014 -4.981 9.786 1.00 0.00 N ATOM 1513 CA LEU A 93 103.133 -4.412 8.412 1.00 0.00 C ATOM 1514 C LEU A 93 103.152 -2.880 8.466 1.00 0.00 C ATOM 1515 O LEU A 93 102.370 -2.260 9.159 1.00 0.00 O ATOM 1516 CB LEU A 93 101.940 -4.873 7.571 1.00 0.00 C ATOM 1517 CG LEU A 93 101.900 -4.082 6.261 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.821 -5.048 5.078 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.670 -3.171 6.254 1.00 0.00 C ATOM 0 H LEU A 93 102.653 -4.343 10.495 1.00 0.00 H new ATOM 0 HA LEU A 93 104.064 -4.760 7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 93 102.020 -5.940 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.013 -4.726 8.125 1.00 0.00 H new ATOM 0 HG LEU A 93 102.804 -3.479 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.793 -4.482 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.696 -5.699 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.918 -5.653 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.640 -2.607 5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.768 -3.777 6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.725 -2.479 7.095 1.00 0.00 H new ATOM 1531 N ILE A 94 104.032 -2.270 7.717 1.00 0.00 N ATOM 1532 CA ILE A 94 104.103 -0.781 7.688 1.00 0.00 C ATOM 1533 C ILE A 94 104.076 -0.324 6.227 1.00 0.00 C ATOM 1534 O ILE A 94 105.043 0.190 5.702 1.00 0.00 O ATOM 1535 CB ILE A 94 105.398 -0.301 8.369 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.215 -0.339 9.886 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.727 1.136 7.942 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.613 -1.714 10.414 1.00 0.00 C ATOM 0 H ILE A 94 104.710 -2.744 7.120 1.00 0.00 H new ATOM 0 HA ILE A 94 103.255 -0.357 8.226 1.00 0.00 H new ATOM 0 HB ILE A 94 106.215 -0.958 8.071 1.00 0.00 H new ATOM 0 HG12 ILE A 94 105.825 0.433 10.356 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.177 -0.126 10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.645 1.460 8.432 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.860 1.173 6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.909 1.797 8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.482 -1.740 11.496 1.00 0.00 H new ATOM 0 HD12 ILE A 94 104.984 -2.476 9.954 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.657 -1.909 10.170 1.00 0.00 H new ATOM 1550 N CYS A 95 102.973 -0.515 5.560 1.00 0.00 N ATOM 1551 CA CYS A 95 102.892 -0.092 4.138 1.00 0.00 C ATOM 1552 C CYS A 95 102.412 1.361 4.080 1.00 0.00 C ATOM 1553 O CYS A 95 101.248 1.647 4.282 1.00 0.00 O ATOM 1554 CB CYS A 95 101.901 -0.984 3.388 1.00 0.00 C ATOM 1555 SG CYS A 95 101.594 -0.290 1.744 1.00 0.00 S ATOM 0 H CYS A 95 102.128 -0.944 5.937 1.00 0.00 H new ATOM 0 HA CYS A 95 103.874 -0.180 3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.299 -1.995 3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.967 -1.057 3.945 1.00 0.00 H new ATOM 0 HG CYS A 95 100.313 -0.216 1.537 1.00 0.00 H new ATOM 1561 N LYS A 96 103.294 2.284 3.812 1.00 0.00 N ATOM 1562 CA LYS A 96 102.875 3.712 3.750 1.00 0.00 C ATOM 1563 C LYS A 96 103.287 4.310 2.404 1.00 0.00 C ATOM 1564 O LYS A 96 103.954 3.677 1.612 1.00 0.00 O ATOM 1565 CB LYS A 96 103.550 4.489 4.884 1.00 0.00 C ATOM 1566 CG LYS A 96 102.543 5.453 5.515 1.00 0.00 C ATOM 1567 CD LYS A 96 102.704 5.435 7.036 1.00 0.00 C ATOM 1568 CE LYS A 96 102.188 4.107 7.588 1.00 0.00 C ATOM 1569 NZ LYS A 96 103.335 3.297 8.086 1.00 0.00 N ATOM 0 H LYS A 96 104.283 2.112 3.634 1.00 0.00 H new ATOM 0 HA LYS A 96 101.792 3.778 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 96 103.928 3.798 5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.407 5.042 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.701 6.462 5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.528 5.165 5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 