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 19 SER OG : rot 91:sc= -0.0821 USER MOD Set 1.2: A 99 ASN : amide:sc= -1.23 K(o=-1.3,f=-2.7) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -0.123 F(o=-3.5,f=-1.4) USER MOD Set 2.2: A 85 GLN :FLIP amide:sc= -1.3 F(o=-3.2!,f=-1.4) USER MOD Set 3.1: A 71 THR OG1 : rot 123:sc= -1.4! USER MOD Set 3.2: A 73 HIS : no HD1:sc= -9.62! C(o=-39!,f=-41!) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -28.1! C(o=-39!,f=-48!) USER MOD Set 4.1: A 34 TYR OH : rot 104:sc= -6.11! USER MOD Set 4.2: A 64 HIS : no HD1:sc= -17.7! C(o=-24!,f=-25!) USER MOD Set 5.1: A 60 ASN : amide:sc= -9.85! C(o=-13!,f=-22!) USER MOD Set 5.2: A 114 SER OG : rot 63:sc= -2.81! USER MOD Set 6.1: A 57 SER OG : rot -99:sc= 1.09 USER MOD Set 6.2: A 59 HIS : no HD1:sc= -3.2! C(o=-2.1!,f=-11!) USER MOD Set 7.1: A 35 THR OG1 : rot 87:sc= -5.76! USER MOD Set 7.2: A 36 THR OG1 : rot 160:sc= -0.653 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -2.95 F(o=-4.7!,f=-3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.275 K(o=-0.28,f=-3.8!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -160:sc= -5.04! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -4.22! (180deg=-5.6!) USER MOD Single : A 44 TYR OH : rot -16:sc= -0.546 USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0262 (180deg=-0.352) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -160:sc= -5.59! (180deg=-7.71!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 26:sc= -0.501 USER MOD Single : A 62 TYR OH : rot -41:sc= -0.332! USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.00011) USER MOD Single : A 65 ASN : amide:sc= -9.35! C(o=-9.4!,f=-11!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.8!) USER MOD Single : A 83 TYR OH : rot 180:sc= -6.61! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 23:sc= 0.0806 USER MOD Single : A 89 THR OG1 : rot -32:sc= 0.873 USER MOD Single : A 91 SER OG : rot 110:sc= -1.04 USER MOD Single : A 95 CYS SG : rot 160:sc= -6.93! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0587) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 156:sc= -0.496 (180deg=-0.612) USER MOD Single : A 105 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -74:sc= 1.28 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 108.420 -4.317 18.676 1.00 0.00 N ATOM 75 CA ASP A 6 107.788 -4.152 17.340 1.00 0.00 C ATOM 76 C ASP A 6 107.864 -2.680 16.917 1.00 0.00 C ATOM 77 O ASP A 6 107.679 -1.796 17.729 1.00 0.00 O ATOM 78 CB ASP A 6 106.324 -4.584 17.426 1.00 0.00 C ATOM 79 CG ASP A 6 105.689 -3.983 18.680 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.334 -3.164 19.314 1.00 0.00 O ATOM 81 OD2 ASP A 6 104.567 -4.353 18.987 1.00 0.00 O ATOM 0 HA ASP A 6 108.311 -4.765 16.606 1.00 0.00 H new ATOM 0 HB2 ASP A 6 105.784 -4.255 16.538 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.256 -5.671 17.456 1.00 0.00 H new ATOM 86 N PRO A 7 108.135 -2.461 15.656 1.00 0.00 N ATOM 87 CA PRO A 7 108.242 -1.103 15.094 1.00 0.00 C ATOM 88 C PRO A 7 106.850 -0.520 14.838 1.00 0.00 C ATOM 89 O PRO A 7 106.018 -1.132 14.199 1.00 0.00 O ATOM 90 CB PRO A 7 108.993 -1.318 13.779 1.00 0.00 C ATOM 91 CG PRO A 7 108.774 -2.799 13.387 1.00 0.00 C ATOM 92 CD PRO A 7 108.362 -3.540 14.673 1.00 0.00 C ATOM 0 HA PRO A 7 108.747 -0.402 15.758 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.616 -0.651 13.003 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.054 -1.101 13.898 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.000 -2.887 12.624 1.00 0.00 H new ATOM 0 HG3 PRO A 7 109.685 -3.227 12.968 1.00 0.00 H new ATOM 0 HD2 PRO A 7 107.461 -4.134 14.519 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.142 -4.224 15.006 1.00 0.00 H new ATOM 100 N LYS A 8 106.592 0.660 15.331 1.00 0.00 N ATOM 101 CA LYS A 8 105.256 1.280 15.113 1.00 0.00 C ATOM 102 C LYS A 8 105.230 1.970 13.747 1.00 0.00 C ATOM 103 O LYS A 8 104.233 2.538 13.347 1.00 0.00 O ATOM 104 CB LYS A 8 104.986 2.310 16.211 1.00 0.00 C ATOM 105 CG LYS A 8 105.288 1.691 17.578 1.00 0.00 C ATOM 106 CD LYS A 8 104.926 2.687 18.681 1.00 0.00 C ATOM 107 CE LYS A 8 103.694 2.188 19.438 1.00 0.00 C ATOM 108 NZ LYS A 8 103.304 3.191 20.469 1.00 0.00 N ATOM 0 H LYS A 8 107.248 1.221 15.875 1.00 0.00 H new ATOM 0 HA LYS A 8 104.488 0.507 15.144 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.605 3.194 16.055 1.00 0.00 H new ATOM 0 HB3 LYS A 8 103.947 2.637 16.170 1.00 0.00 H new ATOM 0 HG2 LYS A 8 104.720 0.769 17.705 1.00 0.00 H new ATOM 0 HG3 LYS A 8 106.343 1.427 17.644 1.00 0.00 H new ATOM 0 HD2 LYS A 8 105.764 2.805 19.368 1.00 0.00 H new ATOM 0 HD3 LYS A 8 104.727 3.668 18.249 1.00 0.00 H new ATOM 0 HE2 LYS A 8 102.869 2.024 18.744 1.00 0.00 H new ATOM 0 HE3 LYS A 8 103.908 1.229 19.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 102.466 2.852 20.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 104.090 3.326 21.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 103.083 4.096 20.007 1.00 0.00 H new ATOM 122 N ASP A 9 106.319 1.928 13.027 1.00 0.00 N ATOM 123 CA ASP A 9 106.351 2.586 11.690 1.00 0.00 C ATOM 124 C ASP A 9 107.773 2.540 11.126 1.00 0.00 C ATOM 125 O ASP A 9 108.662 1.943 11.702 1.00 0.00 O ATOM 126 CB ASP A 9 105.900 4.040 11.830 1.00 0.00 C ATOM 127 CG ASP A 9 106.529 4.651 13.085 1.00 0.00 C ATOM 128 OD1 ASP A 9 107.701 4.403 13.317 1.00 0.00 O ATOM 129 OD2 ASP A 9 105.827 5.355 13.792 1.00 0.00 O ATOM 0 H ASP A 9 107.185 1.468 13.306 1.00 0.00 H new ATOM 0 HA ASP A 9 105.680 2.061 11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.194 4.610 10.949 1.00 0.00 H new ATOM 0 HB3 ASP A 9 104.813 4.090 11.894 1.00 0.00 H new ATOM 134 N PHE A 10 107.995 3.168 10.004 1.00 0.00 N ATOM 135 CA PHE A 10 109.356 3.167 9.398 1.00 0.00 C ATOM 136 C PHE A 10 110.376 3.646 10.436 1.00 0.00 C ATOM 137 O PHE A 10 110.008 4.216 11.444 1.00 0.00 O ATOM 138 CB PHE A 10 109.370 4.114 8.195 1.00 0.00 C ATOM 139 CG PHE A 10 108.844 3.396 6.977 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.505 2.990 6.928 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.694 3.139 5.895 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.016 2.326 5.797 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.205 2.475 4.763 1.00 0.00 C ATOM 144 CZ PHE A 10 107.866 2.068 4.714 1.00 0.00 C ATOM 0 H PHE A 10 107.289 3.684 9.479 1.00 0.00 H new ATOM 0 HA PHE A 10 109.614 2.159 9.075 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.759 4.992 8.404 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.384 4.468 8.011 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.849 3.189 7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.727 3.453 5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 10 105.983 2.013 5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.861 2.277 3.928 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.489 1.555 3.841 1.00 0.00 H new ATOM 154 N PRO A 11 111.631 3.403 10.154 1.00 0.00 N ATOM 155 CA PRO A 11 112.734 3.805 11.043 1.00 0.00 C ATOM 156 C PRO A 11 113.008 5.305 10.905 1.00 0.00 C ATOM 157 O PRO A 11 113.049 5.839 9.816 1.00 0.00 O ATOM 158 CB PRO A 11 113.921 2.980 10.540 1.00 0.00 C ATOM 159 CG PRO A 11 113.596 2.596 9.077 1.00 0.00 C ATOM 160 CD PRO A 11 112.066 2.708 8.924 1.00 0.00 C ATOM 0 HA PRO A 11 112.522 3.632 12.098 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.845 3.555 10.595 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.063 2.090 11.153 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.105 3.261 8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 11 113.935 1.583 8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.795 3.271 8.031 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.601 1.726 8.835 1.00 0.00 H new ATOM 168 N SER A 12 113.188 5.988 12.002 1.00 0.00 N ATOM 169 CA SER A 12 113.452 7.454 11.935 1.00 0.00 C ATOM 170 C SER A 12 114.553 7.737 10.912 1.00 0.00 C ATOM 171 O SER A 12 114.622 8.808 10.343 1.00 0.00 O ATOM 172 CB SER A 12 113.891 7.956 13.310 1.00 0.00 C ATOM 173 OG SER A 12 115.301 7.814 13.435 1.00 0.00 O ATOM 0 H SER A 12 113.164 5.594 12.943 1.00 0.00 H new ATOM 0 HA SER A 12 112.541 7.970 11.632 1.00 0.00 H new ATOM 0 HB2 SER A 12 113.607 9.001 13.436 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.386 7.391 14.094 1.00 0.00 H new ATOM 0 HG SER A 12 115.586 8.137 14.315 1.00 0.00 H new ATOM 179 N GLU A 13 115.416 6.788 10.673 1.00 0.00 N ATOM 180 CA GLU A 13 116.508 7.012 9.686 1.00 0.00 C ATOM 181 C GLU A 13 115.903 7.349 8.322 1.00 0.00 C ATOM 182 O GLU A 13 116.314 8.283 7.662 1.00 0.00 O ATOM 183 CB GLU A 13 117.358 5.745 9.567 1.00 0.00 C ATOM 184 CG GLU A 13 118.769 6.119 9.111 1.00 0.00 C ATOM 185 CD GLU A 13 119.794 5.479 10.049 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.449 5.233 11.192 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.907 5.247 9.606 1.00 0.00 O ATOM 0 H GLU A 13 115.412 5.870 11.117 1.00 0.00 H new ATOM 0 HA GLU A 13 117.134 7.839 10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.399 5.230 10.527 1.00 0.00 H new ATOM 0 HB3 GLU A 13 116.905 5.056 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 13 118.934 5.780 8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.887 7.203 9.110 1.00 0.00 H new ATOM 194 N LEU A 14 114.931 6.593 7.891 1.00 0.00 N ATOM 195 CA LEU A 14 114.302 6.867 6.569 1.00 0.00 C ATOM 196 C LEU A 14 113.124 7.828 6.745 1.00 0.00 C ATOM 197 O LEU A 14 112.389 8.101 5.817 1.00 0.00 O ATOM 198 CB LEU A 14 113.809 5.554 5.963 1.00 0.00 C ATOM 199 CG LEU A 14 114.979 4.576 5.869 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.447 3.149 5.725 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.836 4.927 4.651 1.00 0.00 C ATOM 0 H LEU A 14 114.545 5.797 8.398 1.00 0.00 H new ATOM 0 HA LEU A 14 115.037 7.322 5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.014 5.131 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.387 5.732 4.974 1.00 0.00 H new ATOM 0 HG LEU A 14 115.583 4.645 6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.284 2.454 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.836 2.899 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.842 3.076 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 14 116.672 4.231 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 14 115.230 4.858 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 14 116.218 5.943 4.755 1.00 0.00 H new ATOM 213 N LEU A 15 112.940 8.347 7.928 1.00 0.00 N ATOM 214 CA LEU A 15 111.813 9.294 8.156 1.00 0.00 C ATOM 215 C LEU A 15 112.286 10.718 7.850 1.00 0.00 C ATOM 216 O LEU A 15 111.670 11.688 8.244 1.00 0.00 O ATOM 217 CB LEU A 15 111.358 9.208 9.616 1.00 0.00 C ATOM 218 CG LEU A 15 110.674 7.860 9.862 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.244 7.765 11.327 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.441 7.738 8.963 1.00 0.00 C ATOM 0 H LEU A 15 113.520 8.157 8.745 1.00 0.00 H new ATOM 0 HA LEU A 15 110.979 9.036 7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.214 9.320 10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.670 10.023 9.842 1.00 0.00 H new ATOM 0 HG LEU A 15 111.372 7.055 9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.757 6.806 11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.120 7.850 11.970 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.548 8.572 11.555 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.956 6.778 9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.744 8.544 9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.744 7.804 7.918 1.00 0.00 H new ATOM 232 N SER A 16 113.383 10.847 7.150 1.00 0.00 N ATOM 233 CA SER A 16 113.903 12.205 6.817 1.00 0.00 C ATOM 234 C SER A 16 113.320 12.665 5.477 1.00 0.00 C ATOM 235 O SER A 16 113.373 13.830 5.135 1.00 0.00 O ATOM 236 CB SER A 16 115.428 12.157 6.719 1.00 0.00 C ATOM 237 OG SER A 16 115.988 12.407 8.002 1.00 0.00 O ATOM 0 H SER A 16 113.941 10.070 6.795 1.00 0.00 H new ATOM 0 HA SER A 16 113.610 12.906 7.599 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.750 11.182 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.782 12.900 6.004 1.00 0.00 H new ATOM 0 HG SER A 16 116.966 12.375 7.944 1.00 0.00 H new ATOM 243 N PHE A 17 112.762 11.762 4.718 1.00 0.00 N ATOM 244 CA PHE A 17 112.178 12.156 3.403 1.00 0.00 C ATOM 245 C PHE A 17 111.025 11.215 3.041 1.00 0.00 C ATOM 246 O PHE A 17 111.119 10.429 2.119 1.00 0.00 O ATOM 247 CB PHE A 17 113.254 12.091 2.310 1.00 0.00 C ATOM 248 CG PHE A 17 114.180 10.913 2.535 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.723 9.764 3.196 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.500 10.969 2.070 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.586 8.681 3.392 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.362 9.884 2.264 1.00 0.00 C ATOM 253 CZ PHE A 17 115.905 8.739 2.927 1.00 0.00 C ATOM 0 H PHE A 17 112.685 10.772 4.950 1.00 0.00 H new ATOM 0 HA PHE A 17 111.802 13.176 3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.780 12.005 1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.830 13.016 2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.705 9.715 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.854 11.853 1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.234 7.797 3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.379 9.930 1.903 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.569 7.901 3.080 1.00 0.00 H new ATOM 263 N LEU A 18 109.934 11.291 3.757 1.00 0.00 N ATOM 264 CA LEU A 18 108.779 10.404 3.449 1.00 0.00 C ATOM 265 C LEU A 18 107.523 11.254 3.245 1.00 0.00 C ATOM 266 O LEU A 18 107.587 12.465 3.162 1.00 0.00 O ATOM 267 CB LEU A 18 108.558 9.436 4.613 1.00 0.00 C ATOM 268 CG LEU A 18 108.629 7.999 4.097 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.629 7.203 4.937 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.246 7.355 4.203 1.00 0.00 C ATOM 0 H LEU A 18 109.795 11.929 4.541 1.00 0.00 H new ATOM 0 HA LEU A 18 108.985 9.839 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 18 109.314 9.596 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.588 9.621 5.075 1.00 0.00 H new ATOM 0 HG LEU A 18 108.952 8.001 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.679 6.178 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 18 110.614 7.664 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 18 109.307 7.199 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.293 6.330 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 18 106.924 7.353 5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 18 106.534 7.923 3.604 1.00 0.00 H new ATOM 282 N SER A 19 106.378 10.630 3.161 1.00 0.00 N ATOM 283 CA SER A 19 105.121 11.403 2.960 1.00 0.00 C ATOM 284 C SER A 19 104.396 11.559 4.299 1.00 0.00 C ATOM 285 O SER A 19 103.681 12.516 4.520 1.00 0.00 O ATOM 286 CB SER A 19 104.217 10.657 1.977 1.00 0.00 C ATOM 287 OG SER A 19 103.898 11.514 0.889 1.00 0.00 O ATOM 0 H SER A 19 106.260 9.619 3.223 1.00 