USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 928 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 79 ASN : amide:sc= 0.179 X(o=0.41,f=0.84) USER MOD Set 1.2: A 82 THR OG1 : rot -170:sc= 0.235 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0514 (180deg=-0.304) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0361 X(o=-0.036,f=-0.044) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc=0.000751 K(o=0.00075,f=-0.55) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=-0.047) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0655 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -103:sc= -2.3! (180deg=-3.41!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 30 SER OG : rot -30:sc= 0.968 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -138:sc= 0.276 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.018 (180deg=-0.143) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc=-0.00279 (180deg=-0.115) USER MOD Single : A 53 MET CE :methyl -135:sc=-0.00118 (180deg=-1.88!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 61 TYR OH : rot 36:sc= -0.997 USER MOD Single : A 63 SER OG : rot 72:sc= 0.0193 USER MOD Single : A 66 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.33) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 93:sc= 0.403 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 40:sc= -0.734 USER MOD Single : A 88 LYS NZ :NH3+ -130:sc= -0.25 (180deg=-2.63!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 92 SER OG : rot -81:sc= -0.0114 USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -0.0123 (180deg=-0.155) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.5) USER MOD Single : A 99 GLN : amide:sc= 0.0494 K(o=0.049,f=-0.5) USER MOD Single : A 102 SER OG : rot 61:sc= -0.171 USER MOD Single : A 104 ASN : amide:sc= -0.0911 K(o=-0.091,f=-0.59) USER MOD Single : A 105 LYS NZ :NH3+ 139:sc= -0.374 (180deg=-1.99!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.800 -25.373 -3.201 1.00 51.44 N ATOM 2 CA MET A 1 24.638 -24.624 -2.641 1.00 73.55 C ATOM 3 C MET A 1 23.758 -24.045 -3.775 1.00 64.34 C ATOM 4 O MET A 1 24.284 -23.498 -4.753 1.00 2.23 O ATOM 5 CB MET A 1 25.131 -23.491 -1.699 1.00 43.43 C ATOM 6 CG MET A 1 24.013 -22.685 -1.015 1.00 53.53 C ATOM 7 SD MET A 1 24.627 -21.410 0.115 1.00 35.04 S ATOM 8 CE MET A 1 25.551 -20.336 -0.988 1.00 3.21 C ATOM 0 H1 MET A 1 26.376 -25.752 -2.423 1.00 51.44 H new ATOM 0 H2 MET A 1 25.456 -26.157 -3.791 1.00 51.44 H new ATOM 0 H3 MET A 1 26.379 -24.732 -3.780 1.00 51.44 H new ATOM 0 HA MET A 1 24.029 -25.318 -2.062 1.00 73.55 H new ATOM 0 HB2 MET A 1 25.766 -23.929 -0.929 1.00 43.43 H new ATOM 0 HB3 MET A 1 25.754 -22.805 -2.274 1.00 43.43 H new ATOM 0 HG2 MET A 1 23.396 -22.214 -1.780 1.00 53.53 H new ATOM 0 HG3 MET A 1 23.369 -23.369 -0.462 1.00 53.53 H new ATOM 0 HE1 MET A 1 25.768 -19.395 -0.482 1.00 3.21 H new ATOM 0 HE2 MET A 1 26.486 -20.821 -1.269 1.00 3.21 H new ATOM 0 HE3 MET A 1 24.961 -20.139 -1.883 1.00 3.21 H new ATOM 20 N GLY A 2 22.423 -24.185 -3.637 1.00 44.31 N ATOM 21 CA GLY A 2 21.461 -23.645 -4.615 1.00 65.10 C ATOM 22 C GLY A 2 20.380 -24.655 -4.997 1.00 32.24 C ATOM 23 O GLY A 2 20.384 -25.203 -6.109 1.00 45.04 O ATOM 0 H GLY A 2 21.987 -24.670 -2.853 1.00 44.31 H new ATOM 0 HA2 GLY A 2 20.990 -22.754 -4.201 1.00 65.10 H new ATOM 0 HA3 GLY A 2 21.996 -23.335 -5.512 1.00 65.10 H new ATOM 27 N HIS A 3 19.447 -24.915 -4.060 1.00 40.10 N ATOM 28 CA HIS A 3 18.318 -25.850 -4.285 1.00 3.03 C ATOM 29 C HIS A 3 16.995 -25.097 -4.568 1.00 72.11 C ATOM 30 O HIS A 3 16.862 -23.907 -4.274 1.00 24.12 O ATOM 31 CB HIS A 3 18.160 -26.813 -3.076 1.00 43.54 C ATOM 32 CG HIS A 3 18.002 -26.147 -1.722 1.00 41.25 C ATOM 33 ND1 HIS A 3 18.948 -26.246 -0.720 1.00 12.02 N ATOM 34 CD2 HIS A 3 16.991 -25.406 -1.193 1.00 34.04 C ATOM 35 CE1 HIS A 3 18.528 -25.600 0.350 1.00 22.34 C ATOM 36 NE2 HIS A 3 17.350 -25.082 0.091 1.00 73.11 N ATOM 0 H HIS A 3 19.451 -24.489 -3.133 1.00 40.10 H new ATOM 0 HA HIS A 3 18.549 -26.440 -5.172 1.00 3.03 H new ATOM 0 HB2 HIS A 3 17.292 -27.448 -3.252 1.00 43.54 H new ATOM 0 HB3 HIS A 3 19.031 -27.467 -3.039 1.00 43.54 H new ATOM 0 HD2 HIS A 3 16.075 -25.125 -1.692 1.00 34.04 H new ATOM 0 HE1 HIS A 3 19.064 -25.512 1.284 1.00 22.34 H new ATOM 0 HE2 HIS A 3 16.791 -24.528 0.740 1.00 73.11 H new ATOM 45 N HIS A 4 16.017 -25.832 -5.115 1.00 13.32 N ATOM 46 CA HIS A 4 14.662 -25.316 -5.418 1.00 0.23 C ATOM 47 C HIS A 4 13.600 -26.394 -5.120 1.00 64.14 C ATOM 48 O HIS A 4 13.933 -27.572 -4.941 1.00 0.14 O ATOM 49 CB HIS A 4 14.573 -24.853 -6.901 1.00 33.40 C ATOM 50 CG HIS A 4 14.969 -25.907 -7.903 1.00 43.33 C ATOM 51 ND1 HIS A 4 16.284 -26.192 -8.194 1.00 11.21 N ATOM 52 CD2 HIS A 4 14.231 -26.753 -8.667 1.00 25.23 C ATOM 53 CE1 HIS A 4 16.343 -27.160 -9.081 1.00 31.31 C ATOM 54 NE2 HIS A 4 15.116 -27.520 -9.387 1.00 55.43 N ATOM 0 H HIS A 4 16.139 -26.813 -5.365 1.00 13.32 H new ATOM 0 HA HIS A 4 14.468 -24.454 -4.780 1.00 0.23 H new ATOM 0 HB2 HIS A 4 13.552 -24.535 -7.110 1.00 33.40 H new ATOM 0 HB3 HIS A 4 15.212 -23.981 -7.036 1.00 33.40 H new ATOM 0 HD2 HIS A 4 