96 103.752 5.569 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 96 102.153 6.264 7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 96 101.479 4.288 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 96 101.654 3.561 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 103.226 2.311 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 104.223 3.684 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.358 3.330 9.125 1.00 0.00 H new ATOM 1583 N GLY A 97 102.893 5.525 2.137 1.00 0.00 N ATOM 1584 CA GLY A 97 103.261 6.158 0.839 1.00 0.00 C ATOM 1585 C GLY A 97 104.613 6.858 0.976 1.00 0.00 C ATOM 1586 O GLY A 97 105.101 7.079 2.067 1.00 0.00 O ATOM 0 H GLY A 97 102.333 6.106 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.309 5.402 0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.496 6.876 0.543 1.00 0.00 H new ATOM 1590 N VAL A 98 105.223 7.209 -0.123 1.00 0.00 N ATOM 1591 CA VAL A 98 106.544 7.894 -0.053 1.00 0.00 C ATOM 1592 C VAL A 98 106.553 9.081 -1.018 1.00 0.00 C ATOM 1593 O VAL A 98 105.720 9.186 -1.897 1.00 0.00 O ATOM 1594 CB VAL A 98 107.647 6.910 -0.443 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.016 7.536 -0.169 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.499 5.632 0.384 1.00 0.00 C ATOM 0 H VAL A 98 104.864 7.051 -1.065 1.00 0.00 H new ATOM 0 HA VAL A 98 106.717 8.251 0.962 1.00 0.00 H new ATOM 0 HB VAL A 98 107.564 6.674 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.800 6.832 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.122 8.449 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.102 7.773 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.284 4.928 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 98 107.583 5.873 1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.525 5.184 0.190 1.00 0.00 H new ATOM 1606 N ASN A 99 107.488 9.976 -0.863 1.00 0.00 N ATOM 1607 CA ASN A 99 107.549 11.155 -1.772 1.00 0.00 C ATOM 1608 C ASN A 99 108.830 11.089 -2.607 1.00 0.00 C ATOM 1609 O ASN A 99 108.954 11.747 -3.621 1.00 0.00 O ATOM 1610 CB ASN A 99 107.544 12.442 -0.943 1.00 0.00 C ATOM 1611 CG ASN A 99 106.704 12.236 0.319 1.00 0.00 C ATOM 1612 OD1 ASN A 99 106.952 11.328 1.087 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.711 13.046 0.566 1.00 0.00 N ATOM 0 H ASN A 99 108.213 9.942 -0.146 1.00 0.00 H new ATOM 0 HA ASN A 99 106.683 11.148 -2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 99 108.564 12.716 -0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.138 13.264 -1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 99 105.144 12.917 1.404 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.502 13.809 -0.079 1.00 0.00 H new ATOM 1620 N LYS A 100 109.785 10.303 -2.188 1.00 0.00 N ATOM 1621 CA LYS A 100 111.057 10.200 -2.959 1.00 0.00 C ATOM 1622 C LYS A 100 111.600 8.772 -2.871 1.00 0.00 C ATOM 1623 O LYS A 100 112.346 8.435 -1.974 1.00 0.00 O ATOM 1624 CB LYS A 100 112.086 11.170 -2.375 1.00 0.00 C ATOM 1625 CG LYS A 100 112.551 12.140 -3.464 1.00 0.00 C ATOM 1626 CD LYS A 100 113.295 13.311 -2.820 1.00 0.00 C ATOM 1627 CE LYS A 100 112.886 14.616 -3.507 1.00 0.00 C ATOM 1628 NZ LYS A 100 114.050 15.172 -4.253 1.00 0.00 N ATOM 0 H LYS A 100 109.739 9.729 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 100 110.867 10.451 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.649 11.723 -1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.938 10.617 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.203 11.625 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.694 12.506 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.065 13.360 -1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 100 114.371 13.164 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.056 14.435 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 