0.00 H new ATOM 0 HA SER A 19 105.361 12.388 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.718 9.760 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.305 10.332 2.478 1.00 0.00 H new ATOM 0 HG SER A 19 104.557 11.394 0.174 1.00 0.00 H new ATOM 293 N HIS A 20 104.573 10.626 5.193 1.00 0.00 N ATOM 294 CA HIS A 20 103.892 10.720 6.516 1.00 0.00 C ATOM 295 C HIS A 20 102.416 11.063 6.307 1.00 0.00 C ATOM 296 O HIS A 20 101.893 11.984 6.902 1.00 0.00 O ATOM 297 CB HIS A 20 104.553 11.817 7.355 1.00 0.00 C ATOM 298 CG HIS A 20 106.048 11.725 7.219 1.00 0.00 C ATOM 299 ND1 HIS A 20 107.011 12.681 7.012 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.725 10.518 7.295 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 108.266 12.082 6.961 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 108.036 10.777 7.137 1.00 0.00 N flip ATOM 0 H HIS A 20 105.160 9.802 5.065 1.00 0.00 H new ATOM 0 HA HIS A 20 103.975 9.765 7.034 1.00 0.00 H new ATOM 0 HB2 HIS A 20 104.208 12.797 7.027 1.00 0.00 H new ATOM 0 HB3 HIS A 20 104.266 11.711 8.401 1.00 0.00 H new ATOM 0 HD1 HIS A 20 106.833 13.680 6.911 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.281 9.546 7.452 1.00 0.00 H new ATOM 0 HE1 HIS A 20 109.220 12.567 6.812 1.00 0.00 H new ATOM 310 N ALA A 21 101.738 10.330 5.466 1.00 0.00 N ATOM 311 CA ALA A 21 100.298 10.620 5.224 1.00 0.00 C ATOM 312 C ALA A 21 99.652 9.442 4.497 1.00 0.00 C ATOM 313 O ALA A 21 99.716 9.333 3.288 1.00 0.00 O ATOM 314 CB ALA A 21 100.167 11.879 4.365 1.00 0.00 C ATOM 0 H ALA A 21 102.119 9.545 4.938 1.00 0.00 H new ATOM 0 HA ALA A 21 99.797 10.776 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 21 99.112 12.091 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.625 12.722 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.671 11.723 3.411 1.00 0.00 H new ATOM 320 N VAL A 22 99.022 8.560 5.223 1.00 0.00 N ATOM 321 CA VAL A 22 98.367 7.394 4.572 1.00 0.00 C ATOM 322 C VAL A 22 96.948 7.788 4.157 1.00 0.00 C ATOM 323 O VAL A 22 96.533 7.564 3.039 1.00 0.00 O ATOM 324 CB VAL A 22 98.330 6.216 5.560 1.00 0.00 C ATOM 325 CG1 VAL A 22 97.217 5.229 5.189 1.00 0.00 C ATOM 326 CG2 VAL A 22 99.669 5.484 5.515 1.00 0.00 C ATOM 0 H VAL A 22 98.933 8.597 6.238 1.00 0.00 H new ATOM 0 HA VAL A 22 98.927 7.092 3.687 1.00 0.00 H new ATOM 0 HB VAL A 22 98.138 6.607 6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 22 97.210 4.404 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.254 5.740 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.395 4.841 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 22 99.650 4.647 6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.846 5.111 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 22 100.469 6.171 5.793 1.00 0.00 H new ATOM 336 N PHE A 23 96.205 8.372 5.049 1.00 0.00 N ATOM 337 CA PHE A 23 94.813 8.776 4.708 1.00 0.00 C ATOM 338 C PHE A 23 94.808 10.200 4.149 1.00 0.00 C ATOM 339 O PHE A 23 94.048 11.044 4.580 1.00 0.00 O ATOM 340 CB PHE A 23 93.945 8.711 5.966 1.00 0.00 C ATOM 341 CG PHE A 23 93.509 7.281 6.198 1.00 0.00 C ATOM 342 CD1 PHE A 23 94.289 6.222 5.714 1.00 0.00 C ATOM 343 CD2 PHE A 23 92.324 7.016 6.894 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.883 4.900 5.927 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.919 5.694 7.107 1.00 0.00 C ATOM 346 CZ PHE A 23 92.697 4.635 6.624 1.00 0.00 C ATOM 0 H PHE A 23 96.499 8.588 6.001 1.00 0.00 H new ATOM 0 HA PHE A 23 94.413 8.098 3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 23 94.504 9.077 6.827 1.00 0.00 H new ATOM 0 HB3 PHE A 23 93.073 9.356 5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 23 95.203 6.426 5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.722 7.832 7.267 1.00 0.00 H new ATOM 0 HE1 PHE A 23 94.484 4.084 5.554 1.00 0.00 H new ATOM 0 HE2 PHE A 23 91.005 5.490 7.645 1.00 0.00 H new ATOM 0 HZ PHE A 23 92.383 3.615 6.789 1.00 0.00 H new ATOM 356 N SER A 24 95.648 10.472 3.188 1.00 0.00 N ATOM 357 CA SER A 24 95.687 11.839 2.596 1.00 0.00 C ATOM 358 C SER A 24 94.627 11.943 1.498 1.00 0.00 C ATOM 359 O SER A 24 93.842 11.037 1.294 1.00 0.00 O ATOM 360 CB SER A 24 97.070 12.097 1.996 1.00 0.00 C ATOM 361 OG SER A 24 97.567 13.338 2.482 1.00 0.00 O ATOM 0 H SER A 24 96.309 9.807 2.787 1.00 0.00 H new ATOM 0 HA SER A 24 95.486 12.579 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.752 11.289 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.009 12.117 0.908 1.00 0.00 H new ATOM 0 HG SER A 24 98.454 13.507 2.101 1.00 0.00 H new ATOM 367 N ASN A 25 94.594 13.037 0.789 1.00 0.00 N ATOM 368 CA ASN A 25 93.581 13.191 -0.292 1.00 0.00 C ATOM 369 C ASN A 25 94.286 13.243 -1.649 1.00 0.00 C ATOM 370 O ASN A 25 93.710 12.926 -2.671 1.00 0.00 O ATOM 371 CB ASN A 25 92.796 14.487 -0.077 1.00 0.00 C ATOM 372 CG ASN A 25 92.052 14.421 1.258 1.00 0.00 C ATOM 373 OD1 ASN A 25 92.079 13.410 1.931 1.00 0.00 O ATOM 374 ND2 ASN A 25 91.388 15.464 1.672 1.00 0.00 N ATOM 0 H ASN A 25 95.224 13.830 0.911 1.00 0.00 H new ATOM 0 HA ASN A 25 92.896 12.343 -0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.474 15.340 -0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 25 92.088 14.635 -0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.891 15.432 2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.366 16.312 1.106 1.00 0.00 H new ATOM 381 N ARG A 26 95.526 13.645 -1.667 1.00 0.00 N ATOM 382 CA ARG A 26 96.267 13.719 -2.959 1.00 0.00 C ATOM 383 C ARG A 26 96.497 12.307 -3.498 1.00 0.00 C ATOM 384 O ARG A 26 96.030 11.336 -2.940 1.00 0.00 O ATOM 385 CB ARG A 26 97.616 14.404 -2.730 1.00 0.00 C ATOM 386 CG ARG A 26 97.386 15.872 -2.367 1.00 0.00 C ATOM 387 CD ARG A 26 97.039 16.661 -3.630 1.00 0.00 C ATOM 388 NE ARG A 26 97.502 18.069 -3.481 1.00 0.00 N ATOM 389 CZ ARG A 26 98.516 18.499 -4.181 1.00 0.00 C ATOM 390 NH1 ARG A 26 99.668 17.892 -4.101 1.00 0.00 N ATOM 391 NH2 ARG A 26 98.377 19.537 -4.962 1.00 0.00 N ATOM 0 H ARG A 26 96.059 13.926 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 26 95.685 14.291 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.160 13.901 -1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.230 14.332 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 26 96.578 15.956 -1.640 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.280 16.287 -1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 26 97.511 16.202 -4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 26 95.963 16.637 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 26 97.027 18.697 -2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 26 99.776 17.081 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 26 100.461 18.228 -4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 26 97.476 20.011 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 26 99.169 19.873 -5.509 1.00 0.00 H new ATOM 405 N THR A 27 97.216 12.186 -4.581 1.00 0.00 N ATOM 406 CA THR A 27 97.479 10.837 -5.156 1.00 0.00 C ATOM 407 C THR A 27 98.989 10.590 -5.187 1.00 0.00 C ATOM 408 O THR A 27 99.750 11.408 -5.664 1.00 0.00 O ATOM 409 CB THR A 27 96.918 10.769 -6.579 1.00 0.00 C ATOM 410 OG1 THR A 27 96.898 12.073 -7.141 1.00 0.00 O ATOM 411 CG2 THR A 27 95.496 10.204 -6.541 1.00 0.00 C ATOM 0 H THR A 27 97.633 12.964 -5.092 1.00 0.00 H new ATOM 0 HA THR A 27 96.996 10.076 -4.543 1.00 0.00 H new ATOM 0 HB THR A 27 97.548 10.121 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 27 96.541 12.031 -8.053 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.097 10.156 -7.554 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.514 9.203 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.864 10.850 -5.932 1.00 0.00 H new ATOM 419 N LEU A 28 99.432 9.474 -4.675 1.00 0.00 N ATOM 420 CA LEU A 28 100.895 9.188 -4.671 1.00 0.00 C ATOM 421 C LEU A 28 101.174 7.883 -5.417 1.00 0.00 C ATOM 422 O LEU A 28 100.738 6.821 -5.019 1.00 0.00 O ATOM 423 CB LEU A 28 101.382 9.058 -3.225 1.00 0.00 C ATOM 424 CG LEU A 28 102.556 10.010 -2.992 1.00 0.00 C ATOM 425 CD1 LEU A 28 102.024 11.419 -2.723 1.00 0.00 C ATOM 426 CD2 LEU A 28 103.367 9.532 -1.785 1.00 0.00 C ATOM 0 H LEU A 28 98.846 8.750 -4.260 1.00 0.00 H new ATOM 0 HA LEU A 28 101.421 10.004 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 28 100.571 9.289 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 28 101.688 8.031 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 28 103.193 10.025 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.860 12.098 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 28 101.445 11.759 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 28 101.387 11.405 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 28 104.204 10.210 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.730 9.518 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.746 8.528 -1.976 1.00 0.00 H new ATOM 438 N ALA A 29 101.909 7.950 -6.494 1.00 0.00 N ATOM 439 CA ALA A 29 102.229 6.713 -7.260 1.00 0.00 C ATOM 440 C ALA A 29 103.505 6.079 -6.680 1.00 0.00 C ATOM 441 O ALA A 29 103.894 4.989 -7.052 1.00 0.00 O ATOM 442 CB ALA A 29 102.462 7.073 -8.729 1.00 0.00 C ATOM 0 H ALA A 29 102.302 8.810 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 29 101.401 6.008 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.696 6.170 -9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.562 7.532 -9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.294 7.774 -8.804 1.00 0.00 H new ATOM 448 N CYS A 30 104.156 6.761 -5.769 1.00 0.00 N ATOM 449 CA CYS A 30 105.405 6.215 -5.151 1.00 0.00 C ATOM 450 C CYS A 30 105.047 5.572 -3.804 1.00 0.00 C ATOM 451 O CYS A 30 104.432 6.191 -2.957 1.00 0.00 O ATOM 452 CB CYS A 30 106.402 7.367 -4.953 1.00 0.00 C ATOM 453 SG CYS A 30 107.638 6.933 -3.700 1.00 0.00 S ATOM 0 H CYS A 30 103.874 7.679 -5.425 1.00 0.00 H new ATOM 0 HA CYS A 30 105.859 5.461 -5.794 1.00 0.00 H new ATOM 0 HB2 CYS A 30 106.897 7.593 -5.897 1.00 0.00 H new ATOM 0 HB3 CYS A 30 105.869 8.268 -4.649 1.00 0.00 H new ATOM 0 HG CYS A 30 108.192 8.017 -3.243 1.00 0.00 H new ATOM 459 N PHE A 31 105.395 4.323 -3.608 1.00 0.00 N ATOM 460 CA PHE A 31 105.027 3.652 -2.329 1.00 0.00 C ATOM 461 C PHE A 31 106.261 3.049 -1.651 1.00 0.00 C ATOM 462 O PHE A 31 107.174 2.568 -2.296 1.00 0.00 O ATOM 463 CB PHE A 31 104.040 2.516 -2.621 1.00 0.00 C ATOM 464 CG PHE A 31 102.767 3.044 -3.248 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.817 3.812 -4.414 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.528 2.752 -2.671 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.648 4.286 -4.996 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.355 3.231 -3.261 1.00 0.00 C ATOM 469 CZ PHE A 31 100.417 4.001 -4.423 1.00 0.00 C ATOM 0 H PHE A 31 105.912 3.747 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 31 104.582 4.397 -1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.504 1.791 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.802 1.991 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.771 4.039 -4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.477 2.157 -1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.698 4.878 -5.898 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.397 3.004 -2.816 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.510 4.374 -4.875 1.00 0.00 H new ATOM 479 N ALA A 32 106.266 3.043 -0.345 1.00 0.00 N ATOM 480 CA ALA A 32 107.402 2.443 0.410 1.00 0.00 C ATOM 481 C ALA A 32 106.823 1.458 1.429 1.00 0.00 C ATOM 482 O ALA A 32 106.078 1.834 2.313 1.00 0.00 O ATOM 483 CB ALA A 32 108.184 3.537 1.135 1.00 0.00 C ATOM 0 H ALA A 32 105.524 3.432 0.236 1.00 0.00 H new ATOM 0 HA ALA A 32 108.080 1.931 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.012 3.089 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.574 4.249 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.525 4.055 1.832 1.00 0.00 H new ATOM 489 N ILE A 33 107.135 0.199 1.300 1.00 0.00 N ATOM 490 CA ILE A 33 106.576 -0.805 2.249 1.00 0.00 C ATOM 491 C ILE A 33 107.562 -1.085 3.385 1.00 0.00 C ATOM 492 O ILE A 33 108.758 -1.159 3.185 1.00 0.00 O ATOM 493 CB ILE A 33 106.292 -2.109 1.499 1.00 0.00 C ATOM 494 CG1 ILE A 33 105.346 -1.829 0.326 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.643 -3.116 2.452 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.930 -1.580 0.850 1.00 0.00 C ATOM 0 H ILE A 33 107.752 -0.178 0.580 1.00 0.00 H new ATOM 0 HA ILE A 33 105.655 -0.406 2.673 1.00 0.00 H new ATOM 0 HB ILE A 33 107.227 -2.521 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 33 105.694 -0.961 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 33 105.346 -2.674 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.441 -4.044 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.318 -3.316 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.708 -2.706 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.262 -1.381 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 33 103.582 -2.460 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.936 -0.721 1.521 1.00 0.00 H new ATOM 508 N TYR A 34 107.056 -1.258 4.575 1.00 0.00 N ATOM 509 CA TYR A 34 107.936 -1.555 5.738 1.00 0.00 C ATOM 510 C TYR A 34 107.294 -2.678 6.554 1.00 0.00 C ATOM 511 O TYR A 34 106.325 -2.468 7.257 1.00 0.00 O ATOM 512 CB TYR A 34 108.081 -0.305 6.613 1.00 0.00 C ATOM 513 CG TYR A 34 108.678 -0.689 7.947 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.748 -1.590 8.000 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.163 -0.146 9.130 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.302 -1.946 9.232 1.00 0.00 C ATOM 517 CE2 TYR A 34 108.718 -0.503 10.363 1.00 0.00 C ATOM 518 CZ TYR A 34 109.788 -1.404 10.415 1.00 0.00 C ATOM 519 OH TYR A 34 110.335 -1.758 11.630 1.00 0.00 O ATOM 0 H TYR A 34 106.061 -1.206 4.792 1.00 0.00 H new ATOM 0 HA TYR A 34 108.924 -1.858 5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.716 0.428 6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.108 0.164 6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.145 -2.010 7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.337 0.549 9.090 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.128 -2.641 9.271 1.00 0.00 H new ATOM 0 HE2 TYR A 34 108.321 -0.083 11.275 1.00 0.00 H new ATOM 0 HH TYR A 34 110.898 -1.027 11.961 1.00 0.00 H new ATOM 529 N THR A 35 107.812 -3.870 6.461 1.00 0.00 N ATOM 530 CA THR A 35 107.207 -4.994 7.230 1.00 0.00 C ATOM 531 C THR A 35 108.181 -6.173 7.275 1.00 0.00 C ATOM 532 O THR A 35 109.204 -6.176 6.617 1.00 0.00 O ATOM 533 CB THR A 35 105.888 -5.433 6.569 1.00 0.00 C ATOM 534 OG1 THR A 35 105.841 -6.851 6.501 1.00 0.00 O ATOM 535 CG2 THR A 35 105.781 -4.853 5.154 1.00 0.00 C ATOM 0 H THR A 35 108.622 -4.115 5.891 1.00 0.00 H new ATOM 0 HA THR A 35 107.001 -4.659 8.247 1.00 0.00 H new ATOM 0 HB THR A 35 105.055 -5.063 7.167 1.00 0.00 H new ATOM 0 HG1 THR A 35 105.469 -7.206 7.335 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.843 -5.172 4.700 