13.153 -26.812 -8.702 1.00 25.23 H new ATOM 0 HE1 HIS A 4 17.247 -27.588 -9.490 1.00 31.31 H new ATOM 0 HE2 HIS A 4 14.862 -28.251 -10.052 1.00 55.43 H new ATOM 63 N HIS A 5 12.328 -25.975 -5.065 1.00 1.14 N ATOM 64 CA HIS A 5 11.180 -26.890 -4.880 1.00 64.10 C ATOM 65 C HIS A 5 10.738 -27.498 -6.233 1.00 42.34 C ATOM 66 O HIS A 5 10.948 -26.897 -7.296 1.00 3.21 O ATOM 67 CB HIS A 5 10.000 -26.137 -4.213 1.00 62.34 C ATOM 68 CG HIS A 5 10.314 -25.626 -2.832 1.00 10.44 C ATOM 69 ND1 HIS A 5 10.696 -24.326 -2.576 1.00 44.34 N ATOM 70 CD2 HIS A 5 10.315 -26.256 -1.629 1.00 21.53 C ATOM 71 CE1 HIS A 5 10.923 -24.178 -1.289 1.00 73.32 C ATOM 72 NE2 HIS A 5 10.699 -25.330 -0.692 1.00 61.20 N ATOM 0 H HIS A 5 12.060 -24.994 -5.147 1.00 1.14 H new ATOM 0 HA HIS A 5 11.491 -27.706 -4.227 1.00 64.10 H new ATOM 0 HB2 HIS A 5 9.712 -25.297 -4.845 1.00 62.34 H new ATOM 0 HB3 HIS A 5 9.139 -26.804 -4.158 1.00 62.34 H new ATOM 0 HD2 HIS A 5 10.062 -27.290 -1.445 1.00 21.53 H new ATOM 0 HE1 HIS A 5 11.239 -23.266 -0.804 1.00 73.32 H new ATOM 0 HE2 HIS A 5 10.796 -25.506 0.308 1.00 61.20 H new ATOM 81 N HIS A 6 10.132 -28.699 -6.179 1.00 41.51 N ATOM 82 CA HIS A 6 9.585 -29.377 -7.373 1.00 62.41 C ATOM 83 C HIS A 6 8.245 -28.710 -7.794 1.00 33.51 C ATOM 84 O HIS A 6 7.150 -29.168 -7.426 1.00 62.13 O ATOM 85 CB HIS A 6 9.404 -30.899 -7.102 1.00 73.24 C ATOM 86 CG HIS A 6 8.929 -31.678 -8.304 1.00 45.13 C ATOM 87 ND1 HIS A 6 7.598 -31.774 -8.658 1.00 53.04 N ATOM 88 CD2 HIS A 6 9.613 -32.363 -9.255 1.00 33.13 C ATOM 89 CE1 HIS A 6 7.482 -32.468 -9.766 1.00 0.33 C ATOM 90 NE2 HIS A 6 8.686 -32.837 -10.151 1.00 65.34 N ATOM 0 H HIS A 6 10.007 -29.225 -5.314 1.00 41.51 H new ATOM 0 HA HIS A 6 10.290 -29.272 -8.198 1.00 62.41 H new ATOM 0 HB2 HIS A 6 10.353 -31.314 -6.763 1.00 73.24 H new ATOM 0 HB3 HIS A 6 8.690 -31.032 -6.289 1.00 73.24 H new ATOM 0 HD1 HIS A 6 6.821 -31.367 -8.137 1.00 53.04 H new ATOM 0 HD2 HIS A 6 10.682 -32.508 -9.299 1.00 33.13 H new ATOM 0 HE1 HIS A 6 6.557 -32.697 -10.275 1.00 0.33 H new ATOM 99 N HIS A 7 8.355 -27.600 -8.544 1.00 24.51 N ATOM 100 CA HIS A 7 7.199 -26.792 -8.974 1.00 71.33 C ATOM 101 C HIS A 7 6.770 -27.172 -10.416 1.00 72.23 C ATOM 102 O HIS A 7 6.996 -26.426 -11.379 1.00 52.21 O ATOM 103 CB HIS A 7 7.541 -25.282 -8.837 1.00 72.43 C ATOM 104 CG HIS A 7 6.350 -24.368 -8.938 1.00 62.12 C ATOM 105 ND1 HIS A 7 5.429 -24.235 -7.924 1.00 14.15 N ATOM 106 CD2 HIS A 7 5.924 -23.551 -9.933 1.00 30.04 C ATOM 107 CE1 HIS A 7 4.494 -23.386 -8.283 1.00 34.40 C ATOM 108 NE2 HIS A 7 4.768 -22.957 -9.497 1.00 31.14 N ATOM 0 H HIS A 7 9.250 -27.236 -8.870 1.00 24.51 H new ATOM 0 HA HIS A 7 6.345 -27.002 -8.329 1.00 71.33 H new ATOM 0 HB2 HIS A 7 8.031 -25.118 -7.877 1.00 72.43 H new ATOM 0 HB3 HIS A 7 8.259 -25.012 -9.611 1.00 72.43 H new ATOM 0 HD2 HIS A 7 6.404 -23.397 -10.888 1.00 30.04 H new ATOM 0 HE1 HIS A 7 3.645 -23.090 -7.685 1.00 34.40 H new ATOM 0 HE2 HIS A 7 4.209 -22.289 -10.028 1.00 31.14 H new ATOM 117 N HIS A 8 6.176 -28.374 -10.535 1.00 13.21 N ATOM 118 CA HIS A 8 5.672 -28.925 -11.822 1.00 73.01 C ATOM 119 C HIS A 8 4.665 -30.091 -11.570 1.00 73.24 C ATOM 120 O HIS A 8 4.267 -30.806 -12.497 1.00 61.04 O ATOM 121 CB HIS A 8 6.877 -29.400 -12.693 1.00 42.44 C ATOM 122 CG HIS A 8 6.551 -29.698 -14.135 1.00 43.32 C ATOM 123 ND1 HIS A 8 6.762 -30.928 -14.723 1.00 4.24 N ATOM 124 CD2 HIS A 8 6.058 -28.900 -15.117 1.00 43.24 C ATOM 125 CE1 HIS A 8 6.411 -30.877 -15.991 1.00 14.23 C ATOM 126 NE2 HIS A 8 5.983 -29.661 -16.257 1.00 3.13 N ATOM 0 H HIS A 8 6.028 -28.998 -9.742 1.00 13.21 H new ATOM 0 HA HIS A 8 5.137 -28.143 -12.360 1.00 73.01 H new ATOM 0 HB2 HIS A 8 7.650 -28.633 -12.663 1.00 42.44 H new ATOM 0 HB3 HIS A 8 7.300 -30.297 -12.240 1.00 42.44 H new ATOM 0 HD2 HIS A 8 5.778 -27.862 -15.019 1.00 43.24 H new ATOM 0 HE1 HIS A 8 6.465 -31.695 -16.694 1.00 14.23 H new ATOM 0 HE2 HIS A 8 5.649 -29.336 -17.164 1.00 3.13 H new ATOM 135 N SER A 9 4.231 -30.247 -10.303 1.00 12.44 N ATOM 136 CA SER A 9 3.351 -31.361 -9.873 1.00 33.41 C ATOM 137 C SER A 9 1.856 -31.001 -10.038 1.00 15.43 C ATOM 138 O SER A 9 1.505 -29.849 -10.316 1.00 3.33 O ATOM 139 CB SER A 9 3.660 -31.725 -8.400 1.00 72.51 C ATOM 140 OG SER A 9 2.966 -32.896 -7.996 1.00 61.42 O ATOM 0 H SER A 9 4.478 -29.608 -9.548 1.00 12.44 H new ATOM 0 HA SER A 9 3.551 -32.222 -10.511 1.00 33.41 H new ATOM 0 HB2 SER A 9 4.733 -31.877 -8.279 1.00 72.51 H new ATOM 0 HB3 SER A 9 3.381 -30.894 -7.753 1.00 72.51 H new ATOM 0 HG SER A 9 3.184 -33.100 -7.062 1.00 61.42 H new ATOM 146 N HIS A 10 0.978 -32.000 -9.861 1.00 44.41 N ATOM 147 CA HIS A 10 -0.482 -31.811 -9.953 1.00 1.54 C ATOM 148 C HIS A 10 -1.057 -31.253 -8.627 1.00 2.32 C ATOM 149 O HIS A 10 -1.404 -32.017 -7.716 1.00 43.43 O ATOM 150 CB HIS A 10 -1.167 -33.148 -10.334 1.00 74.33 C ATOM 151 CG HIS A 10 -0.754 -33.677 -11.681 1.00 54.15 C ATOM 152 ND1 HIS A 10 0.119 -34.733 -11.849 1.00 63.33 N ATOM 153 CD2 HIS A 10 -1.108 -33.290 -12.929 1.00 53.13 C ATOM 154 CE1 HIS A 10 0.285 -34.969 -13.134 1.00 74.32 C ATOM 155 NE2 HIS A 10 -0.451 -34.110 -13.811 1.00 73.31 N ATOM 0 H HIS A 