100 112.538 15.336 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 113.772 16.059 -4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 114.830 15.359 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 114.362 14.487 -4.970 1.00 0.00 H new ATOM 1642 N GLU A 101 111.237 7.929 -3.801 1.00 0.00 N ATOM 1643 CA GLU A 101 111.741 6.527 -3.773 1.00 0.00 C ATOM 1644 C GLU A 101 113.236 6.523 -4.085 1.00 0.00 C ATOM 1645 O GLU A 101 114.001 5.778 -3.506 1.00 0.00 O ATOM 1646 CB GLU A 101 111.004 5.699 -4.827 1.00 0.00 C ATOM 1647 CG GLU A 101 111.023 4.224 -4.424 1.00 0.00 C ATOM 1648 CD GLU A 101 110.131 4.013 -3.199 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.629 4.163 -2.096 1.00 0.00 O ATOM 1650 OE2 GLU A 101 108.967 3.704 -3.385 1.00 0.00 O ATOM 0 H GLU A 101 110.614 8.151 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 101 111.569 6.098 -2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 101 109.976 6.047 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.477 5.827 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 101 110.673 3.606 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 101 112.043 3.911 -4.201 1.00 0.00 H new ATOM 1657 N TYR A 102 113.657 7.351 -5.001 1.00 0.00 N ATOM 1658 CA TYR A 102 115.102 7.399 -5.356 1.00 0.00 C ATOM 1659 C TYR A 102 115.936 7.588 -4.089 1.00 0.00 C ATOM 1660 O TYR A 102 117.020 7.054 -3.965 1.00 0.00 O ATOM 1661 CB TYR A 102 115.350 8.569 -6.310 1.00 0.00 C ATOM 1662 CG TYR A 102 116.823 8.655 -6.628 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.728 9.090 -5.651 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.284 8.299 -7.901 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.093 9.169 -5.948 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.650 8.379 -8.198 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.554 8.814 -7.222 1.00 0.00 C ATOM 1668 OH TYR A 102 120.901 8.892 -7.514 1.00 0.00 O ATOM 0 H TYR A 102 113.061 7.997 -5.519 1.00 0.00 H new ATOM 0 HA TYR A 102 115.389 6.465 -5.840 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.776 8.433 -7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.010 9.500 -5.857 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.372 9.364 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.586 7.963 -8.654 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.791 9.504 -5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.006 8.105 -9.180 1.00 0.00 H new ATOM 0 HH TYR A 102 121.052 8.609 -8.440 1.00 0.00 H new ATOM 1678 N LEU A 103 115.445 8.347 -3.147 1.00 0.00 N ATOM 1679 CA LEU A 103 116.224 8.563 -1.899 1.00 0.00 C ATOM 1680 C LEU A 103 116.063 7.359 -0.972 1.00 0.00 C ATOM 1681 O LEU A 103 117.015 6.666 -0.689 1.00 0.00 O ATOM 1682 CB LEU A 103 115.731 9.826 -1.192 1.00 0.00 C ATOM 1683 CG LEU A 103 116.789 10.923 -1.318 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.397 12.115 -0.447 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.146 10.384 -0.857 1.00 0.00 C ATOM 0 H LEU A 103 114.544 8.823 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 103 117.277 8.682 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.791 10.159 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.534 9.615 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 103 116.857 11.238 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.152 12.896 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.432 12.503 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.327 11.798 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.898 11.167 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 103 118.077 10.066 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.430 9.534 -1.478 1.00 0.00 H new ATOM 1697 N MET A 104 114.870 7.105 -0.495 1.00 0.00 N ATOM 1698 CA MET A 104 114.656 