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.808 -3.764 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.616 -5.209 4.551 1.00 0.00 H new ATOM 543 N THR A 36 107.870 -7.175 8.051 1.00 0.00 N ATOM 544 CA THR A 36 108.770 -8.359 8.151 1.00 0.00 C ATOM 545 C THR A 36 109.278 -8.744 6.758 1.00 0.00 C ATOM 546 O THR A 36 108.608 -8.545 5.764 1.00 0.00 O ATOM 547 CB THR A 36 107.997 -9.534 8.753 1.00 0.00 C ATOM 548 OG1 THR A 36 106.687 -9.566 8.203 1.00 0.00 O ATOM 549 CG2 THR A 36 107.913 -9.364 10.271 1.00 0.00 C ATOM 0 H THR A 36 107.027 -7.225 8.623 1.00 0.00 H new ATOM 0 HA THR A 36 109.620 -8.113 8.788 1.00 0.00 H new ATOM 0 HB THR A 36 108.511 -10.467 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.304 -10.460 8.322 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.362 -10.201 10.701 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.919 -9.338 10.690 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.398 -8.432 10.505 1.00 0.00 H new ATOM 557 N LYS A 37 110.461 -9.291 6.680 1.00 0.00 N ATOM 558 CA LYS A 37 111.015 -9.687 5.359 1.00 0.00 C ATOM 559 C LYS A 37 110.052 -10.648 4.656 1.00 0.00 C ATOM 560 O LYS A 37 109.583 -10.378 3.570 1.00 0.00 O ATOM 561 CB LYS A 37 112.374 -10.365 5.559 1.00 0.00 C ATOM 562 CG LYS A 37 112.303 -11.355 6.726 1.00 0.00 C ATOM 563 CD LYS A 37 113.481 -11.116 7.672 1.00 0.00 C ATOM 564 CE LYS A 37 114.137 -12.453 8.019 1.00 0.00 C ATOM 565 NZ LYS A 37 115.611 -12.268 8.129 1.00 0.00 N ATOM 0 H LYS A 37 111.067 -9.480 7.478 1.00 0.00 H new ATOM 0 HA LYS A 37 111.141 -8.799 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.667 -10.886 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.138 -9.613 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.362 -11.234 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 37 112.326 -12.378 6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.208 -10.453 7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.137 -10.621 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.736 -12.834 8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.909 -13.193 7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 116.058 -13.177 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.986 -11.923 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.819 -11.575 8.876 1.00 0.00 H new ATOM 579 N GLU A 38 109.752 -11.768 5.260 1.00 0.00 N ATOM 580 CA GLU A 38 108.823 -12.736 4.616 1.00 0.00 C ATOM 581 C GLU A 38 107.631 -11.985 4.021 1.00 0.00 C ATOM 582 O GLU A 38 107.026 -12.419 3.062 1.00 0.00 O ATOM 583 CB GLU A 38 108.326 -13.738 5.662 1.00 0.00 C ATOM 584 CG GLU A 38 108.760 -15.150 5.266 1.00 0.00 C ATOM 585 CD GLU A 38 107.734 -16.163 5.777 1.00 0.00 C ATOM 586 OE1 GLU A 38 106.631 -15.748 6.093 1.00 0.00 O ATOM 587 OE2 GLU A 38 108.068 -17.334 5.842 1.00 0.00 O ATOM 0 H GLU A 38 110.111 -12.052 6.171 1.00 0.00 H new ATOM 0 HA GLU A 38 109.347 -13.268 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.728 -13.485 6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.240 -13.689 5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 38 108.850 -15.223 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 38 109.743 -15.370 5.683 1.00 0.00 H new ATOM 594 N LYS A 39 107.290 -10.859 4.584 1.00 0.00 N ATOM 595 CA LYS A 39 106.138 -10.077 4.050 1.00 0.00 C ATOM 596 C LYS A 39 106.532 -9.428 2.722 1.00 0.00 C ATOM 597 O LYS A 39 105.821 -9.517 1.741 1.00 0.00 O ATOM 598 CB LYS A 39 105.757 -8.988 5.054 1.00 0.00 C ATOM 599 CG LYS A 39 104.349 -8.478 4.745 1.00 0.00 C ATOM 600 CD LYS A 39 103.544 -8.385 6.041 1.00 0.00 C ATOM 601 CE LYS A 39 102.115 -8.870 5.790 1.00 0.00 C ATOM 602 NZ LYS A 39 101.698 -9.782 6.893 1.00 0.00 N ATOM 0 H LYS A 39 107.759 -10.446 5.390 1.00 0.00 H new ATOM 0 HA LYS A 39 105.289 -10.742 3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.797 -9.384 6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.472 -8.167 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.402 -7.500 4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.853 -9.150 4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 39 104.013 -8.989 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.532 -7.356 6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 39 101.436 -8.019 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.059 -9.390 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 100.856 -10.319 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 102.472 -10.442 7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 101.474 -9.222 7.740 1.00 0.00 H new ATOM 616 N ALA A 40 107.658 -8.770 2.684 1.00 0.00 N ATOM 617 CA ALA A 40 108.096 -8.111 1.422 1.00 0.00 C ATOM 618 C ALA A 40 108.255 -9.160 0.318 1.00 0.00 C ATOM 619 O ALA A 40 107.923 -8.925 -0.826 1.00 0.00 O ATOM 620 CB ALA A 40 109.436 -7.411 1.654 1.00 0.00 C ATOM 0 H ALA A 40 108.294 -8.660 3.474 1.00 0.00 H new ATOM 0 HA ALA A 40 107.347 -7.380 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.759 -6.928 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.324 -6.661 2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.182 -8.145 1.959 1.00 0.00 H new ATOM 626 N ALA A 41 108.767 -10.312 0.651 1.00 0.00 N ATOM 627 CA ALA A 41 108.953 -11.373 -0.378 1.00 0.00 C ATOM 628 C ALA A 41 107.619 -11.666 -1.063 1.00 0.00 C ATOM 629 O ALA A 41 107.558 -11.892 -2.255 1.00 0.00 O ATOM 630 CB ALA A 41 109.471 -12.647 0.293 1.00 0.00 C ATOM 0 H ALA A 41 109.065 -10.565 1.593 1.00 0.00 H new ATOM 0 HA ALA A 41 109.673 -11.032 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.608 -13.424 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.425 -12.440 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.750 -12.985 1.038 1.00 0.00 H new ATOM 636 N LEU A 42 106.549 -11.666 -0.320 1.00 0.00 N ATOM 637 CA LEU A 42 105.219 -11.948 -0.927 1.00 0.00 C ATOM 638 C LEU A 42 104.777 -10.749 -1.769 1.00 0.00 C ATOM 639 O LEU A 42 104.559 -10.859 -2.958 1.00 0.00 O ATOM 640 CB LEU A 42 104.194 -12.197 0.181 1.00 0.00 C ATOM 641 CG LEU A 42 104.185 -13.683 0.544 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.600 -13.854 2.006 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.778 -14.247 0.345 1.00 0.00 C ATOM 0 H LEU A 42 106.538 -11.483 0.683 1.00 0.00 H new ATOM 0 HA LEU A 42 105.291 -12.831 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.439 -11.599 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.203 -11.887 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 42 104.886 -14.218 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.594 -14.913 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 42 105.603 -13.452 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.900 -13.320 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.771 -15.306 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.078 -13.712 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 42 102.481 -14.126 -0.697 1.00 0.00 H new ATOM 655 N LEU A 43 104.642 -9.604 -1.160 1.00 0.00 N ATOM 656 CA LEU A 43 104.210 -8.400 -1.923 1.00 0.00 C ATOM 657 C LEU A 43 105.070 -8.250 -3.179 1.00 0.00 C ATOM 658 O LEU A 43 104.664 -7.643 -4.149 1.00 0.00 O ATOM 659 CB LEU A 43 104.358 -7.158 -1.042 1.00 0.00 C ATOM 660 CG LEU A 43 103.836 -7.458 0.366 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.589 -6.143 1.107 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.521 -8.243 0.277 1.00 0.00 C ATOM 0 H LEU A 43 104.812 -9.450 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 43 103.166 -8.512 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.404 -6.856 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.805 -6.325 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 43 104.575 -8.051 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 43 103.217 -6.355 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.522 -5.584 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.851 -5.552 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.154 -8.454 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.781 -7.653 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.692 -9.181 -0.251 1.00 0.00 H new ATOM 674 N TYR A 44 106.252 -8.800 -3.173 1.00 0.00 N ATOM 675 CA TYR A 44 107.123 -8.687 -4.373 1.00 0.00 C ATOM 676 C TYR A 44 106.409 -9.313 -5.572 1.00 0.00 C ATOM 677 O TYR A 44 105.991 -8.629 -6.485 1.00 0.00 O ATOM 678 CB TYR A 44 108.444 -9.421 -4.121 1.00 0.00 C ATOM 679 CG TYR A 44 109.533 -8.828 -4.987 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.253 -7.710 -4.545 1.00 0.00 C ATOM 681 CD2 TYR A 44 109.826 -9.399 -6.232 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.263 -7.166 -5.346 1.00 0.00 C ATOM 683 CE2 TYR A 44 110.835 -8.854 -7.033 1.00 0.00 C ATOM 684 CZ TYR A 44 111.554 -7.738 -6.590 1.00 0.00 C ATOM 685 OH TYR A 44 112.550 -7.200 -7.380 1.00 0.00 O ATOM 0 H TYR A 44 106.650 -9.321 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 44 107.330 -7.637 -4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.720 -9.342 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.329 -10.482 -4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 44 110.028 -7.268 -3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 44 109.272 -10.261 -6.574 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.818 -6.305 -5.004 1.00 0.00 H new ATOM 0 HE2 TYR A 44 111.059 -9.294 -7.993 1.00 0.00 H new ATOM 0 HH TYR A 44 112.771 -6.300 -7.060 1.00 0.00 H new ATOM 695 N LYS A 45 106.264 -10.608 -5.575 1.00 0.00 N ATOM 696 CA LYS A 45 105.577 -11.280 -6.714 1.00 0.00 C ATOM 697 C LYS A 45 104.100 -10.874 -6.744 1.00 0.00 C ATOM 698 O LYS A 45 103.399 -11.133 -7.702 1.00 0.00 O ATOM 699 CB LYS A 45 105.688 -12.798 -6.550 1.00 0.00 C ATOM 700 CG LYS A 45 107.159 -13.213 -6.605 1.00 0.00 C ATOM 701 CD LYS A 45 107.702 -12.985 -8.017 1.00 0.00 C ATOM 702 CE LYS A 45 109.207 -13.268 -8.038 1.00 0.00 C ATOM 703 NZ LYS A 45 109.446 -14.704 -7.715 1.00 0.00 N ATOM 0 H LYS A 45 106.592 -11.232 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 45 106.049 -10.978 -7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 45 105.248 -13.105 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.128 -13.301 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.738 -12.636 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.262 -14.263 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.189 -13.636 -8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 45 107.510 -11.959 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 45 109.619 -13.031 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.718 -12.632 -7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 110.420 -14.960 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.305 -14.859 -6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.779 -15.296 -8.251 1.00 0.00 H new ATOM 717 N LYS A 46 103.616 -10.241 -5.708 1.00 0.00 N ATOM 718 CA LYS A 46 102.183 -9.829 -5.695 1.00 0.00 C ATOM 719 C LYS A 46 102.014 -8.517 -6.468 1.00 0.00 C ATOM 720 O LYS A 46 101.550 -8.506 -7.589 1.00 0.00 O ATOM 721 CB LYS A 46 101.724 -9.638 -4.249 1.00 0.00 C ATOM 722 CG LYS A 46 101.948 -10.933 -3.468 1.00 0.00 C ATOM 723 CD LYS A 46 100.687 -11.797 -3.543 1.00 0.00 C ATOM 724 CE LYS A 46 100.945 -13.141 -2.858 1.00 0.00 C ATOM 725 NZ LYS A 46 99.754 -14.020 -3.028 1.00 0.00 N ATOM 0 H LYS A 46 104.149 -9.993 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 46 101.579 -10.602 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.277 -8.821 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.669 -9.364 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 46 102.799 -11.476 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.186 -10.707 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 46 99.854 -11.285 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.404 -11.956 -4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 46 101.826 -13.617 -3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 46 101.150 -12.988 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.928 -14.934 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.923 -13.565 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 99.579 -14.175 -4.041 1.00 0.00 H new ATOM 739 N ILE A 47 102.377 -7.409 -5.875 1.00 0.00 N ATOM 740 CA ILE A 47 102.227 -6.100 -6.578 1.00 0.00 C ATOM 741 C ILE A 47 103.055 -6.105 -7.868 1.00 0.00 C ATOM 742 O ILE A 47 102.908 -5.241 -8.710 1.00 0.00 O ATOM 743 CB ILE A 47 102.700 -4.965 -5.658 1.00 0.00 C ATOM 744 CG1 ILE A 47 101.600 -4.684 -4.619 1.00 0.00 C ATOM 745 CG2 ILE A 47 102.973 -3.706 -6.490 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.653 -3.228 -4.145 1.00 0.00 C ATOM 0 H ILE A 47 102.770 -7.354 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 47 101.178 -5.944 -6.830 1.00 0.00 H new ATOM 0 HB ILE A 47 103.620 -5.253 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.622 -4.894 -5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 47 101.720 -5.353 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.308 -2.902 -5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.746 -3.918 -7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.059 -3.401 -6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 47 100.866 -3.055 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.623 -3.029 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.508 -2.563 -4.996 1.00 0.00 H new ATOM 758 N MET A 48 103.922 -7.066 -8.035 1.00 0.00 N ATOM 759 CA MET A 48 104.748 -7.109 -9.275 1.00 0.00 C ATOM 760 C MET A 48 103.849 -7.357 -10.493 1.00 0.00 C ATOM 761 O MET A 48 104.297 -7.310 -11.621 1.00 0.00 O ATOM 762 CB MET A 48 105.779 -8.234 -9.162 1.00 0.00 C ATOM 763 CG MET A 48 106.488 -8.409 -10.506 1.00 0.00 C ATOM 764 SD MET A 48 107.896 -9.528 -10.303 1.00 0.00 S ATOM 765 CE MET A 48 108.896 -8.444 -9.253 1.00 0.00 C ATOM 0 H MET A 48 104.094 -7.820 -7.370 1.00 0.00 H new ATOM 0 HA MET A 48 105.261 -6.155 -9.398 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.505 -8.000 -8.383 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.289 -9.164 -8.873 1.00 0.00 H new ATOM 0 HG2 MET A 48 105.795 -8.810 -11.246 1.00 0.00 H new ATOM 0 HG3 MET A 48 106.828 -7.443 -10.879 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.938 -8.762 -9.289 1.00 0.00 H new ATOM 0 HE2 MET A 48 108.818 -7.417 -9.611 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.535 -8.499 -8.226 1.00 0.00 H new ATOM 775 N GLU A 49 102.589 -7.627 -10.278 1.00 0.00 N ATOM 776 CA GLU A 49 101.677 -7.879 -11.430 1.00 0.00 C ATOM 777 C GLU A 49 100.444 -6.971 -11.339 1.00 0.00 C ATOM 778 O GLU A 49 99.764 -6.742 -12.320 1.00 0.00 O ATOM 779 CB GLU A 49 101.231 -9.342 -11.414 1.00 0.00 C ATOM 780 CG GLU A 49 102.424 -10.242 -11.741 1.00 0.00 C ATOM 781 CD GLU A 49 101.925 -11.537 -12.382 1.00 0.00 C ATOM 782 OE1 GLU A 49 101.597 -11.506 -13.557 1.00 0.00 O ATOM 783 OE2 GLU A 49 101.880 -12.540 -11.687 1.00 0.00 O ATOM 0 H GLU A 49 102.153 -7.684 -9.357 