10 1.256 -32.959 -9.651 1.00 44.41 H new ATOM 0 HA HIS A 10 -0.687 -31.079 -10.734 1.00 1.54 H new ATOM 0 HB2 HIS A 10 -0.935 -33.894 -9.574 1.00 74.33 H new ATOM 0 HB3 HIS A 10 -2.248 -33.008 -10.324 1.00 74.33 H new ATOM 0 HD2 HIS A 10 -1.782 -32.485 -13.183 1.00 53.13 H new ATOM 0 HE1 HIS A 10 0.916 -35.735 -13.560 1.00 74.32 H new ATOM 0 HE2 HIS A 10 -0.521 -34.063 -14.828 1.00 73.31 H new ATOM 164 N MET A 11 -1.126 -29.909 -8.514 1.00 33.02 N ATOM 165 CA MET A 11 -1.742 -29.240 -7.347 1.00 51.34 C ATOM 166 C MET A 11 -2.460 -27.930 -7.757 1.00 20.40 C ATOM 167 O MET A 11 -1.943 -26.818 -7.581 1.00 63.05 O ATOM 168 CB MET A 11 -0.695 -29.005 -6.217 1.00 52.21 C ATOM 169 CG MET A 11 -1.296 -28.550 -4.877 1.00 23.03 C ATOM 170 SD MET A 11 -0.062 -28.407 -3.561 1.00 52.13 S ATOM 171 CE MET A 11 -1.097 -28.000 -2.147 1.00 52.23 C ATOM 0 H MET A 11 -0.763 -29.265 -9.217 1.00 33.02 H new ATOM 0 HA MET A 11 -2.506 -29.906 -6.945 1.00 51.34 H new ATOM 0 HB2 MET A 11 -0.139 -29.928 -6.057 1.00 52.21 H new ATOM 0 HB3 MET A 11 0.022 -28.255 -6.553 1.00 52.21 H new ATOM 0 HG2 MET A 11 -1.787 -27.586 -5.014 1.00 23.03 H new ATOM 0 HG3 MET A 11 -2.065 -29.259 -4.571 1.00 23.03 H new ATOM 0 HE1 MET A 11 -0.473 -27.882 -1.261 1.00 52.23 H new ATOM 0 HE2 MET A 11 -1.630 -27.070 -2.342 1.00 52.23 H new ATOM 0 HE3 MET A 11 -1.816 -28.802 -1.980 1.00 52.23 H new ATOM 181 N ILE A 12 -3.634 -28.092 -8.387 1.00 5.55 N ATOM 182 CA ILE A 12 -4.613 -27.003 -8.580 1.00 22.45 C ATOM 183 C ILE A 12 -5.722 -27.179 -7.509 1.00 41.31 C ATOM 184 O ILE A 12 -6.810 -27.700 -7.778 1.00 15.24 O ATOM 185 CB ILE A 12 -5.205 -27.004 -10.049 1.00 3.24 C ATOM 186 CG1 ILE A 12 -4.049 -27.007 -11.106 1.00 32.30 C ATOM 187 CG2 ILE A 12 -6.163 -25.799 -10.274 1.00 35.31 C ATOM 188 CD1 ILE A 12 -4.499 -27.125 -12.560 1.00 24.11 C ATOM 0 H ILE A 12 -3.935 -28.984 -8.779 1.00 5.55 H new ATOM 0 HA ILE A 12 -4.129 -26.034 -8.459 1.00 22.45 H new ATOM 0 HB ILE A 12 -5.789 -27.915 -10.176 1.00 3.24 H new ATOM 0 HG12 ILE A 12 -3.473 -26.088 -10.994 1.00 32.30 H new ATOM 0 HG13 ILE A 12 -3.376 -27.834 -10.882 1.00 32.30 H new ATOM 0 HG21 ILE A 12 -6.552 -25.829 -11.292 1.00 35.31 H new ATOM 0 HG22 ILE A 12 -6.991 -25.855 -9.567 1.00 35.31 H new ATOM 0 HG23 ILE A 12 -5.618 -24.867 -10.121 1.00 35.31 H new ATOM 0 HD11 ILE A 12 -3.626 -27.118 -13.213 1.00 24.11 H new ATOM 0 HD12 ILE A 12 -5.047 -28.057 -12.697 1.00 24.11 H new ATOM 0 HD13 ILE A 12 -5.146 -26.284 -12.810 1.00 24.11 H new ATOM 200 N LYS A 13 -5.384 -26.806 -6.265 1.00 63.41 N ATOM 201 CA LYS