5.940 0.419 1.00 0.00 C ATOM 1699 C MET A 104 115.525 4.765 -0.036 1.00 0.00 C ATOM 1700 O MET A 104 116.039 4.008 0.765 1.00 0.00 O ATOM 1701 CB MET A 104 113.183 5.525 0.386 1.00 0.00 C ATOM 1702 CG MET A 104 112.803 4.886 1.723 1.00 0.00 C ATOM 1703 SD MET A 104 111.190 5.513 2.256 1.00 0.00 S ATOM 1704 CE MET A 104 110.629 4.010 3.093 1.00 0.00 C ATOM 0 H MET A 104 114.035 7.654 -0.699 1.00 0.00 H new ATOM 0 HA MET A 104 114.931 6.224 1.435 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.554 6.394 0.194 1.00 0.00 H new ATOM 0 HB3 MET A 104 113.011 4.821 -0.428 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.768 3.801 1.623 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.559 5.113 2.474 1.00 0.00 H new ATOM 0 HE1 MET A 104 109.566 4.094 3.319 1.00 0.00 H new ATOM 0 HE2 MET A 104 110.795 3.149 2.445 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.187 3.880 4.020 1.00 0.00 H new ATOM 1714 N TYR A 105 115.706 4.621 -1.319 1.00 0.00 N ATOM 1715 CA TYR A 105 116.551 3.509 -1.833 1.00 0.00 C ATOM 1716 C TYR A 105 118.026 3.890 -1.684 1.00 0.00 C ATOM 1717 O TYR A 105 118.833 3.110 -1.220 1.00 0.00 O ATOM 1718 CB TYR A 105 116.221 3.269 -3.307 1.00 0.00 C ATOM 1719 CG TYR A 105 117.261 2.364 -3.921 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.523 2.872 -4.254 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.965 1.017 -4.160 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.486 2.034 -4.825 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.927 0.179 -4.730 1.00 0.00 C ATOM 1724 CZ TYR A 105 119.189 0.686 -5.062 1.00 0.00 C ATOM 1725 OH TYR A 105 120.140 -0.140 -5.625 1.00 0.00 O ATOM 0 H TYR A 105 115.304 5.227 -2.035 1.00 0.00 H new ATOM 0 HA TYR A 105 116.356 2.598 -1.267 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.233 2.818 -3.400 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.190 4.218 -3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.752 3.911 -4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.992 0.625 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.459 2.426 -5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.697 -0.860 -4.914 1.00 0.00 H new ATOM 0 HH TYR A 105 119.773 -1.044 -5.721 1.00 0.00 H new ATOM 1735 N SER A 106 118.384 5.088 -2.064 1.00 0.00 N ATOM 1736 CA SER A 106 119.805 5.519 -1.932 1.00 0.00 C ATOM 1737 C SER A 106 120.229 5.386 -0.468 1.00 0.00 C ATOM 1738 O SER A 106 121.121 4.634 -0.135 1.00 0.00 O ATOM 1739 CB SER A 106 119.943 6.975 -2.376 1.00 0.00 C ATOM 1740 OG SER A 106 120.646 7.025 -3.611 1.00 0.00 O ATOM 0 H SER A 106 117.754 5.786 -2.460 1.00 0.00 H new ATOM 0 HA SER A 106 120.440 4.893 -2.559 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.958 7.428 -2.486 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.475 7.550 -1.618 1.00 0.00 H new ATOM 0 HG SER A 106 120.181 7.628 -4.228 1.00 0.00 H new ATOM 1746 N ALA A 107 119.589 6.110 0.410 1.00 0.00 N ATOM 1747 CA ALA A 107 119.944 6.020 1.852 1.00 0.00 C ATOM 1748 C ALA A 107 119.867 4.555 2.295 1.00 0.00 C ATOM 1749 O ALA A 107 120.627 4.111 3.133 1.00 0.00 O ATOM 1750 CB ALA A 107 118.958 6.858 2.673 1.00 0.00 C ATOM 0 H ALA A 107 118.835 6.760 0.189 1.00 0.00 H new ATOM 0 HA ALA A 107 120.954 6.398 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 107 119.217 6.793 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 107 119.008 7.898 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.947 6.480 2.523 1.00 0.00 H new ATOM 1756 N LEU A 108 118.956 3.799 1.737 1.00 0.00 N ATOM 1757 CA LEU A 108 118.838 2.363 2.126 1.00 0.00 C ATOM 1758 C LEU A 108 120.141 1.634 1.791 1.00 0.00 C ATOM 1759 O LEU A 108 120.571 0.750 2.504 1.00 0.00 O ATOM 1760 CB LEU A 108 117.687 1.710 1.353 1.00 0.00 C ATOM 1761 CG LEU A 108 116.430 1.647 2.225 1.00 0.00 C ATOM 1762 CD1 LEU A 108 