1.00 0.00 H new ATOM 0 HA GLU A 49 102.209 -7.664 -12.357 1.00 0.00 H new ATOM 0 HB2 GLU A 49 100.825 -9.599 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.434 -9.498 -12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 49 103.106 -9.728 -12.418 1.00 0.00 H new ATOM 0 HG3 GLU A 49 102.984 -10.465 -10.833 1.00 0.00 H new ATOM 790 N LYS A 50 100.141 -6.456 -10.176 1.00 0.00 N ATOM 791 CA LYS A 50 98.946 -5.574 -10.050 1.00 0.00 C ATOM 792 C LYS A 50 99.317 -4.131 -10.385 1.00 0.00 C ATOM 793 O LYS A 50 98.479 -3.342 -10.774 1.00 0.00 O ATOM 794 CB LYS A 50 98.394 -5.630 -8.626 1.00 0.00 C ATOM 795 CG LYS A 50 96.995 -5.006 -8.619 1.00 0.00 C ATOM 796 CD LYS A 50 96.326 -5.218 -7.258 1.00 0.00 C ATOM 797 CE LYS A 50 96.228 -6.716 -6.956 1.00 0.00 C ATOM 798 NZ LYS A 50 94.794 -7.102 -6.821 1.00 0.00 N ATOM 0 H LYS A 50 100.666 -6.607 -9.314 1.00 0.00 H new ATOM 0 HA LYS A 50 98.186 -5.926 -10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.350 -6.662 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.052 -5.091 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.064 -3.940 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 50 96.386 -5.453 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.900 -4.717 -6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 50 95.332 -4.772 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 50 96.697 -7.291 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 50 96.767 -6.949 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 94.726 -8.119 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 94.361 -6.563 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 94.293 -6.894 -7.708 1.00 0.00 H new ATOM 812 N TYR A 51 100.558 -3.774 -10.237 1.00 0.00 N ATOM 813 CA TYR A 51 100.963 -2.376 -10.546 1.00 0.00 C ATOM 814 C TYR A 51 102.208 -2.383 -11.431 1.00 0.00 C ATOM 815 O TYR A 51 102.726 -1.345 -11.784 1.00 0.00 O ATOM 816 CB TYR A 51 101.285 -1.640 -9.243 1.00 0.00 C ATOM 817 CG TYR A 51 100.043 -1.524 -8.392 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.698 -2.554 -7.510 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.239 -0.382 -8.480 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.556 -2.441 -6.714 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.096 -0.266 -7.687 1.00 0.00 C ATOM 822 CZ TYR A 51 97.753 -1.295 -6.799 1.00 0.00 C ATOM 823 OH TYR A 51 96.624 -1.181 -6.014 1.00 0.00 O ATOM 0 H TYR A 51 101.309 -4.386 -9.917 1.00 0.00 H new ATOM 0 HA TYR A 51 100.147 -1.874 -11.066 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.061 -2.175 -8.696 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.678 -0.648 -9.464 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.316 -3.438 -7.445 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.503 0.412 -9.163 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.292 -3.236 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.476 0.616 -7.758 1.00 0.00 H new ATOM 0 HH TYR A 51 96.184 -0.325 -6.197 1.00 0.00 H new ATOM 833 N SER A 52 102.706 -3.537 -11.783 1.00 0.00 N ATOM 834 CA SER A 52 103.932 -3.574 -12.629 1.00 0.00 C ATOM 835 C SER A 52 104.944 -2.591 -12.038 1.00 0.00 C ATOM 836 O SER A 52 105.513 -1.772 -12.732 1.00 0.00 O ATOM 837 CB SER A 52 103.585 -3.162 -14.061 1.00 0.00 C ATOM 838 OG SER A 52 102.420 -3.862 -14.480 1.00 0.00 O ATOM 0 H SER A 52 102.322 -4.446 -11.525 1.00 0.00 H new ATOM 0 HA SER A 52 104.349 -4.581 -12.649 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.415 -2.086 -14.112 1.00 0.00 H new ATOM 0 HB3 SER A 52 104.418 -3.385 -14.728 1.00 0.00 H new ATOM 0 HG SER A 52 102.193 -3.600 -15.397 1.00 0.00 H new ATOM 844 N VAL A 53 105.136 -2.667 -10.744 1.00 0.00 N ATOM 845 CA VAL A 53 106.076 -1.749 -10.031 1.00 0.00 C ATOM 846 C VAL A 53 107.207 -1.278 -10.944 1.00 0.00 C ATOM 847 O VAL A 53 107.945 -2.068 -11.500 1.00 0.00 O ATOM 848 CB VAL A 53 106.674 -2.485 -8.834 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.696 -2.425 -7.663 1.00 0.00 C ATOM 850 CG2 VAL A 53 106.933 -3.945 -9.211 1.00 0.00 C ATOM 0 H VAL A 53 104.669 -3.343 -10.139 1.00 0.00 H new ATOM 0 HA VAL A 53 105.516 -0.872 -9.707 1.00 0.00 H new ATOM 0 HB VAL A 53 107.614 -2.013 -8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.121 -2.950 -6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.512 -1.384 -7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.757 -2.898 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.360 -4.471 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 53 105.994 -4.419 -9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.630 -3.987 -10.048 1.00 0.00 H new ATOM 860 N THR A 54 107.361 0.013 -11.079 1.00 0.00 N ATOM 861 CA THR A 54 108.457 0.550 -11.929 1.00 0.00 C ATOM 862 C THR A 54 109.787 0.117 -11.321 1.00 0.00 C ATOM 863 O THR A 54 110.800 0.039 -11.987 1.00 0.00 O ATOM 864 CB THR A 54 108.378 2.078 -11.956 1.00 0.00 C ATOM 865 OG1 THR A 54 107.192 2.476 -12.627 1.00 0.00 O ATOM 866 CG2 THR A 54 109.595 2.641 -12.687 1.00 0.00 C ATOM 0 H THR A 54 106.772 0.718 -10.635 1.00 0.00 H new ATOM 0 HA THR A 54 108.368 0.172 -12.947 1.00 0.00 H new ATOM 0 HB THR A 54 108.364 2.460 -10.935 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.138 3.454 -12.644 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.537 3.729 -12.705 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.504 2.335 -12.170 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.614 2.261 -13.709 1.00 0.00 H new ATOM 874 N PHE A 55 109.778 -0.173 -10.051 1.00 0.00 N ATOM 875 CA PHE A 55 111.020 -0.614 -9.364 1.00 0.00 C ATOM 876 C PHE A 55 110.653 -1.139 -7.978 1.00 0.00 C ATOM 877 O PHE A 55 110.073 -0.434 -7.175 1.00 0.00 O ATOM 878 CB PHE A 55 111.982 0.571 -9.217 1.00 0.00 C ATOM 879 CG PHE A 55 113.031 0.242 -8.177 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.505 -1.069 -8.059 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.518 1.240 -7.323 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.466 -1.382 -7.096 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.481 0.925 -6.357 1.00 0.00 C ATOM 884 CZ PHE A 55 114.956 -0.389 -6.245 1.00 0.00 C ATOM 0 H PHE A 55 108.953 -0.122 -9.454 1.00 0.00 H new ATOM 0 HA PHE A 55 111.504 -1.397 -9.948 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.458 0.788 -10.173 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.432 1.466 -8.924 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.127 -1.840 -8.714 1.00 0.00 H new ATOM 0 HD2 PHE A 55 113.151 2.252 -7.410 1.00 0.00 H new ATOM 0 HE1 PHE A 55 114.831 -2.395 -7.009 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.858 1.694 -5.699 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.700 -0.633 -5.501 1.00 0.00 H new ATOM 894 N ILE A 56 110.993 -2.363 -7.682 1.00 0.00 N ATOM 895 CA ILE A 56 110.670 -2.907 -6.339 1.00 0.00 C ATOM 896 C ILE A 56 111.928 -3.557 -5.756 1.00 0.00 C ATOM 897 O ILE A 56 112.503 -4.453 -6.341 1.00 0.00 O ATOM 898 CB ILE A 56 109.539 -3.930 -6.454 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.317 -4.597 -5.096 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.903 -4.989 -7.494 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.131 -5.556 -5.193 1.00 0.00 C ATOM 0 H ILE A 56 111.478 -3.005 -8.310 1.00 0.00 H new ATOM 0 HA ILE A 56 110.340 -2.105 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 56 108.625 -3.425 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.213 -5.138 -4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.127 -3.842 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.094 -5.715 -7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.056 -4.511 -8.462 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.819 -5.497 -7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.969 -6.034 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.237 -5.001 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.340 -6.318 -5.944 1.00 0.00 H new ATOM 913 N SER A 57 112.380 -3.088 -4.622 1.00 0.00 N ATOM 914 CA SER A 57 113.625 -3.656 -4.024 1.00 0.00 C ATOM 915 C SER A 57 113.423 -4.028 -2.553 1.00 0.00 C ATOM 916 O SER A 57 113.040 -3.212 -1.745 1.00 0.00 O ATOM 917 CB SER A 57 114.726 -2.605 -4.098 1.00 0.00 C ATOM 918 OG SER A 57 114.158 -1.320 -3.883 1.00 0.00 O ATOM 0 H SER A 57 111.943 -2.339 -4.086 1.00 0.00 H new ATOM 0 HA SER A 57 113.889 -4.555 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.491 -2.808 -3.348 1.00 0.00 H new ATOM 0 HB3 SER A 57 115.216 -2.642 -5.071 1.00 0.00 H new ATOM 0 HG SER A 57 114.011 -0.879 -4.746 1.00 0.00 H new ATOM 924 N ARG A 58 113.719 -5.246 -2.192 1.00 0.00 N ATOM 925 CA ARG A 58 113.579 -5.656 -0.766 1.00 0.00 C ATOM 926 C ARG A 58 114.873 -5.301 -0.024 1.00 0.00 C ATOM 927 O ARG A 58 115.957 -5.623 -0.469 1.00 0.00 O ATOM 928 CB ARG A 58 113.342 -7.166 -0.690 1.00 0.00 C ATOM 929 CG ARG A 58 112.567 -7.497 0.586 1.00 0.00 C ATOM 930 CD ARG A 58 112.029 -8.927 0.501 1.00 0.00 C ATOM 931 NE ARG A 58 112.861 -9.822 1.355 1.00 0.00 N ATOM 932 CZ ARG A 58 113.172 -11.019 0.938 1.00 0.00 C ATOM 933 NH1 ARG A 58 113.978 -11.169 -0.077 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.676 -12.067 1.537 1.00 0.00 N ATOM 0 H ARG A 58 114.052 -5.975 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 58 112.735 -5.139 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.784 -7.502 -1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.295 -7.695 -0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 58 113.216 -7.393 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.744 -6.795 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 58 110.990 -8.956 0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 58 112.047 -9.273 -0.532 1.00 0.00 H new ATOM 0 HE ARG A 58 113.187 -9.499 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 58 114.366 -10.350 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 58 114.220 -12.105 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 58 112.046 -11.950 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 58 112.919 -13.003 1.212 1.00 0.00 H new ATOM 948 N HIS A 59 114.779 -4.633 1.097 1.00 0.00 N ATOM 949 CA HIS A 59 116.018 -4.259 1.844 1.00 0.00 C ATOM 950 C HIS A 59 115.913 -4.706 3.304 1.00 0.00 C ATOM 951 O HIS A 59 114.958 -5.338 3.709 1.00 0.00 O ATOM 952 CB HIS A 59 116.199 -2.739 1.814 1.00 0.00 C ATOM 953 CG HIS A 59 116.283 -2.256 0.394 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.480 -2.213 -0.302 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.329 -1.774 -0.469 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.220 -1.719 -1.527 1.00 0.00 C ATOM 957 NE2 HIS A 59 115.924 -1.435 -1.680 1.00 0.00 N ATOM 0 H HIS A 59 113.904 -4.332 1.526 1.00 0.00 H new ATOM 0 HA HIS A 59 116.868 -4.750 1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.364 -2.256 2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.104 -2.462 2.354 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.278 -1.674 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 59 117.968 -1.571 -2.292 1.00 0.00 H new ATOM 0 HE2 HIS A 59 115.468 -1.052 -2.508 1.00 0.00 H new ATOM 965 N ASN A 60 116.893 -4.363 4.097 1.00 0.00 N ATOM 966 CA ASN A 60 116.870 -4.738 5.538 1.00 0.00 C ATOM 967 C ASN A 60 117.113 -3.481 6.376 1.00 0.00 C ATOM 968 O ASN A 60 117.960 -2.669 6.059 1.00 0.00 O ATOM 969 CB ASN A 60 117.974 -5.759 5.830 1.00 0.00 C ATOM 970 CG ASN A 60 118.199 -6.644 4.603 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.425 -6.152 3.515 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.149 -7.941 4.735 1.00 0.00 N ATOM 0 H ASN A 60 117.715 -3.835 3.804 1.00 0.00 H new ATOM 0 HA ASN A 60 115.904 -5.177 5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 60 118.898 -5.244 6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 60 117.697 -6.373 6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.300 -8.542 3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 60 117.959 -8.354 5.648 1.00 0.00 H new ATOM 979 N SER A 61 116.377 -3.308 7.438 1.00 0.00 N ATOM 980 CA SER A 61 116.571 -2.096 8.283 1.00 0.00 C ATOM 981 C SER A 61 117.134 -2.502 9.648 1.00 0.00 C ATOM 982 O SER A 61 118.327 -2.669 9.811 1.00 0.00 O ATOM 983 CB SER A 61 115.228 -1.386 8.463 1.00 0.00 C ATOM 984 OG SER A 61 114.197 -2.358 8.569 1.00 0.00 O ATOM 0 H SER A 61 115.652 -3.951 7.757 1.00 0.00 H new ATOM 0 HA SER A 61 117.275 -1.421 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.250 -0.762 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.036 -0.725 7.618 1.00 0.00 H new ATOM 0 HG SER A 61 114.571 -3.196 8.913 1.00 0.00 H new ATOM 990 N TYR A 62 116.289 -2.663 10.632 1.00 0.00 N ATOM 991 CA TYR A 62 116.785 -3.058 11.980 1.00 0.00 C ATOM 992 C TYR A 62 115.846 -4.104 12.580 1.00 0.00 C ATOM 993 O TYR A 62 116.266 -5.161 13.007 1.00 0.00 O ATOM 994 CB TYR A 62 116.823 -1.834 12.898 1.00 0.00 C ATOM 995 CG TYR A 62 117.224 -0.615 12.105 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.288 0.027 11.286 1.00 0.00 C ATOM 997 CD2 TYR A 62 118.530 -0.121 12.194 1.00 0.00 C ATOM 998 CE1 TYR A 62 116.657 1.160 10.556 1.00 0.00 C ATOM 999 CE2 TYR A 62 118.901 1.012 11.464 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.965 1.654 10.644 1.00 0.00 C ATOM 1001 OH TYR A 62 118.329 2.773 9.923 1.00 0.00 O ATOM 0 H TYR A 62 115.279 -2.538 10.559 1.00 0.00 H new ATOM 0 HA TYR A 62 117.789 -3.472 11.885 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.845 -1.678 13.353 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.530 -1.999 13.711 1.00 0.00 H new ATOM 0 HD1 TYR A 62 115.280 -0.354 11.218 1.00 0.00 H new ATOM 0 HD2 TYR A 62 119.252 -0.615 12.827 1.00 0.00 H new ATOM 0 HE1 TYR A 62 115.934 1.655 9.924 1.00 0.00 H new ATOM 0 HE2 TYR A 62 119.910 1.392 11.532 1.00 0.00 H new ATOM 0 HH TYR A 62 117.931 2.729 9.028 1.00 0.00 H new ATOM 1011 N ASN A 63 114.575 -3.814 12.622 1.00 0.00 N ATOM 1012 CA ASN A 63 113.608 -4.786 13.200 1.00 0.00 C ATOM 1013 C ASN A 63 112.995 -5.633 12.083 1.00 0.00 C ATOM 1014 O ASN A 63 112.686 -6.792 12.273 1.00 0.00 O ATOM 1015 CB ASN A 63 112.498 -4.029 13.930 1.00 0.00 C ATOM 1016 CG ASN A 63 113.106 -2.857 14.706 1.00 0.00 C ATOM 1017 OD1 ASN A 63 113.090 -1.734 14.244 1.00 0.00 O ATOM 1018 ND2 ASN A 63 113.642 -3.074 15.875 1.00 0.00 N ATOM 0 H ASN A 63 114.165 -2.945 12.280 1.00 0.00 H new ATOM 0 HA ASN A 63 114.130 -5.437 13.902 1.00 0.00 H new ATOM 0 HB2 ASN A 63 111.762 -3.663 13.215 1.00 0.00 H new ATOM 0 HB3 ASN A 63 111.974 -4.698 14.612 1.00 0.00 H new ATOM 0 HD21 ASN A 63 114.048 -2.300 16.401 1.00 0.00 H new ATOM 0 HD22 ASN A 63 113.655 -4.017 16.263 1.00 0.00 H new ATOM 1025 N HIS A 64 112.812 -5.067 10.921 1.00 0.00 N ATOM 1026 CA HIS A 64 112.212 -5.850 9.805 1.00 0.00 C ATOM 1027 C HIS A 64 112.813 -5.402 8.471 1.00 0.00 C ATOM 1028 O HIS A 64 113.842 -4.759 8.429 1.00 0.00 O ATOM 1029 CB HIS A 64 110.699 -5.633 9.797 1.00 0.00 C ATOM 1030 CG HIS A 64 110.126 -6.142 11.091 1.00 0.00 C ATOM 1031 ND1 HIS A 64 109.334 -5.356 11.911 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.238 -7.353 11.726 1.00 0.00 C ATOM 1033 CE1 HIS A 64 109.003 -6.096 12.986 1.00 0.00 C ATOM 1034 NE2 HIS A 64 109.528 -7.323 12.922 1.00 0.00 N ATOM 0 H HIS A 64 113.051 -4.101 10.697 1.00 0.00 H new ATOM 0 HA HIS A 64 112.426 -6.909 9.946 1.00 0.00 H new ATOM 0 HB2 HIS A 64 110.471 -4.574 9.675 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.248 -6.156 8.954 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.793 -8.201 11.354 1.00 0.00 H new ATOM 0 HE1 HIS A 64 108.388 -5.741 13.800 1.00 0.00 H new ATOM 0 HE2 HIS A 64 109.429 -8.076 13.603 1.00 0.00 H new ATOM 1042 N ASN A 65 112.186 -5.751 7.379 1.00 0.00 N ATOM 1043 CA ASN A 65 112.730 -5.355 6.049 1.00 0.00 C ATOM 1044 C ASN A 65 111.868 -4.248 5.438 1.00 0.00 C ATOM 1045 O ASN A 65 110.891 -3.814 6.017 1.00 0.00 O ATOM 1046 CB ASN A 65 112.728 -6.569 5.117 1.00 0.00 C ATOM 1047 CG ASN A 65 113.960 -7.435 5.393 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.541 -7.989 4.483 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.385 -7.576 6.619 1.00 0.00 N ATOM 0 H ASN A 65 111.322 -6.292 7.351 1.00 0.00 H new ATOM 0 HA ASN A 65 113.748 -4.987 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.820 -7.153 5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 65 112.728 -6.241 4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.205 -8.151 6.812 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.897 -7.111 7.385 1.00 0.00 H new ATOM 1056 N ILE A 66 112.224 -3.791 4.267 1.00 0.00 N ATOM 1057 CA ILE A 66 111.431 -2.714 3.610 1.00 0.00 C ATOM 1058 C ILE A 66 111.293 -3.020 2.117 1.00 0.00 C ATOM 1059 O ILE A 66 112.266 -3.058 1.389 1.00 0.00 O ATOM 1060 CB ILE A 66 112.147 -1.372 3.791 1.00 0.00 C ATOM 1061 CG1 ILE A 66 111.947 -0.880 5.225 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.566 -0.338 2.822 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.144 -1.294 6.082 1.00 0.00 C ATOM 0 H ILE A 66 113.032 -4.118 3.737 1.00 0.00 H new ATOM 0 HA ILE A 66 110.441 -2.663 4.063 1.00 0.00 H new ATOM 0 HB ILE A 66 113.210 -1.503 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 66 111.837 0.204 5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.029 -1.298 5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.079 0.614 2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.702 -0.683 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.503 -0.208 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.999 -0.942 7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.233 -2.380 6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.054 -0.855 5.673 1.00 0.00 H new ATOM 1075 N LEU A 67 110.094 -3.233 1.653 1.00 0.00 N ATOM 1076 CA LEU A 67 109.898 -3.527 0.206 1.00 0.00 C ATOM 1077 C LEU A 67 109.563 -2.231 -0.527 1.00 0.00 C ATOM 1078 O LEU A 67 108.463 -1.724 -0.458 1.00 0.00 O ATOM 1079 CB LEU A 67 108.752 -4.534 0.037 1.00 0.00 C ATOM 1080 CG LEU A 67 108.300 -4.587 -1.427 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.657 -5.945 -2.028 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.786 -4.396 -1.499 1.00 0.00 C ATOM 0 H LEU A 67 109.241 -3.216 2.213 1.00 0.00 H new ATOM 0 HA LEU A 67 110.810 -3.954 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.078 -5.523 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.914 -4.251 0.673 1.00 0.00 H new ATOM 0 HG LEU A 67 108.801 -3.796 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.334 -5.979 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.736 -6.093 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.156 -6.734 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.464 -4.433 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.292 -5.189 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.521 -3.429 -1.072 1.00 0.00 H new ATOM 1094 N PHE A 68 110.511 -1.709 -1.243 1.00 0.00 N ATOM 1095 CA PHE A 68 110.291 -0.457 -2.009 1.00 0.00 C ATOM 1096 C PHE A 68 109.503 -0.809 -3.268 1.00 0.00 C ATOM 1097 O PHE A 68 109.671 -1.875 -3.819 1.00 0.00 O ATOM 1098 CB PHE A 68 111.662 0.097 -2.413 1.00 0.00 C ATOM 1099 CG PHE A 68 111.775 1.563 -2.078 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.135 2.091 -0.947 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.534 2.400 -2.905 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.253 3.450 -0.651 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.649 3.759 -2.607 1.00 0.00 C ATOM 1104 CZ PHE A 68 112.009 4.284 -1.481 1.00 0.00 C ATOM 0 H PHE A 68 111.447 -2.104 -1.332 1.00 0.00 H new ATOM 0 HA PHE A 68 109.747 0.280 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.448 -0.458 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 68 111.816 -0.048 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.552 1.447 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.031 1.994 -3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.760 3.858 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.233 4.405 -3.247 1.00 0.00 H new ATOM 0 HZ PHE A 68 112.098 5.336 -1.251 1.00 0.00 H new ATOM 1114 N PHE A 69 108.645 0.058 -3.734 1.00 0.00 N ATOM 1115 CA PHE A 69 107.881 -0.282 -4.966 1.00 0.00 C ATOM 1116 C PHE A 69 107.119 0.938 -5.489 1.00 0.00 C ATOM 1117 O PHE A 69 106.254 1.491 -4.830 1.00 0.00 O ATOM 1118 CB PHE A 69 106.921 -1.451 -4.682 1.00 0.00 C ATOM 1119 CG PHE A 69 105.619 -0.968 -4.078 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.556 -0.646 -2.716 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.466 -0.868 -4.872 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.346 -0.221 -2.152 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.259 -0.445 -4.307 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.197 -0.122 -2.949 1.00 0.00 C ATOM 0 H PHE A 69 108.443 0.970 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 69 108.584 -0.589 -5.740 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.716 -1.988 -5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.398 -2.158 -4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.440 -0.725 -2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.511 -1.118 -5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.298 0.030 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.374 -0.368 -4.921 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.264 0.204 -2.513 1.00 0.00 H new ATOM 1134 N LEU A 70 107.438 1.355 -6.686 1.00 0.00 N ATOM 1135 CA LEU A 70 106.740 2.524 -7.285 1.00 0.00 C ATOM 1136 C LEU A 70 105.551 2.008 -8.089 1.00 0.00 C ATOM 1137 O LEU A 70 105.289 0.822 -8.125 1.00 0.00 O ATOM 1138 CB LEU A 70 107.688 3.277 -8.224 1.00 0.00 C ATOM 1139 CG LEU A 70 108.965 3.660 -7.477 1.00 0.00 C ATOM 1140 CD1 LEU A 70 110.160 3.496 -8.414 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.870 5.118 -7.022 1.00 0.00 C ATOM 0 H LEU A 70 108.156 0.932 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 70 106.410 3.201 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 70 107.933 2.654 -9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.199 4.172 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 70 109.090 3.017 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 70 111.075 3.768 -7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 70 110.225 2.459 -8.743 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.034 4.144 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.780 5.393 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 70 108.750 5.764 -7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.012 5.238 -6.360 1.00 0.00 H new ATOM 1153 N THR A 71 104.828 2.874 -8.737 1.00 0.00 N ATOM 1154 CA THR A 71 103.664 2.399 -9.532 1.00 0.00 C ATOM 1155 C THR A 71 103.463 3.299 -10.759 1.00 0.00 C ATOM 1156 O THR A 71 103.952 4.410 -10.796 1.00 0.00 O ATOM 1157 CB THR A 71 102.416 2.431 -8.657 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.226 3.750 -8.164 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.577 1.462 -7.482 1.00 0.00 C ATOM 0 H THR A 71 104.989 3.881 -8.752 1.00 0.00 H new ATOM 0 HA THR A 71 103.848 1.380 -9.872 1.00 0.00 H new ATOM 0 HB THR A 71 101.551 2.130 -9.248 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.337 4.071 -8.422 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.681 1.491 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.723 0.451 -7.862 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.441 1.754 -6.885 1.00 0.00 H new ATOM 1167 N PRO A 72 102.754 2.779 -11.734 1.00 0.00 N ATOM 1168 CA PRO A 72 102.474 3.498 -12.992 1.00 0.00 C ATOM 1169 C PRO A 72 101.368 4.548 -12.812 1.00 0.00 C ATOM 1170 O PRO A 72 101.635 5.681 -12.466 1.00 0.00 O ATOM 1171 CB PRO A 72 102.028 2.388 -13.948 1.00 0.00 C ATOM 1172 CG PRO A 72 101.540 1.218 -13.063 1.00 0.00 C ATOM 1173 CD PRO A 72 102.172 1.423 -11.673 1.00 0.00 C ATOM 0 HA PRO A 72 103.338 4.054 -13.355 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.230 2.738 -14.604 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.852 2.073 -14.588 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.452 1.210 -12.996 1.00 0.00 H new ATOM 0 HG3 PRO A 72 101.840 0.260 -13.487 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.427 1.345 -10.882 1.00 0.00 H new ATOM 0 HD3 PRO A 72 102.934 0.672 -11.468 1.00 0.00 H new ATOM 1181 N HIS A 73 100.130 4.196 -13.065 1.00 0.00 N ATOM 1182 CA HIS A 73 99.041 5.206 -12.925 1.00 0.00 C ATOM 1183 C HIS A 73 99.076 5.814 -11.515 1.00 0.00 C ATOM 1184 O HIS A 73 100.020 5.617 -10.777 1.00 0.00 O ATOM 1185 CB HIS A 73 97.674 4.566 -13.246 1.00 0.00 C ATOM 1186 CG HIS A 73 97.195 3.661 -12.138 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.896 2.538 -11.722 1.00 0.00 N ATOM 1188 CD2 HIS A 73 96.054 3.692 -11.374 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.176 1.948 -10.745 1.00 0.00 C ATOM 1190 NE2 HIS A 73 96.044 2.612 -10.497 1.00 0.00 N ATOM 0 H HIS A 73 99.832 3.266 -13.358 1.00 0.00 H new ATOM 0 HA HIS A 73 99.196 6.014 -13.640 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.938 5.352 -13.415 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.750 3.996 -14.172 1.00 0.00 H new ATOM 0 HD2 HIS A 73 95.280 4.442 -11.444 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.478 1.050 -10.227 1.00 0.00 H new ATOM 0 HE2 HIS A 73 95.326 2.378 -9.812 1.00 0.00 H new ATOM 1198 N ARG A 74 98.087 6.584 -11.144 1.00 0.00 N ATOM 1199 CA ARG A 74 98.114 7.225 -9.792 1.00 0.00 C ATOM 1200 C ARG A 74 97.133 6.531 -8.846 1.00 0.00 C ATOM 1201 O ARG A 74 96.043 6.152 -9.228 1.00 0.00 O ATOM 1202 CB ARG A 74 97.728 8.699 -9.926 1.00 0.00 C ATOM 1203 CG ARG A 74 98.823 9.447 -10.689 1.00 0.00 C ATOM 1204 CD ARG A 74 99.187 10.728 -9.936 1.00 0.00 C ATOM 1205 NE ARG A 74 99.355 11.845 -10.908 1.00 0.00 N ATOM 1206 CZ ARG A 74 99.579 13.056 -10.477 1.00 0.00 C ATOM 1207 NH1 ARG A 74 100.633 13.306 -9.752 1.00 0.00 N ATOM 1208 NH2 ARG A 74 98.748 14.018 -10.776 1.00 0.00 N ATOM 0 H ARG A 74 97.267 6.797 -11.712 1.00 0.00 H new ATOM 0 HA ARG A 74 99.120 7.135 -9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 74 96.777 8.790 -10.451 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.591 9.141 -8.939 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.703 8.813 -10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 74 98.480 9.689 -11.695 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.407 10.973 -9.215 1.00 0.00 H new ATOM 0 HD3 ARG A 74 100.108 10.581 -9.371 1.00 0.00 H new ATOM 0 HE ARG A 74 99.295 11.663 -11.910 1.00 0.00 H new ATOM 0 HH11 ARG A 74 101.283 12.555 -9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 74 100.808 14.253 -9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 74 97.925 13.822 -11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 74 98.922 14.965 -10.440 1.00 0.00 H new ATOM 1222 N HIS A 75 97.520 6.359 -7.610 1.00 0.00 N ATOM 1223 CA HIS A 75 96.622 5.687 -6.623 1.00 0.00 C ATOM 1224 C HIS A 75 96.947 6.213 -5.232 1.00 0.00 C ATOM 1225 O HIS A 75 98.097 6.389 -4.883 1.00 0.00 O ATOM 1226 CB HIS A 75 96.864 4.170 -6.621 1.00 0.00 C ATOM 1227 CG HIS A 75 97.971 3.829 -7.576 1.00 0.00 C ATOM 1228 ND1 HIS A 75 97.837 3.981 -8.942 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.253 3.391 -7.374 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.012 3.649 -9.502 1.00 0.00 C ATOM 1231 NE2 HIS A 75 99.904 3.280 -8.589 1.00 0.00 N ATOM 0 H HIS A 75 98.423 6.656 -7.239 1.00 0.00 H new ATOM 0 HA HIS A 75 95.586 5.892 -6.894 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.122 3.835 -5.616 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.951 3.647 -6.906 1.00 0.00 H new ATOM 0 HD1 HIS A 75 96.999 4.289 -9.435 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.689 3.166 -6.412 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.208 3.678 -10.564 1.00 0.00 H new ATOM 1239 N ARG A 76 95.959 6.443 -4.423 1.00 0.00 N ATOM 1240 CA ARG A 76 96.254 6.926 -3.053 1.00 0.00 C ATOM 1241 C ARG A 76 97.092 5.858 -2.354 1.00 0.00 C ATOM 1242 O ARG A 76 96.780 4.680 -2.406 1.00 0.00 O ATOM 1243 CB ARG A 76 94.948 7.151 -2.288 1.00 0.00 C ATOM 1244 CG ARG A 76 94.602 8.641 -2.299 1.00 0.00 C ATOM 1245 CD ARG A 76 95.338 9.345 -1.158 1.00 0.00 C ATOM 1246 NE ARG A 76 96.776 9.507 -1.516 1.00 0.00 N ATOM 1247 CZ ARG A 76 97.680 9.560 -0.576 1.00 0.00 C ATOM 1248 NH1 ARG A 76 97.619 8.738 0.434 1.00 0.00 N ATOM 1249 NH2 ARG A 76 98.645 10.436 -0.647 1.00 0.00 N ATOM 0 H ARG A 76 94.971 6.320 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 76 96.796 7.871 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.143 6.576 -2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 76 95.049 6.798 -1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.883 9.083 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 76 93.526 8.776 -2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 76 94.888 10.319 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 76 95.244 8.766 -0.239 1.00 0.00 H new ATOM 0 HE ARG A 76 97.053 9.576 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 76 96.865 8.053 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 76 98.325 8.779 1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 76 98.693 11.079 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 76 99.351 10.477 0.088 1.00 0.00 H new ATOM 1263 N VAL A 77 98.162 6.236 -1.712 1.00 0.00 N ATOM 1264 CA VAL A 77 98.990 5.206 -1.041 1.00 0.00 C ATOM 1265 C VAL A 77 98.178 4.590 0.099 1.00 0.00 C ATOM 1266 O VAL A 77 98.531 3.561 0.640 1.00 0.00 O ATOM 1267 CB VAL A 77 100.314 5.814 -0.559 1.00 0.00 C ATOM 1268 CG1 VAL A 77 100.825 5.076 0.683 1.00 0.00 C ATOM 1269 CG2 VAL A 77 101.349 5.680 -1.691 1.00 0.00 C ATOM 0 H VAL A 77 98.492 7.197 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 77 99.252 4.412 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 77 100.159 6.861 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 77 101.765 5.521 