115.384 0.770 1.537 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.771 1.042 3.589 1.00 0.00 C ATOM 0 H LEU A 108 118.291 4.114 1.031 1.00 0.00 H new ATOM 0 HA LEU A 108 118.643 2.298 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.481 2.278 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.973 0.705 1.042 1.00 0.00 H new ATOM 0 HG LEU A 108 116.039 2.655 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 108 114.487 0.722 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 108 115.134 1.196 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 108 115.784 -0.234 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.872 1.001 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 108 117.164 0.035 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 108 117.521 1.660 4.084 1.00 0.00 H new ATOM 1775 N THR A 109 120.772 1.994 0.710 1.00 0.00 N ATOM 1776 CA THR A 109 122.044 1.317 0.335 1.00 0.00 C ATOM 1777 C THR A 109 123.178 1.883 1.186 1.00 0.00 C ATOM 1778 O THR A 109 124.212 1.267 1.354 1.00 0.00 O ATOM 1779 CB THR A 109 122.343 1.564 -1.146 1.00 0.00 C ATOM 1780 OG1 THR A 109 123.072 2.775 -1.283 1.00 0.00 O ATOM 1781 CG2 THR A 109 121.031 1.664 -1.926 1.00 0.00 C ATOM 0 H THR A 109 120.463 2.726 0.071 1.00 0.00 H new ATOM 0 HA THR A 109 121.953 0.244 0.507 1.00 0.00 H new ATOM 0 HB THR A 109 122.933 0.737 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 109 122.538 3.519 -0.934 1.00 0.00 H new ATOM 0 HG21 THR A 109 121.247 1.840 -2.980 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.473 0.734 -1.820 1.00 0.00 H new ATOM 0 HG23 THR A 109 120.437 2.490 -1.535 1.00 0.00 H new ATOM 1789 N ARG A 110 122.988 3.050 1.737 1.00 0.00 N ATOM 1790 CA ARG A 110 124.048 3.649 2.591 1.00 0.00 C ATOM 1791 C ARG A 110 123.870 3.147 4.024 1.00 0.00 C ATOM 1792 O ARG A 110 122.818 3.289 4.615 1.00 0.00 O ATOM 1793 CB ARG A 110 123.930 5.176 2.561 1.00 0.00 C ATOM 1794 CG ARG A 110 125.019 5.752 1.653 1.00 0.00 C ATOM 1795 CD ARG A 110 125.927 6.676 2.467 1.00 0.00 C ATOM 1796 NE ARG A 110 126.489 5.928 3.627 1.00 0.00 N ATOM 1797 CZ ARG A 110 127.118 6.568 4.575 1.00 0.00 C ATOM 1798 NH1 ARG A 110 127.702 7.706 4.318 1.00 0.00 N ATOM 1799 NH2 ARG A 110 127.164 6.069 5.780 1.00 0.00 N ATOM 0 H ARG A 110 122.144 3.613 1.632 1.00 0.00 H new ATOM 0 HA ARG A 110 125.031 3.361 2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.945 5.469 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.030 5.579 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.605 4.945 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 110 124.566 6.303 0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 110 126.734 7.055 1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 110 125.363 7.541 2.817 1.00 0.00 H new ATOM 0 HE ARG A 110 126.382 4.915 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 110 127.667 8.096 3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 110 128.193 8.206 5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 110 126.708 5.179 5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 110 127.656 6.569 6.521 1.00 0.00 H new ATOM 1813 N ASP A 111 124.888 2.551 4.584 1.00 0.00 N ATOM 1814 CA ASP A 111 124.777 2.031 5.976 1.00 0.00 C ATOM 1815 C ASP A 111 124.033 3.047 6.846 1.00 0.00 C ATOM 1816 O ASP A 111 123.988 4.219 6.526 1.00 0.00 O ATOM 1817 CB ASP A 111 126.180 1.801 6.544 1.00 0.00 C ATOM 1818 CG ASP A 111 126.563 0.330 6.373 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.769 -0.517 6.753 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.642 0.074 5.865 1.00 0.00 O ATOM 0 H ASP A 111 125.792 2.402 4.137 1.00 0.00 H new ATOM 0 HA ASP A 111 124.226 1.090 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.901 2.438 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 111 126.207 2.075 7.599 1.00 