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 77 100.088 5.156 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 77 100.986 4.025 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 77 102.299 6.107 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 77 101.488 4.627 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.994 6.212 -2.574 1.00 0.00 H new ATOM 1279 N SER A 78 97.061 5.181 0.426 1.00 0.00 N ATOM 1280 CA SER A 78 96.198 4.590 1.479 1.00 0.00 C ATOM 1281 C SER A 78 95.444 3.429 0.831 1.00 0.00 C ATOM 1282 O SER A 78 95.160 2.423 1.450 1.00 0.00 O ATOM 1283 CB SER A 78 95.207 5.642 1.991 1.00 0.00 C ATOM 1284 OG SER A 78 93.876 5.220 1.719 1.00 0.00 O ATOM 0 H SER A 78 96.713 6.044 0.009 1.00 0.00 H new ATOM 0 HA SER A 78 96.790 4.246 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 78 95.340 5.790 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 78 95.400 6.601 1.511 1.00 0.00 H new ATOM 0 HG SER A 78 93.245 5.894 2.049 1.00 0.00 H new ATOM 1290 N ALA A 79 95.139 3.573 -0.434 1.00 0.00 N ATOM 1291 CA ALA A 79 94.423 2.499 -1.173 1.00 0.00 C ATOM 1292 C ALA A 79 95.322 1.268 -1.263 1.00 0.00 C ATOM 1293 O ALA A 79 94.953 0.189 -0.845 1.00 0.00 O ATOM 1294 CB ALA A 79 94.104 2.979 -2.589 1.00 0.00 C ATOM 0 H ALA A 79 95.360 4.400 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 79 93.499 2.253 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.579 2.192 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.474 3.867 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 79 95.031 3.221 -3.109 1.00 0.00 H new ATOM 1300 N ILE A 80 96.501 1.417 -1.809 1.00 0.00 N ATOM 1301 CA ILE A 80 97.408 0.239 -1.912 1.00 0.00 C ATOM 1302 C ILE A 80 97.831 -0.186 -0.506 1.00 0.00 C ATOM 1303 O ILE A 80 98.179 -1.329 -0.268 1.00 0.00 O ATOM 1304 CB ILE A 80 98.640 0.587 -2.741 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.184 1.201 -4.078 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.453 -0.693 -2.981 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.172 0.858 -5.197 1.00 0.00 C ATOM 0 H ILE A 80 96.870 2.291 -2.183 1.00 0.00 H new ATOM 0 HA ILE A 80 96.882 -0.579 -2.404 1.00 0.00 H new ATOM 0 HB ILE A 80 99.266 1.310 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.192 0.829 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 80 98.102 2.283 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.337 -0.457 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.759 -1.114 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 80 98.840 -1.418 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.831 1.301 -6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.157 1.252 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 80 99.233 -0.224 -5.310 1.00 0.00 H new ATOM 1319 N ASN A 81 97.779 0.715 0.439 1.00 0.00 N ATOM 1320 CA ASN A 81 98.146 0.332 1.826 1.00 0.00 C ATOM 1321 C ASN A 81 97.293 -0.878 2.184 1.00 0.00 C ATOM 1322 O ASN A 81 97.687 -1.743 2.942 1.00 0.00 O ATOM 1323 CB ASN A 81 97.842 1.488 2.783 1.00 0.00 C ATOM 1324 CG ASN A 81 97.909 0.987 4.228 1.00 0.00 C ATOM 1325 OD1 ASN A 81 96.855 0.439 4.765 1.00 0.00 O flip ATOM 1326 ND2 ASN A 81 98.931 1.099 4.874 1.00 0.00 N flip ATOM 0 H ASN A 81 97.501 1.688 0.310 1.00 0.00 H new ATOM 0 HA ASN A 81 99.208 0.101 1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.559 2.296 2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.853 1.896 2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 81 99.756 1.528 4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 81 98.965 0.764 5.837 1.00 0.00 H new ATOM 1333 N ASN A 82 96.127 -0.948 1.601 1.00 0.00 N ATOM 1334 CA ASN A 82 95.225 -2.101 1.842 1.00 0.00 C ATOM 1335 C ASN A 82 95.783 -3.299 1.075 1.00 0.00 C ATOM 1336 O ASN A 82 95.777 -4.413 1.555 1.00 0.00 O ATOM 1337 CB ASN A 82 93.823 -1.758 1.333 1.00 0.00 C ATOM 1338 CG ASN A 82 92.909 -2.976 1.472 1.00 0.00 C ATOM 1339 OD1 ASN A 82 93.231 -3.919 2.166 1.00 0.00 O ATOM 1340 ND2 ASN A 82 91.770 -2.993 0.835 1.00 0.00 N ATOM 0 H ASN A 82 95.760 -0.244 0.960 1.00 0.00 H new ATOM 0 HA ASN A 82 95.164 -2.333 2.905 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.416 -0.920 1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.871 -1.445 0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 82 91.150 -3.799 0.920 1.00 0.00 H new ATOM 0 HD22 ASN A 82 91.500 -2.201 0.252 1.00 0.00 H new ATOM 1347 N TYR A 83 96.292 -3.067 -0.112 1.00 0.00 N ATOM 1348 CA TYR A 83 96.883 -4.181 -0.905 1.00 0.00 C ATOM 1349 C TYR A 83 97.737 -5.030 0.033 1.00 0.00 C ATOM 1350 O TYR A 83 97.531 -6.218 0.181 1.00 0.00 O ATOM 1351 CB TYR A 83 97.773 -3.597 -2.012 1.00 0.00 C ATOM 1352 CG TYR A 83 98.346 -4.707 -2.870 1.00 0.00 C ATOM 1353 CD1 TYR A 83 99.224 -5.652 -2.318 1.00 0.00 C ATOM 1354 CD2 TYR A 83 97.999 -4.790 -4.226 1.00 0.00 C ATOM 1355 CE1 TYR A 83 99.748 -6.671 -3.117 1.00 0.00 C ATOM 1356 CE2 TYR A 83 98.528 -5.810 -5.022 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.399 -6.749 -4.469 1.00 0.00 C ATOM 1358 OH TYR A 83 99.911 -7.755 -5.256 1.00 0.00 O ATOM 0 H TYR A 83 96.322 -2.152 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 83 96.097 -4.787 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 83 97.193 -2.913 -2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 83 98.582 -3.017 -1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 83 99.495 -5.592 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 83 97.323 -4.066 -4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 83 100.423 -7.399 -2.691 1.00 0.00 H new ATOM 0 HE2 TYR A 83 98.262 -5.871 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 83 99.567 -7.663 -6.169 1.00 0.00 H new ATOM 1368 N ALA A 84 98.696 -4.418 0.673 1.00 0.00 N ATOM 1369 CA ALA A 84 99.568 -5.178 1.611 1.00 0.00 C ATOM 1370 C ALA A 84 98.750 -5.584 2.836 1.00 0.00 C ATOM 1371 O ALA A 84 99.020 -6.583 3.473 1.00 0.00 O ATOM 1372 CB ALA A 84 100.743 -4.297 2.044 1.00 0.00 C ATOM 0 H ALA A 84 98.913 -3.425 0.586 1.00 0.00 H new ATOM 0 HA ALA A 84 99.953 -6.070 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.381 -4.853 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.321 -4.005 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.364 -3.405 2.543 1.00 0.00 H new ATOM 1378 N GLN A 85 97.746 -4.819 3.169 1.00 0.00 N ATOM 1379 CA GLN A 85 96.904 -5.162 4.348 1.00 0.00 C ATOM 1380 C GLN A 85 96.122 -6.441 4.050 1.00 0.00 C ATOM 1381 O GLN A 85 95.593 -7.082 4.938 1.00 0.00 O ATOM 1382 CB GLN A 85 95.928 -4.019 4.628 1.00 0.00 C ATOM 1383 CG GLN A 85 95.640 -3.948 6.129 1.00 0.00 C ATOM 1384 CD GLN A 85 96.416 -2.783 6.744 1.00 0.00 C ATOM 1385 OE1 GLN A 85 97.589 -3.003 7.272 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 95.952 -1.660 6.745 1.00 0.00 N flip ATOM 0 H GLN A 85 97.473 -3.970 2.674 1.00 0.00 H new ATOM 0 HA GLN A 85 97.539 -5.315 5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.349 -3.075 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.001 -4.175 4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.571 -3.817 6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.927 -4.883 6.609 1.00 0.00 H new ATOM 0 HE21 GLN A 85 95.035 -1.487 6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 85 96.479 -0.891 7.158 1.00 0.00 H new ATOM 1395 N LYS A 86 96.049 -6.822 2.804 1.00 0.00 N ATOM 1396 CA LYS A 86 95.308 -8.060 2.444 1.00 0.00 C ATOM 1397 C LYS A 86 96.218 -9.263 2.684 1.00 0.00 C ATOM 1398 O LYS A 86 95.766 -10.381 2.837 1.00 0.00 O ATOM 1399 CB LYS A 86 94.910 -8.003 0.967 1.00 0.00 C ATOM 1400 CG LYS A 86 93.832 -9.050 0.684 1.00 0.00 C ATOM 1401 CD LYS A 86 93.435 -8.988 -0.791 1.00 0.00 C ATOM 1402 CE LYS A 86 94.123 -10.122 -1.553 1.00 0.00 C ATOM 1403 NZ LYS A 86 93.090 -11.025 -2.135 1.00 0.00 N ATOM 0 H LYS A 86 96.472 -6.327 2.019 1.00 0.00 H new ATOM 0 HA LYS A 86 94.409 -8.149 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.539 -7.009 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.781 -8.185 0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 86 94.203 -10.045 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.961 -8.870 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.353 -9.073 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.720 -8.025 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 86 94.753 -9.714 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 86 94.775 -10.682 -0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 93.556 -11.797 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 92.507 -11.423 -1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.485 -10.486 -2.787 1.00 0.00 H new ATOM 1417 N LEU A 87 97.502 -9.037 2.722 1.00 0.00 N ATOM 1418 CA LEU A 87 98.453 -10.154 2.959 1.00 0.00 C ATOM 1419 C LEU A 87 98.925 -10.111 4.414 1.00 0.00 C ATOM 1420 O LEU A 87 100.104 -10.160 4.696 1.00 0.00 O ATOM 1421 CB LEU A 87 99.656 -10.002 2.027 1.00 0.00 C ATOM 1422 CG LEU A 87 99.175 -9.976 0.575 1.00 0.00 C ATOM 1423 CD1 LEU A 87 98.831 -8.540 0.175 1.00 0.00 C ATOM 1424 CD2 LEU A 87 100.282 -10.506 -0.335 1.00 0.00 C ATOM 0 H LEU A 87 97.934 -8.121 2.598 1.00 0.00 H new ATOM 0 HA LEU A 87 97.960 -11.106 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.196 -9.084 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.352 -10.828 2.176 1.00 0.00 H new ATOM 0 HG LEU A 87 98.288 -10.602 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 87 98.488 -8.523 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 87 98.042 -8.160 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 87 99.717 -7.912 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.942 -10.488 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 87 101.168 -9.879 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 87 100.528 -11.529 -0.051 1.00 0.00 H new ATOM 1436 N CYS A 88 98.010 -10.013 5.340 1.00 0.00 N ATOM 1437 CA CYS A 88 98.405 -9.960 6.776 1.00 0.00 C ATOM 1438 C CYS A 88 97.967 -11.250 7.474 1.00 0.00 C ATOM 1439 O CYS A 88 96.938 -11.299 8.118 1.00 0.00 O ATOM 1440 CB CYS A 88 97.727 -8.762 7.446 1.00 0.00 C ATOM 1441 SG CYS A 88 98.482 -8.467 9.064 1.00 0.00 S ATOM 0 H CYS A 88 97.006 -9.967 5.164 1.00 0.00 H new ATOM 0 HA CYS A 88 99.487 -9.856 6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 88 97.828 -7.876 6.819 1.00 0.00 H new ATOM 0 HB3 CYS A 88 96.660 -8.952 7.560 1.00 0.00 H new ATOM 0 HG CYS A 88 99.677 -8.978 9.085 1.00 0.00 H new ATOM 1447 N THR A 89 98.741 -12.294 7.352 1.00 0.00 N ATOM 1448 CA THR A 89 98.368 -13.577 8.010 1.00 0.00 C ATOM 1449 C THR A 89 99.628 -14.250 8.562 1.00 0.00 C ATOM 1450 O THR A 89 99.605 -15.395 8.966 1.00 0.00 O ATOM 1451 CB THR A 89 97.701 -14.500 6.988 1.00 0.00 C ATOM 1452 OG1 THR A 89 98.684 -15.004 6.094 1.00 0.00 O ATOM 1453 CG2 THR A 89 96.648 -13.718 6.203 1.00 0.00 C ATOM 0 H THR A 89 99.614 -12.313 6.826 1.00 0.00 H new ATOM 0 HA THR A 89 97.673 -13.379 8.827 1.00 0.00 H new ATOM 0 HB THR A 89 97.222 -15.330 7.507 1.00 0.00 H new ATOM 0 HG1 THR A 89 99.391 -14.336 5.975 1.00 0.00 H new ATOM 0 HG21 THR A 89 96.173 -14.376 5.475 1.00 0.00 H new ATOM 0 HG22 THR A 89 95.894 -13.333 6.890 1.00 0.00 H new ATOM 0 HG23 THR A 89 97.124 -12.887 5.684 1.00 0.00 H new ATOM 1461 N PHE A 90 100.727 -13.547 8.582 1.00 0.00 N ATOM 1462 CA PHE A 90 101.987 -14.148 9.108 1.00 0.00 C ATOM 1463 C PHE A 90 102.599 -13.216 10.158 1.00 0.00 C ATOM 1464 O PHE A 90 102.938 -13.634 11.247 1.00 0.00 O ATOM 1465 CB PHE A 90 102.994 -14.361 7.968 1.00 0.00 C ATOM 1466 CG PHE A 90 102.629 -13.506 6.776 1.00 0.00 C ATOM 1467 CD1 PHE A 90 101.569 -13.884 5.943 1.00 0.00 C ATOM 1468 CD2 PHE A 90 103.353 -12.339 6.500 1.00 0.00 C ATOM 1469 CE1 PHE A 90 101.232 -13.096 4.836 1.00 0.00 C ATOM 1470 CE2 PHE A 90 103.016 -11.551 5.392 1.00 0.00 C ATOM 1471 CZ PHE A 90 101.955 -11.931 4.560 1.00 0.00 C ATOM 0 H PHE A 90 100.808 -12.583 8.257 1.00 0.00 H new ATOM 0 HA PHE A 90 101.754 -15.112 9.560 1.00 0.00 H new ATOM 0 HB2 PHE A 90 103.998 -14.110 8.310 1.00 0.00 H new ATOM 0 HB3 PHE A 90 103.009 -15.412 7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 90 101.011 -14.784 6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 90 104.171 -12.047 7.142 1.00 0.00 H new ATOM 0 HE1 PHE A 90 100.413 -13.388 4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 90 103.574 -10.651 5.179 1.00 0.00 H new ATOM 0 HZ PHE A 90 101.695 -11.324 3.705 1.00 0.00 H new ATOM 1481 N SER A 91 102.745 -11.958 9.842 1.00 0.00 N ATOM 1482 CA SER A 91 103.338 -11.009 10.826 1.00 0.00 C ATOM 1483 C SER A 91 102.648 -9.648 10.712 1.00 0.00 C ATOM 1484 O SER A 91 101.635 -9.506 10.057 1.00 0.00 O ATOM 1485 CB SER A 91 104.832 -10.849 10.542 1.00 0.00 C ATOM 1486 OG SER A 91 105.542 -10.808 11.772 1.00 0.00 O ATOM 0 H SER A 91 102.480 -11.547 8.947 1.00 0.00 H new ATOM 0 HA SER A 91 103.198 -11.400 11.834 1.00 0.00 H new ATOM 0 HB2 SER A 91 105.188 -11.678 9.931 1.00 0.00 H new ATOM 0 HB3 SER A 91 105.010 -9.935 9.975 1.00 0.00 H new ATOM 0 HG SER A 91 106.064 -11.631 11.876 1.00 0.00 H new ATOM 1492 N PHE A 92 103.189 -8.644 11.348 1.00 0.00 N ATOM 1493 CA PHE A 92 102.565 -7.293 11.281 1.00 0.00 C ATOM 1494 C PHE A 92 102.679 -6.746 9.855 1.00 0.00 C ATOM 1495 O PHE A 92 103.117 -7.428 8.950 1.00 0.00 O ATOM 1496 CB PHE A 92 103.287 -6.350 12.252 1.00 0.00 C ATOM 1497 CG PHE A 92 104.606 -5.917 11.655 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.711 -6.772 11.706 1.00 0.00 C ATOM 1499 CD2 PHE A 92 104.719 -4.663 11.042 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.928 -6.375 11.145 1.00 0.00 C ATOM 1501 CE2 PHE A 92 105.937 -4.265 10.483 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.043 -5.121 10.534 1.00 0.00 C ATOM 0 H PHE A 92 104.037 -8.702 11.912 1.00 0.00 H new ATOM 0 HA PHE A 92 101.513 -7.364 11.557 1.00 0.00 H new ATOM 0 HB2 PHE A 92 102.666 -5.478 12.457 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.455 -6.852 13.205 1.00 0.00 H new ATOM 0 HD1 PHE A 92 105.624 -7.739 12.179 1.00 0.00 H new ATOM 0 HD2 PHE A 92 103.865 -4.003 11.001 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.781 -7.037 11.183 1.00 0.00 H new ATOM 0 HE2 PHE A 92 106.024 -3.297 10.012 1.00 0.00 H new ATOM 0 HZ PHE A 92 107.984 -4.814 10.102 1.00 0.00 H new ATOM 1512 N LEU A 93 102.296 -5.515 9.651 1.00 0.00 N ATOM 1513 CA LEU A 93 102.390 -4.921 8.289 1.00 0.00 C ATOM 1514 C LEU A 93 102.354 -3.395 8.394 1.00 0.00 C ATOM 1515 O LEU A 93 101.386 -2.817 8.849 1.00 0.00 O ATOM 1516 CB LEU A 93 101.214 -5.402 7.438 1.00 0.00 C ATOM 1517 CG LEU A 93 101.252 -4.701 6.081 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.591 -5.718 4.991 1.00 0.00 C ATOM 1519 CD2 LEU A 93 99.884 -4.081 5.793 1.00 0.00 C ATOM 0 H LEU A 93 101.922 -4.895 10.370 1.00 0.00 H new ATOM 0 HA LEU A 93 103.325 -5.231 7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.266 -6.482 7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.273 -5.188 7.944 1.00 0.00 H new ATOM 0 HG LEU A 93 102.011 -3.919 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.618 -5.218 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.565 -6.162 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.832 -6.500 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.908 -3.580 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.126 -4.864 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.642 -3.357 6.571 1.00 0.00 H new ATOM 1531 N ILE A 94 103.399 -2.734 7.976 1.00 0.00 N ATOM 1532 CA ILE A 94 103.415 -1.245 8.053 1.00 0.00 C ATOM 1533 C ILE A 94 103.677 -0.664 6.661 1.00 0.00 C ATOM 1534 O ILE A 94 104.777 -0.258 6.343 1.00 0.00 O ATOM 1535 CB ILE A 94 104.517 -0.791 9.012 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.177 -1.250 10.434 1.00 0.00 C ATOM 1537 CG2 ILE A 94 104.617 0.735 8.983 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.465 -1.394 11.246 1.00 0.00 C ATOM 0 H ILE A 94 104.240 -3.159 7.586 1.00 0.00 H new ATOM 0 HA ILE A 94 102.451 -0.892 8.419 1.00 0.00 H new ATOM 0 HB ILE A 94 105.468 -1.226 8.706 1.00 0.00 H new ATOM 0 HG12 ILE A 94 103.513 -0.529 10.911 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.646 -2.201 10.403 1.00 0.00 H new ATOM 0 HG21 ILE A 94 105.402 1.061 9.666 1.00 0.00 H new ATOM 0 HG22 ILE A 94 104.855 1.065 7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.665 1.168 9.291 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.223 -1.720 12.257 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.113 -2.131 10.772 1.00 0.00 H new ATOM 0 HD13 ILE A 94 105.978 -0.433 11.288 1.00 0.00 H new ATOM 1550 N CYS A 95 102.671 -0.619 5.828 1.00 0.00 N ATOM 1551 CA CYS A 95 102.859 -0.065 4.457 1.00 0.00 C ATOM 1552 C CYS A 95 102.725 1.461 4.503 1.00 0.00 C ATOM 1553 O CYS A 95 102.084 2.010 5.377 1.00 0.00 O ATOM 1554 CB CYS A 95 101.790 -0.645 3.526 1.00 0.00 C ATOM 1555 SG CYS A 95 101.811 0.240 1.948 1.00 0.00 S ATOM 0 H CYS A 95 101.727 -0.942 6.039 1.00 0.00 H new ATOM 0 HA CYS A 95 103.849 -0.331 4.086 1.00 0.00 H new ATOM 0 HB2 CYS A 95 101.975 -1.707 3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.807 -0.561 3.988 1.00 0.00 H new ATOM 0 HG CYS A 95 101.239 -0.487 1.035 1.00 0.00 H new ATOM 1561 N LYS A 96 103.325 2.154 3.571 1.00 0.00 N ATOM 1562 CA LYS A 96 103.226 3.643 3.573 1.00 0.00 C ATOM 1563 C LYS A 96 103.562 4.185 2.180 1.00 0.00 C ATOM 1564 O LYS A 96 103.717 3.439 1.234 1.00 0.00 O ATOM 1565 CB LYS A 96 104.209 4.214 4.597 1.00 0.00 C ATOM 1566 CG LYS A 96 103.443 4.688 5.834 1.00 0.00 C ATOM 1567 CD LYS A 96 104.090 4.102 7.091 1.00 0.00 C ATOM 1568 CE LYS A 96 104.263 5.205 8.137 1.00 0.00 C ATOM 1569 NZ LYS A 96 103.368 4.933 9.298 1.00 0.00 N ATOM 0 H LYS A 96 103.877 1.755 2.812 1.00 0.00 H new ATOM 0 HA LYS A 96 102.211 3.939 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.939 3.455 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.764 5.044 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.449 5.777 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 96 102.400 4.377 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 96 103.470 3.300 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 96 105.058 3.665 6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 96 105.301 5.249 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 96 104.026 6.175 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 103.485 5.682 10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.379 4.912 8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.615 4.015 9.719 1.00 0.00 H new ATOM 1583 N GLY A 97 103.678 5.482 2.048 1.00 0.00 N ATOM 1584 CA GLY A 97 104.008 6.073 0.719 1.00 0.00 C ATOM 1585 C GLY A 97 105.200 7.020 0.872 1.00 0.00 C ATOM 1586 O GLY A 97 105.571 7.392 1.968 1.00 0.00 O ATOM 0 H GLY A 97 103.558 6.156 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 97 104.244 5.284 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.148 6.613 0.324 1.00 0.00 H new ATOM 1590 N VAL A 98 105.808 7.414 -0.215 1.00 0.00 N ATOM 1591 CA VAL A 98 106.978 8.334 -0.114 1.00 0.00 C ATOM 1592 C VAL A 98 106.893 9.400 -1.208 1.00 0.00 C ATOM 1593 O VAL A 98 106.312 9.188 -2.252 1.00 0.00 O ATOM 1594 CB VAL A 98 108.270 7.535 -0.282 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.469 8.416 0.075 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.240 6.320 0.646 1.00 0.00 C ATOM 0 H VAL A 98 105.547 7.141 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 98 106.972 8.818 0.863 1.00 0.00 H new ATOM 0 HB VAL A 98 108.359 7.204 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.389 7.844 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.492 9.284 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.381 8.748 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 98 109.161 5.749 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.151 6.654 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.387 5.690 0.393 1.00 0.00 H new ATOM 1606 N ASN A 99 107.472 10.547 -0.974 1.00 0.00 N ATOM 1607 CA ASN A 99 107.428 11.628 -2.000 1.00 0.00 C ATOM 1608 C ASN A 99 108.700 11.578 -2.850 1.00 0.00 C ATOM 1609 O ASN A 99 108.649 11.620 -4.063 1.00 0.00 O ATOM 1610 CB ASN A 99 107.334 12.989 -1.304 1.00 0.00 C ATOM 1611 CG ASN A 99 105.992 13.103 -0.580 1.00 0.00 C ATOM 1612 OD1 ASN A 99 104.969 12.712 -1.105 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.952 13.627 0.615 1.00 0.00 N ATOM 0 H ASN A 99 107.973 10.782 -0.117 1.00 0.00 H new ATOM 0 HA ASN A 99 106.557 11.485 -2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 99 108.153 13.103 -0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.433 13.791 -2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 99 105.062 13.708 1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 99 106.811 13.956 1.057 1.00 0.00 H new ATOM 1620 N LYS A 100 109.842 11.488 -2.224 1.00 0.00 N ATOM 1621 CA LYS A 100 111.115 11.437 -3.000 1.00 0.00 C ATOM 1622 C LYS A 100 111.689 10.017 -2.947 1.00 0.00 C ATOM 1623 O LYS A 100 112.617 9.738 -2.211 1.00 0.00 O ATOM 1624 CB LYS A 100 112.121 12.422 -2.397 1.00 0.00 C ATOM 1625 CG LYS A 100 111.586 13.850 -2.538 1.00 0.00 C ATOM 1626 CD LYS A 100 112.730 14.849 -2.348 1.00 0.00 C ATOM 1627 CE LYS A 100 112.434 16.124 -3.142 1.00 0.00 C ATOM 1628 NZ LYS A 100 111.222 16.787 -2.585 1.00 0.00 N ATOM 0 H LYS A 100 109.949 11.448 -1.210 1.00 0.00 H new ATOM 0 HA LYS A 100 110.920 11.710 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 100 112.290 12.188 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 100 113.083 12.331 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.133 13.984 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 100 110.805 14.031 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 100 112.848 15.086 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.670 14.410 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.287 16.801 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 100 112.278 15.882 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 111.118 17.732 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 110.382 16.215 -2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 111.319 16.878 -1.554 1.00 0.00 H new ATOM 1642 N GLU A 101 111.143 9.120 -3.722 1.00 0.00 N ATOM 1643 CA GLU A 101 111.651 7.718 -3.721 1.00 0.00 C ATOM 1644 C GLU A 101 113.152 7.717 -4.017 1.00 0.00 C ATOM 1645 O GLU A 101 113.906 6.965 -3.438 1.00 0.00 O ATOM 1646 CB GLU A 101 110.919 6.912 -4.798 1.00 0.00 C ATOM 1647 CG GLU A 101 110.612 5.509 -4.269 1.00 0.00 C ATOM 1648 CD GLU A 101 111.125 4.465 -5.263 1.00 0.00 C ATOM 1649 OE1 GLU A 101 111.377 4.829 -6.398 1.00 0.00 O ATOM 1650 OE2 GLU A 101 111.251 3.318 -4.875 1.00 0.00 O ATOM 0 H GLU A 101 110.365 9.298 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 101 111.474 7.268 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 101 109.994 7.416 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.532 6.847 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 101 111.084 5.364 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 101 109.538 5.391 -4.123 1.00 0.00 H new ATOM 1657 N TYR A 102 113.589 8.549 -4.922 1.00 0.00 N ATOM 1658 CA TYR A 102 115.042 8.598 -5.265 1.00 0.00 C ATOM 1659 C TYR A 102 115.887 8.546 -3.990 1.00 0.00 C ATOM 1660 O TYR A 102 116.625 7.609 -3.762 1.00 0.00 O ATOM 1661 CB TYR A 102 115.348 9.900 -6.013 1.00 0.00 C ATOM 1662 CG TYR A 102 116.819 9.956 -6.367 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.781 10.165 -5.367 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.220 9.797 -7.699 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.140 10.215 -5.704 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.578 9.847 -8.033 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.538 10.055 -7.036 1.00 0.00 C ATOM 1668 OH TYR A 102 120.877 10.105 -7.367 1.00 0.00 O ATOM 0 H TYR A 102 113.001 9.200 -5.442 1.00 0.00 H new ATOM 0 HA TYR A 102 115.284 7.741 -5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.744 9.960 -6.919 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.081 10.757 -5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.474 10.287 -4.339 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.481 9.636 -8.469 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.881 10.377 -4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.886 9.725 -9.061 1.00 0.00 H new ATOM 0 HH TYR A 102 120.980 9.974 -8.333 1.00 0.00 H new ATOM 1678 N LEU A 103 115.801 9.556 -3.170 1.00 0.00 N ATOM 1679 CA LEU A 103 116.619 9.577 -1.927 1.00 0.00 C ATOM 1680 C LEU A 103 116.264 8.390 -1.031 1.00 0.00 C ATOM 1681 O LEU A 103 117.104 7.578 -0.709 1.00 0.00 O ATOM 1682 CB LEU A 103 116.356 10.877 -1.166 1.00 0.00 C ATOM 1683 CG LEU A 103 117.649 11.687 -1.061 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.465 12.804 -0.034 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.796 10.775 -0.620 1.00 0.00 C ATOM 0 H LEU A 103 115.199 10.368 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 103 117.672 9.511 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 103 115.591 11.461 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.973 10.655 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 103 117.885 12.118 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.385 13.383 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.651 13.457 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.227 12.370 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 103 119.715 11.356 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 103 118.562 10.341 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.928 9.977 -1.351 1.00 0.00 H new ATOM 1697 N MET A 104 115.032 8.294 -0.613 1.00 0.00 N ATOM 1698 CA MET A 104 114.629 7.168 0.279 1.00 0.00 C ATOM 1699 C MET A 104 115.303 5.866 -0.176 1.00 0.00 C ATOM 1700 O MET A 104 115.577 4.990 0.620 1.00 0.00 O ATOM 1701 CB MET A 104 113.107 7.018 0.237 1.00 0.00 C ATOM 1702 CG MET A 104 112.682 5.764 1.007 1.00 0.00 C ATOM 1703 SD MET A 104 112.382 6.192 2.739 1.00 0.00 S ATOM 1704 CE MET A 104 111.593 4.636 3.219 1.00 0.00 C ATOM 0 H MET A 104 114.285 8.947 -0.850 1.00 0.00 H new ATOM 0 HA MET A 104 114.945 7.380 1.300 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.635 7.899 0.672 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.768 6.952 -0.797 1.00 0.00 H new ATOM 0 HG2 MET A 104 111.780 5.341 0.564 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.458 5.002 0.939 1.00 0.00 H new ATOM 0 HE1 MET A 104 111.701 4.490 4.294 1.00 0.00 H new ATOM 0 HE2 MET A 104 110.534 4.671 2.962 1.00 0.00 H new ATOM 0 HE3 MET A 104 112.068 3.809 2.691 1.00 0.00 H new ATOM 1714 N TYR A 105 115.583 5.733 -1.444 1.00 0.00 N ATOM 1715 CA TYR A 105 116.247 4.489 -1.932 1.00 0.00 C ATOM 1716 C TYR A 105 117.753 4.577 -1.659 1.00 0.00 C ATOM 1717 O TYR A 105 118.315 3.744 -0.979 1.00 0.00 O ATOM 1718 CB TYR A 105 115.996 4.329 -3.437 1.00 0.00 C ATOM 1719 CG TYR A 105 116.951 3.310 -4.015 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.601 1.951 -4.049 1.00 0.00 C ATOM 1721 CD2 TYR A 105 118.189 3.724 -4.517 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.489 1.014 -4.584 1.00 0.00 C ATOM 1723 CE2 TYR A 105 119.078 2.787 -5.051 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.729 1.431 -5.085 1.00 0.00 C ATOM 1725 OH TYR A 105 119.607 0.506 -5.613 1.00 0.00 O ATOM 0 H TYR A 105 115.382 6.429 -2.162 1.00 0.00 H new ATOM 0 HA TYR A 105 115.837 3.625 -1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.967 4.015 -3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.126 5.287 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.645 1.630 -3.662 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.459 4.770 -4.492 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.219 -0.031 -4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 105 120.034 3.109 -5.437 1.00 0.00 H new ATOM 0 HH TYR A 105 120.419 0.962 -5.917 1.00 0.00 H new ATOM 1735 N SER A 106 118.409 5.581 -2.180 1.00 0.00 N ATOM 1736 CA SER A 106 119.875 5.714 -1.939 1.00 0.00 C ATOM 1737 C SER A 106 120.167 5.445 -0.462 1.00 0.00 C ATOM 1738 O SER A 106 120.987 4.616 -0.120 1.00 0.00 O ATOM 1739 CB SER A 106 120.326 7.131 -2.302 1.00 0.00 C ATOM 1740 OG SER A 106 121.548 7.420 -1.635 1.00 0.00 O ATOM 0 H SER A 106 117.995 6.311 -2.759 1.00 0.00 H new ATOM 0 HA SER A 106 120.416 4.996 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.458 7.218 -3.381 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.562 7.853 -2.015 1.00 0.00 H new ATOM 0 HG SER A 106 121.841 8.326 -1.866 1.00 0.00 H new ATOM 1746 N ALA A 107 119.494 6.137 0.415 1.00 0.00 N ATOM 1747 CA ALA A 107 119.721 5.921 1.870 1.00 0.00 C ATOM 1748 C ALA A 107 119.405 4.463 2.219 1.00 0.00 C ATOM 1749 O ALA A 107 120.103 3.832 2.987 1.00 0.00 O ATOM 1750 CB ALA A 107 118.803 6.851 2.670 1.00 0.00 C ATOM 0 H ALA A 107 118.795 6.844 0.186 1.00 0.00 H new ATOM 0 HA ALA A 107 120.760 6.137 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.967 6.695 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 107 119.025 7.888 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.763 6.633 2.427 1.00 0.00 H new ATOM 1756 N LEU A 108 118.355 3.926 1.657 1.00 0.00 N ATOM 1757 CA LEU A 108 117.986 2.511 1.951 1.00 0.00 C ATOM 1758 C LEU A 108 119.119 1.576 1.519 1.00 0.00 C ATOM 1759 O LEU A 108 119.243 0.470 2.007 1.00 0.00 O ATOM 1760 CB LEU A 108 116.717 2.150 1.173 1.00 0.00 C ATOM 1761 CG LEU A 108 115.482 2.499 2.003 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.228 2.013 1.273 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.572 1.820 3.372 1.00 0.00 C ATOM 0 H LEU A 108 117.736 4.408 1.005 1.00 0.00 H new ATOM 0 HA LEU A 108 117.814 2.400 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.694 2.690 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.717 1.087 0.934 1.00 0.00 H new ATOM 0 HG LEU A 108 115.430 3.579 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.345 