0.00 H new ATOM 1825 N PRO A 112 123.471 2.565 7.925 1.00 0.00 N ATOM 1826 CA PRO A 112 123.533 1.140 8.303 1.00 0.00 C ATOM 1827 C PRO A 112 122.488 0.325 7.530 1.00 0.00 C ATOM 1828 O PRO A 112 122.220 -0.815 7.854 1.00 0.00 O ATOM 1829 CB PRO A 112 123.197 1.155 9.796 1.00 0.00 C ATOM 1830 CG PRO A 112 122.412 2.465 10.054 1.00 0.00 C ATOM 1831 CD PRO A 112 122.728 3.410 8.879 1.00 0.00 C ATOM 0 HA PRO A 112 124.499 0.685 8.082 1.00 0.00 H new ATOM 0 HB2 PRO A 112 122.600 0.285 10.069 1.00 0.00 H new ATOM 0 HB3 PRO A 112 124.105 1.121 10.399 1.00 0.00 H new ATOM 0 HG2 PRO A 112 121.342 2.269 10.116 1.00 0.00 H new ATOM 0 HG3 PRO A 112 122.709 2.914 11.002 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.817 3.809 8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 112 123.324 4.263 9.203 1.00 0.00 H new ATOM 1839 N PHE A 113 121.892 0.894 6.518 1.00 0.00 N ATOM 1840 CA PHE A 113 120.865 0.135 5.746 1.00 0.00 C ATOM 1841 C PHE A 113 121.555 -0.789 4.742 1.00 0.00 C ATOM 1842 O PHE A 113 122.271 -0.348 3.865 1.00 0.00 O ATOM 1843 CB PHE A 113 119.957 1.111 4.997 1.00 0.00 C ATOM 1844 CG PHE A 113 118.968 1.722 5.960 1.00 0.00 C ATOM 1845 CD1 PHE A 113 118.065 0.905 6.652 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.951 3.107 6.157 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.148 1.473 7.540 1.00 0.00 C ATOM 1848 CE2 PHE A 113 118.034 3.674 7.046 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.130 2.857 7.738 1.00 0.00 C ATOM 0 H PHE A 113 122.069 1.845 6.193 1.00 0.00 H new ATOM 0 HA PHE A 113 120.267 -0.460 6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.555 1.893 4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 113 119.428 0.592 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 113 118.078 -0.164 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.646 3.737 5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.452 0.842 8.074 1.00 0.00 H new ATOM 0 HE2 PHE A 113 118.022 4.743 7.200 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.420 3.296 8.424 1.00 0.00 H new ATOM 1859 N SER A 114 121.342 -2.073 4.861 1.00 0.00 N ATOM 1860 CA SER A 114 121.984 -3.027 3.912 1.00 0.00 C ATOM 1861 C SER A 114 121.058 -3.254 2.715 1.00 0.00 C ATOM 1862 O SER A 114 119.968 -2.722 2.653 1.00 0.00 O ATOM 1863 CB SER A 114 122.236 -4.357 4.623 1.00 0.00 C ATOM 1864 OG SER A 114 123.485 -4.298 5.297 1.00 0.00 O ATOM 0 H SER A 114 120.752 -2.501 5.574 1.00 0.00 H new ATOM 0 HA SER A 114 122.932 -2.615 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.435 -4.560 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 114 122.237 -5.174 3.902 1.00 0.00 H new ATOM 0 HG SER A 114 123.650 -5.148 5.756 1.00 0.00 H new ATOM 1870 N VAL A 115 121.484 -4.040 1.765 1.00 0.00 N ATOM 1871 CA VAL A 115 120.627 -4.300 0.572 1.00 0.00 C ATOM 1872 C VAL A 115 120.490 -5.810 0.366 1.00 0.00 C ATOM 1873 O VAL A 115 121.427 -6.557 0.562 1.00 0.00 O ATOM 1874 CB VAL A 115 121.275 -3.673 -0.663 1.00 0.00 C ATOM 1875 CG1 VAL A 115 120.387 -3.914 -1.885 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.438 -2.168 -0.442 1.00 0.00 C ATOM 0 H VAL A 115 122.387 -4.513 1.762 1.00 0.00 H new ATOM 0 HA VAL A 115 119.640 -3.863 0.727 1.00 0.00 H new ATOM 0 HB VAL A 115 122.252 -4.126 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.850 -3.467 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 115 120.268 -4.986 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.409 -3.461 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.900 -1.719 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.460 -1.717 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 115 122.071 -1.994 0.429 1.00 0.00 H new ATOM 1886 N ILE A 116 119.331 -6.268 -0.026 1.00 0.00 N ATOM 1887 CA ILE A 116 119.149 -7.732 -0.238 1.00 0.00 C ATOM 1888 C ILE A 116 119.015 -8.028 -1.733 1.00 0.00 C ATOM 1889 O ILE A 116 119.834 -8.714 -2.311 1.00 0.00 O ATOM 1890 CB ILE A 116 117.891 -8.207 0.495 1.00 0.00 C ATOM 1891 CG1 ILE A 116 118.148 -8.187 2.005 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.550 -9.633 0.053 1.00 0.00 C ATOM 1893 CD1 ILE A 116 117.014 -8.915 2.729 1.00 0.00 C ATOM 0 H ILE A 116 118.507 -5.695 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 116 120.018 -8.260 0.155 1.00 0.00 H new ATOM 0 HB ILE A 116 117.058 -7.546 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 116 119.102 -8.666 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 116 118.217 -7.158 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.655 -9.971 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.371 -9.648 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.381 -10.296 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 116 117.199 -8.900 3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 116 116.068 -8.417 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.966 -9.948 2.384 1.00 0.00 H new ATOM 1905 N GLU A 117 117.988 -7.526 -2.368 1.00 0.00 N ATOM 1906 CA GLU A 117 117.822 -7.800 -3.824 1.00 0.00 C ATOM 1907 C GLU A 117 116.888 -6.763 -4.456 1.00 0.00 C ATOM 1908 O GLU A 117 115.980 -6.257 -3.826 1.00 0.00 O ATOM 1909 CB GLU A 117 117.227 -9.197 -4.009 1.00 0.00 C ATOM 1910 CG GLU A 117 118.331 -10.173 -4.424 1.00 0.00 C ATOM 1911 CD GLU A 117 118.458 -11.278 -3.375 1.00 0.00 C ATOM 1912 OE1 GLU A 117 119.147 -11.060 -2.393 1.00 0.00 O ATOM 1913 OE2 GLU A 117 117.864 -12.325 -3.572 1.00 0.00 O ATOM 0 H GLU A 117 117.264 -6.944 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 117 118.796 -7.742 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.762 -9.531 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 117 116.445 -9.173 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 117 118.101 -10.606 -5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 117 119.279 -9.644 -4.527 1.00 0.00 H new ATOM 1920 N GLU A 118 117.104 -6.457 -5.707 1.00 0.00 N ATOM 1921 CA GLU A 118 116.238 -5.467 -6.412 1.00 0.00 C ATOM 1922 C GLU A 118 115.805 -6.069 -7.751 1.00 0.00 C ATOM 1923 O GLU A 118 116.045 -7.230 -8.020 1.00 0.00 O ATOM 1924 CB GLU A 118 117.036 -4.183 -6.671 1.00 0.00 C ATOM 1925 CG GLU A 118 118.494 -4.540 -6.975 1.00 0.00 C ATOM 1926 CD GLU A 118 118.545 -5.580 -8.095 1.00 0.00 C ATOM 1927 OE1 GLU A 118 117.944 -5.337 -9.129 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.185 -6.600 -7.902 1.00 0.00 O ATOM 0 H GLU A 118 117.851 -6.855 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 118 115.365 -5.233 -5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.603 -3.635 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.985 -3.528 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 118 119.044 -3.646 -7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.977 -4.931 -6.080 1.00 0.00 H new ATOM 1935 N SER A 119 115.181 -5.300 -8.599 1.00 0.00 N ATOM 1936 CA SER A 119 114.757 -5.854 -9.915 1.00 0.00 C ATOM 1937 C SER A 119 115.078 -4.858 -11.033 1.00 0.00 C ATOM 1938 O SER A 119 114.736 -5.075 -12.178 1.00 0.00 O ATOM 1939 CB SER A 119 113.254 -6.139 -9.904 1.00 0.00 C ATOM 1940 OG SER A 119 112.550 -4.961 -9.534 1.00 0.00 O ATOM 0 H SER A 119 114.948 -4.320 -8.440 1.00 0.00 H new ATOM 0 HA SER A 119 115.299 -6.783 -10.093 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.930 -6.475 -10.889 1.00 0.00 H new ATOM 0 HB3 SER A 119 113.031 -6.944 -9.203 1.00 0.00 H new ATOM 0 HG SER A 119 112.755 -4.736 -8.603 1.00 0.00 H new ATOM 1946 N LEU A 120 115.730 -3.766 -10.724 1.00 0.00 N ATOM 1947 CA LEU A 120 116.053 -2.786 -11.793 1.00 0.00 C ATOM 1948 C LEU A 120 117.565 -2.788 -12.039 1.00 0.00 C ATOM 1949 O LEU A 120 118.340 -2.953 -11.117 1.00 0.00 