2.260 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.162 2.499 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.282 0.933 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.690 2.071 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.624 0.739 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.466 2.166 3.892 1.00 0.00 H new ATOM 1775 N THR A 109 119.941 2.003 0.600 1.00 0.00 N ATOM 1776 CA THR A 109 121.054 1.130 0.133 1.00 0.00 C ATOM 1777 C THR A 109 122.284 1.334 1.019 1.00 0.00 C ATOM 1778 O THR A 109 123.115 0.458 1.153 1.00 0.00 O ATOM 1779 CB THR A 109 121.407 1.487 -1.313 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.289 2.600 -1.321 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.130 1.839 -2.078 1.00 0.00 C ATOM 0 H THR A 109 119.890 2.918 0.153 1.00 0.00 H new ATOM 0 HA THR A 109 120.739 0.088 0.190 1.00 0.00 H new ATOM 0 HB THR A 109 121.891 0.636 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.790 3.414 -1.101 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.381 2.093 -3.108 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.454 0.984 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.644 2.691 -1.602 1.00 0.00 H new ATOM 1789 N ARG A 110 122.410 2.483 1.622 1.00 0.00 N ATOM 1790 CA ARG A 110 123.589 2.739 2.493 1.00 0.00 C ATOM 1791 C ARG A 110 123.276 2.302 3.923 1.00 0.00 C ATOM 1792 O ARG A 110 122.197 2.534 4.431 1.00 0.00 O ATOM 1793 CB ARG A 110 123.923 4.231 2.479 1.00 0.00 C ATOM 1794 CG ARG A 110 125.392 4.428 2.850 1.00 0.00 C ATOM 1795 CD ARG A 110 125.530 5.664 3.738 1.00 0.00 C ATOM 1796 NE ARG A 110 126.717 6.455 3.306 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.966 7.610 3.857 1.00 0.00 C ATOM 1798 NH1 ARG A 110 126.023 8.244 4.499 1.00 0.00 N ATOM 1799 NH2 ARG A 110 128.158 8.132 3.765 1.00 0.00 N ATOM 0 H ARG A 110 121.748 3.255 1.549 1.00 0.00 H new ATOM 0 HA ARG A 110 124.442 2.172 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.727 4.649 1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.284 4.764 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.768 3.548 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.994 4.545 1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 110 124.629 6.274 3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 110 125.638 5.366 4.781 1.00 0.00 H new ATOM 0 HE ARG A 110 127.334 6.093 2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 110 125.091 7.836 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 110 126.218 9.148 4.930 1.00 0.00 H new ATOM 0 HH21 ARG A 110 128.894 7.637 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 110 128.354 9.036 4.196 1.00 0.00 H new ATOM 1813 N ASP A 111 124.213 1.675 4.580 1.00 0.00 N ATOM 1814 CA ASP A 111 123.970 1.228 5.979 1.00 0.00 C ATOM 1815 C ASP A 111 123.284 2.355 6.756 1.00 0.00 C ATOM 1816 O ASP A 111 123.382 3.508 6.388 1.00 0.00 O ATOM 1817 CB ASP A 111 125.304 0.886 6.644 1.00 0.00 C ATOM 1818 CG ASP A 111 125.870 -0.394 6.027 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.094 -1.150 5.464 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.068 -0.598 6.126 1.00 0.00 O ATOM 0 H ASP A 111 125.136 1.453 4.208 1.00 0.00 H new ATOM 0 HA ASP A 111 123.331 0.345 5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.008 1.707 6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.164 0.754 7.717 1.00 0.00 H new ATOM 1825 N PRO A 112 122.604 1.983 7.810 1.00 0.00 N ATOM 1826 CA PRO A 112 122.494 0.578 8.246 1.00 0.00 C ATOM 1827 C PRO A 112 121.477 -0.176 7.381 1.00 0.00 C ATOM 1828 O PRO A 112 121.144 -1.314 7.650 1.00 0.00 O ATOM 1829 CB PRO A 112 122.003 0.692 9.691 1.00 0.00 C ATOM 1830 CG PRO A 112 121.328 2.078 9.814 1.00 0.00 C ATOM 1831 CD PRO A 112 121.880 2.941 8.665 1.00 0.00 C ATOM 0 HA PRO A 112 123.430 0.027 8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.298 -0.106 9.926 1.00 0.00 H new ATOM 0 HB3 PRO A 112 122.833 0.601 10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.244 1.988 9.745 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.549 2.532 10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.078 3.436 8.118 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.542 3.723 9.037 1.00 0.00 H new ATOM 1839 N PHE A 113 120.983 0.446 6.345 1.00 0.00 N ATOM 1840 CA PHE A 113 119.993 -0.241 5.469 1.00 0.00 C ATOM 1841 C PHE A 113 120.734 -1.088 4.434 1.00 0.00 C ATOM 1842 O PHE A 113 121.369 -0.574 3.535 1.00 0.00 O ATOM 1843 CB PHE A 113 119.129 0.803 4.758 1.00 0.00 C ATOM 1844 CG PHE A 113 118.274 1.516 5.778 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.306 0.807 6.497 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.457 2.884 6.010 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.521 1.466 7.448 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.671 3.542 6.959 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.702 2.833 7.680 1.00 0.00 C ATOM 0 H PHE A 113 121.222 1.398 6.068 1.00 0.00 H new ATOM 0 HA PHE A 113 119.354 -0.885 6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.761 1.518 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.499 0.323 4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.165 -0.249 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.205 3.431 5.456 1.00 0.00 H new ATOM 0 HE1 PHE A 113 115.774 0.919 8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.811 4.598 7.137 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.095 3.342 8.414 1.00 0.00 H new ATOM 1859 N SER A 114 120.661 -2.385 4.556 1.00 0.00 N ATOM 1860 CA SER A 114 121.363 -3.268 3.583 1.00 0.00 C ATOM 1861 C SER A 114 120.441 -3.555 2.398 1.00 0.00 C ATOM 1862 O SER A 114 119.315 -3.101 2.351 1.00 0.00 O ATOM 1863 CB SER A 114 121.740 -4.583 4.264 1.00 0.00 C ATOM 1864 OG SER A 114 120.579 -5.154 4.849 1.00 0.00 O ATOM 0 H SER A 114 120.145 -2.872 5.289 1.00 0.00 H new ATOM 0 HA SER A 114 122.266 -2.771 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 114 122.173 -5.272 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 114 122.498 -4.407 5.027 1.00 0.00 H new ATOM 0 HG SER A 114 119.932 -5.373 4.146 1.00 0.00 H new ATOM 1870 N VAL A 115 120.907 -4.309 1.441 1.00 0.00 N ATOM 1871 CA VAL A 115 120.055 -4.624 0.260 1.00 0.00 C ATOM 1872 C VAL A 115 119.900 -6.140 0.134 1.00 0.00 C ATOM 1873 O VAL A 115 120.783 -6.897 0.489 1.00 0.00 O ATOM 1874 CB VAL A 115 120.714 -4.071 -1.004 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.791 -4.296 -2.202 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.966 -2.571 -0.832 1.00 0.00 C ATOM 0 H VAL A 115 121.840 -4.720 1.426 1.00 0.00 H new ATOM 0 HA VAL A 115 119.073 -4.168 0.387 1.00 0.00 H new ATOM 0 HB VAL A 115 121.661 -4.584 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.261 -3.902 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.609 -5.364 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.844 -3.783 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.436 -2.175 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.018 -2.060 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.624 -2.408 0.022 1.00 0.00 H new ATOM 1886 N ILE A 116 118.782 -6.592 -0.367 1.00 0.00 N ATOM 1887 CA ILE A 116 118.571 -8.059 -0.513 1.00 0.00 C ATOM 1888 C ILE A 116 118.234 -8.386 -1.970 1.00 0.00 C ATOM 1889 O ILE A 116 118.966 -9.085 -2.644 1.00 0.00 O ATOM 1890 CB ILE A 116 117.415 -8.499 0.389 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.402 -7.644 1.658 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.597 -9.968 0.771 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.189 -8.020 2.511 1.00 0.00 C ATOM 0 H ILE A 116 118.007 -6.008 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 116 119.480 -8.587 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 116 116.473 -8.374 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.321 -7.799 2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.363 -6.586 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.774 -10.282 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.607 -10.580 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.540 -10.091 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.178 -7.412 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.276 -7.842 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.248 -9.074 2.783 1.00 0.00 H new ATOM 1905 N GLU A 117 117.131 -7.890 -2.462 1.00 0.00 N ATOM 1906 CA GLU A 117 116.749 -8.175 -3.874 1.00 0.00 C ATOM 1907 C GLU A 117 116.182 -6.905 -4.513 1.00 0.00 C ATOM 1908 O GLU A 117 115.912 -5.930 -3.842 1.00 0.00 O ATOM 1909 CB GLU A 117 115.692 -9.281 -3.902 1.00 0.00 C ATOM 1910 CG GLU A 117 116.185 -10.438 -4.775 1.00 0.00 C ATOM 1911 CD GLU A 117 116.886 -11.476 -3.898 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.799 -11.358 -2.687 1.00 0.00 O ATOM 1913 OE2 GLU A 117 117.499 -12.374 -4.453 1.00 0.00 O ATOM 0 H GLU A 117 116.478 -7.300 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 117 117.627 -8.500 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 117 115.493 -9.634 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 117 114.753 -8.891 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 117 115.346 -10.896 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 117 116.871 -10.067 -5.536 1.00 0.00 H new ATOM 1920 N GLU A 118 116.001 -6.905 -5.807 1.00 0.00 N ATOM 1921 CA GLU A 118 115.452 -5.693 -6.480 1.00 0.00 C ATOM 1922 C GLU A 118 115.376 -5.930 -7.990 1.00 0.00 C ATOM 1923 O GLU A 118 116.282 -6.476 -8.590 1.00 0.00 O ATOM 1924 CB GLU A 118 116.366 -4.498 -6.198 1.00 0.00 C ATOM 1925 CG GLU A 118 117.821 -4.891 -6.453 1.00 0.00 C ATOM 1926 CD GLU A 118 118.583 -4.910 -5.127 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.599 -3.887 -4.463 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.139 -5.945 -4.801 1.00 0.00 O ATOM 0 H GLU A 118 116.209 -7.689 -6.425 1.00 0.00 H new ATOM 0 HA GLU A 118 114.452 -5.489 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.089 -3.658 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.243 -4.170 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 118 117.867 -5.872 -6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.285 -4.184 -7.141 1.00 0.00 H new ATOM 1935 N SER A 119 114.302 -5.520 -8.611 1.00 0.00 N ATOM 1936 CA SER A 119 114.167 -5.717 -10.082 1.00 0.00 C ATOM 1937 C SER A 119 114.993 -4.659 -10.817 1.00 0.00 C ATOM 1938 O SER A 119 115.027 -4.616 -12.031 1.00 0.00 O ATOM 1939 CB SER A 119 112.696 -5.583 -10.481 1.00 0.00 C ATOM 1940 OG SER A 119 112.333 -4.208 -10.476 1.00 0.00 O ATOM 0 H SER A 119 113.512 -5.057 -8.162 1.00 0.00 H new ATOM 0 HA SER A 119 114.528 -6.710 -10.350 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.535 -6.010 -11.471 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.066 -6.140 -9.787 1.00 0.00 H new ATOM 0 HG SER A 119 111.392 -4.117 -10.733 1.00 0.00 H new ATOM 1946 N LEU A 120 115.659 -3.803 -10.090 1.00 0.00 N ATOM 1947 CA LEU A 120 116.482 -2.750 -10.745 1.00 0.00 C ATOM 1948 C LEU A 120 117.938 -2.886 -10.276 1.00 0.00 C ATOM 1949 O LEU A 120 118.197 -2.897 -9.090 1.00 0.00 O ATOM 1950 CB LEU A 120 115.948 -1.371 -10.350 1.00 0.00 C ATOM 1951 CG LEU A 120 115.154 -0.777 -11.517 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.617 0.602 -11.126 1.00 0.00 C ATOM 1953 CD2 LEU A 120 116.069 -0.640 -12.734 1.00 0.00 C ATOM 0 H LEU A 120 115.668 -3.789 -9.070 1.00 0.00 H new ATOM 0 HA LEU A 120 116.432 -2.863 -11.828 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.312 -1.454 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.774 -0.711 -10.085 1.00 0.00 H new ATOM 0 HG LEU A 120 114.319 -1.434 -11.758 1.00 0.00 H new ATOM 0 HD11 LEU A 120 114.053 1.022 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 120 113.965 0.506 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.450 1.261 -10.883 1.00 0.00 H new ATOM 0 HD21 LEU A 120 115.506 -0.217 -13.566 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.904 0.017 -12.489 1.00 0.00 H new ATOM 0 HD23 LEU A 120 116.450 -1.622 -13.015 1.00 0.00 H new ATOM 1965 N PRO A 121 118.844 -2.989 -11.218 1.00 0.00 N ATOM 1966 CA PRO A 121 120.281 -3.129 -10.921 1.00 0.00 C ATOM 1967 C PRO A 121 120.894 -1.767 -10.573 1.00 0.00 C ATOM 1968 O PRO A 121 121.714 -1.244 -11.299 1.00 0.00 O ATOM 1969 CB PRO A 121 120.867 -3.664 -12.231 1.00 0.00 C ATOM 1970 CG PRO A 121 119.875 -3.261 -13.348 1.00 0.00 C ATOM 1971 CD PRO A 121 118.526 -2.981 -12.660 1.00 0.00 C ATOM 0 HA PRO A 121 120.479 -3.780 -10.069 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.854 -3.241 -12.417 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.987 -4.747 -12.190 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.229 -2.378 -13.880 1.00 0.00 H new ATOM 0 HG3 PRO A 121 119.776 -4.059 -14.084 1.00 0.00 H new ATOM 0 HD2 PRO A 121 118.112 -2.022 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.787 -3.743 -12.909 1.00 0.00 H new ATOM 1979 N GLY A 122 120.505 -1.193 -9.468 1.00 0.00 N ATOM 1980 CA GLY A 122 121.070 0.131 -9.081 1.00 0.00 C ATOM 1981 C GLY A 122 119.931 1.098 -8.758 1.00 0.00 C ATOM 1982 O GLY A 122 119.990 2.270 -9.072 1.00 0.00 O ATOM 0 H GLY A 122 119.822 -1.582 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.723 0.020 -8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.680 0.529 -9.892 1.00 0.00 H new ATOM 1986 N GLY A 123 118.892 0.616 -8.133 1.00 0.00 N ATOM 1987 CA GLY A 123 117.749 1.509 -7.793 1.00 0.00 C ATOM 1988 C GLY A 123 117.154 2.090 -9.075 1.00 0.00 C ATOM 1989 O GLY A 123 116.847 1.374 -10.006 1.00 0.00 O ATOM 0 H GLY A 123 118.785 -0.356 -7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 123 116.988 0.951 -7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.085 2.313 -7.139 1.00 0.00 H new ATOM 1993 N LEU A 124 116.989 3.382 -9.131 1.00 0.00 N ATOM 1994 CA LEU A 124 116.410 4.010 -10.353 1.00 0.00 C ATOM 1995 C LEU A 124 117.326 5.133 -10.842 1.00 0.00 C ATOM 1996 O LEU A 124 118.525 5.094 -10.655 1.00 0.00 O ATOM 1997 CB LEU A 124 115.045 4.595 -10.018 1.00 0.00 C ATOM 1998 CG LEU A 124 114.324 3.670 -9.045 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.735 4.009 -7.611 1.00 0.00 C ATOM 2000 CD2 LEU A 124 112.821 3.863 -9.204 1.00 0.00 C ATOM 0 H LEU A 124 117.230 4.032 -8.383 1.00 0.00 H new ATOM 0 HA LEU A 124 116.312 3.255 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.159 5.586 -9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.456 4.716 -10.927 1.00 0.00 H new ATOM 0 HG LEU A 124 114.589 2.634 -9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 124 114.218 3.346 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 124 115.812 3.880 -7.501 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.469 5.043 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.295 3.206 -8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.562 4.900 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 124 112.529 3.622 -10.226 1.00 0.00 H new