O ATOM 1950 CB LEU A 120 115.575 -1.398 -11.367 1.00 0.00 C ATOM 1951 CG LEU A 120 114.051 -1.423 -11.213 1.00 0.00 C ATOM 1952 CD1 LEU A 120 113.424 -2.067 -12.449 1.00 0.00 C ATOM 1953 CD2 LEU A 120 113.678 -2.234 -9.963 1.00 0.00 C ATOM 0 H LEU A 120 116.048 -3.516 -9.787 1.00 0.00 H new ATOM 0 HA LEU A 120 115.548 -3.059 -12.719 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.044 -1.110 -10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 120 115.867 -0.655 -12.109 1.00 0.00 H new ATOM 0 HG LEU A 120 113.678 -0.404 -11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 120 112.340 -2.085 -12.340 1.00 0.00 H new ATOM 0 HD12 LEU A 120 113.690 -1.490 -13.335 1.00 0.00 H new ATOM 0 HD13 LEU A 120 113.795 -3.086 -12.556 1.00 0.00 H new ATOM 0 HD21 LEU A 120 112.594 -2.253 -9.852 1.00 0.00 H new ATOM 0 HD22 LEU A 120 114.050 -3.253 -10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 120 114.125 -1.772 -9.083 1.00 0.00 H new ATOM 1965 N PRO A 121 117.937 -2.628 -13.284 1.00 0.00 N ATOM 1966 CA PRO A 121 119.351 -2.633 -13.699 1.00 0.00 C ATOM 1967 C PRO A 121 120.012 -1.288 -13.399 1.00 0.00 C ATOM 1968 O PRO A 121 121.189 -1.214 -13.105 1.00 0.00 O ATOM 1969 CB PRO A 121 119.279 -2.880 -15.209 1.00 0.00 C ATOM 1970 CG PRO A 121 117.864 -2.440 -15.657 1.00 0.00 C ATOM 1971 CD PRO A 121 116.983 -2.423 -14.393 1.00 0.00 C ATOM 0 HA PRO A 121 119.945 -3.380 -13.173 1.00 0.00 H new ATOM 0 HB2 PRO A 121 120.047 -2.310 -15.733 1.00 0.00 H new ATOM 0 HB3 PRO A 121 119.450 -3.932 -15.439 1.00 0.00 H new ATOM 0 HG2 PRO A 121 117.894 -1.454 -16.121 1.00 0.00 H new ATOM 0 HG3 PRO A 121 117.462 -3.129 -16.400 1.00 0.00 H new ATOM 0 HD2 PRO A 121 116.451 -1.477 -14.291 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.230 -3.211 -14.422 1.00 0.00 H new ATOM 1979 N GLY A 122 119.267 -0.224 -13.474 1.00 0.00 N ATOM 1980 CA GLY A 122 119.857 1.114 -13.195 1.00 0.00 C ATOM 1981 C GLY A 122 119.383 1.612 -11.830 1.00 0.00 C ATOM 1982 O GLY A 122 119.373 2.797 -11.564 1.00 0.00 O ATOM 0 H GLY A 122 118.276 -0.221 -13.716 1.00 0.00 H new ATOM 0 HA2 GLY A 122 120.945 1.053 -13.213 1.00 0.00 H new ATOM 0 HA3 GLY A 122 119.565 1.820 -13.972 1.00 0.00 H new ATOM 1986 N GLY A 123 118.987 0.721 -10.961 1.00 0.00 N ATOM 1987 CA GLY A 123 118.515 1.161 -9.621 1.00 0.00 C ATOM 1988 C GLY A 123 117.348 2.132 -9.798 1.00 0.00 C ATOM 1989 O GLY A 123 116.308 1.780 -10.319 1.00 0.00 O ATOM 0 H GLY A 123 118.971 -0.286 -11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 123 118.202 0.300 -9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 123 119.326 1.643 -9.076 1.00 0.00 H new ATOM 1993 N LEU A 124 117.513 3.353 -9.373 1.00 0.00 N ATOM 1994 CA LEU A 124 116.413 4.345 -9.523 1.00 0.00 C ATOM 1995 C LEU A 124 116.943 5.603 -10.208 1.00 0.00 C ATOM 1996 O LEU A 124 117.666 6.383 -9.620 1.00 0.00 O ATOM 1997 CB LEU A 124 115.866 4.715 -8.140 1.00 0.00 C ATOM 1998 CG LEU A 124 114.891 3.640 -7.657 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.120 4.166 -6.446 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.900 3.301 -8.770 1.00 0.00 C ATOM 0 H LEU A 124 118.361 3.707 -8.929 1.00 0.00 H new ATOM 0 HA LEU A 124 115.618 3.910 -10.128 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.687 4.818 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 124 115.362 5.680 -8.186 1.00 0.00 H new ATOM 0 HG LEU A 124 115.450 2.745 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.424 3.403 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.820 4.410 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.566 5.061 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 124 113.208 2.535 -8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 124 113.342 4.196 -9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.442 2.930 -9.640 1.00 0.00 H new