A 13 -6.208 -27.108 -5.068 1.00 65.14 C ATOM 202 C LYS A 13 -6.880 -25.844 -4.481 1.00 24.21 C ATOM 203 O LYS A 13 -7.977 -25.923 -3.906 1.00 21.25 O ATOM 204 CB LYS A 13 -5.309 -27.811 -4.007 1.00 63.30 C ATOM 205 CG LYS A 13 -6.022 -28.232 -2.698 1.00 45.21 C ATOM 206 CD LYS A 13 -7.197 -29.212 -2.932 1.00 22.20 C ATOM 207 CE LYS A 13 -7.977 -29.535 -1.644 1.00 34.21 C ATOM 208 NZ LYS A 13 -9.108 -30.465 -1.903 1.00 2.50 N ATOM 0 H LYS A 13 -4.533 -26.286 -6.053 1.00 63.41 H new ATOM 0 HA LYS A 13 -7.021 -27.771 -5.364 1.00 65.14 H new ATOM 0 HB2 LYS A 13 -4.868 -28.699 -4.461 1.00 63.30 H new ATOM 0 HB3 LYS A 13 -4.487 -27.142 -3.753 1.00 63.30 H new ATOM 0 HG2 LYS A 13 -5.297 -28.697 -2.030 1.00 45.21 H new ATOM 0 HG3 LYS A 13 -6.395 -27.341 -2.193 1.00 45.21 H new ATOM 0 HD2 LYS A 13 -7.880 -28.783 -3.666 1.00 22.20 H new ATOM 0 HD3 LYS A 13 -6.811 -30.138 -3.358 1.00 22.20 H new ATOM 0 HE2 LYS A 13 -7.302 -29.978 -0.912 1.00 34.21 H new ATOM 0 HE3 LYS A 13 -8.358 -28.611 -1.208 1.00 34.21 H new ATOM 0 HZ1 LYS A 13 -9.609 -30.659 -1.012 1.00 2.50 H new ATOM 0 HZ2 LYS A 13 -9.765 -30.032 -2.583 1.00 2.50 H new ATOM 0 HZ3 LYS A 13 -8.742 -31.356 -2.295 1.00 2.50 H new ATOM 222 N ARG A 14 -6.228 -24.680 -4.636 1.00 63.44 N ATOM 223 CA ARG A 14 -6.710 -23.412 -4.040 1.00 33.22 C ATOM 224 C ARG A 14 -8.024 -22.913 -4.692 1.00 64.14 C ATOM 225 O ARG A 14 -8.041 -22.486 -5.847 1.00 33.14 O ATOM 226 CB ARG A 14 -5.618 -22.306 -4.099 1.00 72.43 C ATOM 227 CG ARG A 14 -6.075 -20.933 -3.532 1.00 54.43 C ATOM 228 CD ARG A 14 -4.913 -19.953 -3.289 1.00 51.51 C ATOM 229 NE ARG A 14 -5.368 -18.631 -2.810 1.00 32.42 N ATOM 230 CZ ARG A 14 -5.673 -18.316 -1.566 1.00 73.34 C ATOM 231 NH1 ARG A 14 -5.615 -19.187 -0.599 1.00 13.31 N ATOM 232 NH2 ARG A 14 -6.026 -17.103 -1.301 1.00 13.24 N ATOM 0 H ARG A 14 -5.364 -24.586 -5.169 1.00 63.44 H new ATOM 0 HA ARG A 14 -6.928 -23.627 -2.994 1.00 33.22 H new ATOM 0 HB2 ARG A 14 -4.743 -22.644 -3.543 1.00 72.43 H new ATOM 0 HB3 ARG A 14 -5.306 -22.174 -5.135 1.00 72.43 H new ATOM 0 HG2 ARG A 14 -6.783 -20.480 -4.225 1.00 54.43 H new ATOM 0 HG3 ARG A 14 -6.606 -21.095 -2.594 1.00 54.43 H new ATOM 0 HD2 ARG A 14 -4.228 -20.383 -2.558 1.00 51.51 H new ATOM 0 HD3 ARG A 14 -4.352 -19.825 -4.215 1.00 51.51 H new ATOM 0 HE ARG A 14 -5.454 -17.892 -3.508 1.00 32.42 H new ATOM 0 HH11 ARG A 14 -5.327 -20.146 -0.793 1.00 13.31 H new ATOM 0 HH12 ARG A 14 -5.858 -18.910 0.352 1.00 13.31 H new ATOM 0 HH21 ARG A 14 -6.065 -16.409 -2.047 1.00 13.24 H new ATOM 0 HH22 ARG A 14 -6.266 -16.839 -0.345 1.00 13.24 H new ATOM 246 N THR A 15 -9.123 -23.033 -3.940 1.00 33.15 N ATOM 247 CA THR A 15 -10.409 -22.352 -4.228 1.00 55.14 C ATOM 248 C THR A 15 -10.697 -21.342 -3.079 1.00 54.20 C ATOM 249 O THR A 15 -10.069 -21.425 -2.012 1.00 14.54 O ATOM 250 CB THR A 15 -11.569 -23.401 -4.367 1.00 25.43 C ATOM 251 OG1 THR A 15 -11.222 -24.380 -5.373 1.00 25.10 O ATOM 252 CG2 THR A 15 -12.937 -22.777 -4.720 1.00 13.55 C ATOM 0 H THR A 15 -9.154 -23.612 -3.101 1.00 33.15 H new ATOM 0 HA THR A 15 -10.345 -21.815 -5.175 1.00 55.14 H new ATOM 0 HB THR A 15 -11.678 -23.864 -3.387 1.00 25.43 H new ATOM 0 HG1 THR A 15 -11.947 -25.034 -5.456 1.00 25.10 H new ATOM 0 HG21 THR A 15 -13.687 -23.564 -4.799 1.00 13.55 H new ATOM 0 HG22 THR A 15 -13.229 -22.075 -3.939 1.00 13.55 H new ATOM 0 HG23 THR A 15 -12.862 -22.251 -5.672 1.00 13.55 H new ATOM 260 N ASN A 16 -11.611 -20.375 -3.316 1.00 63.23 N ATOM 261 CA ASN A 16 -11.992 -19.317 -2.336 1.00 3.42 C ATOM 262 C ASN A 16 -10.874 -18.252 -2.161 1.00 13.32 C ATOM 263 O ASN A 16 -9.708 -18.474 -2.529 1.00 73.22 O ATOM 264 CB ASN A 16 -12.452 -19.897 -0.962 1.00 60.22 C ATOM 265 CG ASN A 16 -13.705 -20.764 -1.077 1.00 10.54 C ATOM 266 OD1 ASN A 16 -14.823 -20.268 -1.009 1.00 12.34 O ATOM 267 ND2 ASN A 16 -13.531 -22.063 -1.245 1.00 31.40 N ATOM 0 H ASN A 16 -12.114 -20.301 -4.200 1.00 63.23 H new ATOM 0 HA ASN A 16 -12.859 -18.813 -2.764 1.00 3.42 H new ATOM 0 HB2 ASN A 16 -11.644 -20.489 -0.533 1.00 60.22 H new ATOM 0 HB3 ASN A 16 -12.646 -19.076 -0.272 1.00 60.22 H new ATOM 0 HD21 ASN A 16 -14.339 -22.680 -1.322 1.00 31.40 H new ATOM 0 HD22 ASN A 16 -12.588 -22.449 -1.298 1.00 31.40 H new ATOM 274 N GLU A 17 -11.262 -17.103 -1.559 1.00 4.41 N ATOM 275 CA GLU A 17 -10.504 -15.831 -1.648 1.00 13.52 C ATOM 276 C GLU A 17 -10.190 -15.514 -3.144 1.00 1.01 C ATOM 277 O GLU A 17 -9.019 -15.523 -3.558 1.00 65.44 O ATOM 278 CB GLU A 17 -9.219 -15.860 -0.755 1.00 20.12 C ATOM 279 CG GLU A 17 -8.477 -14.496 -0.583 1.00 62.31 C ATOM 280 CD GLU A 17 -9.251 -13.422 0.221 1.00 51.54 C ATOM 281 OE1 GLU A 17 -10.046 -13.781 1.115 1.00 1.13 O ATOM 282 OE2 GLU A 17 -9.016 -12.211 0.007 1.00 61.53 O ATOM 0 H GLU A 17 -12.110 -17.031 -0.997 1.00 4.41 H new ATOM 0 HA GLU A 17 -11.119 -15.022 -1.254 1.00 13.52 H new ATOM 0 HB2 GLU A 17 -9.495 -16.229 0.233 1.00 20.12 H new ATOM 0 HB3 GLU A 17 -8.520 -16.580 -1.180 1.00 20.12 H new ATOM 0 HG2 GLU A 17 -7.523 -14.679 -0.089 1.00 62.31 H new ATOM 0 HG3 GLU A 17 -8.252 -14.095 -1.572 1.00 62.31 H new ATOM 289 N PRO A 18 -11.259 -15.297 -4.008 1.00 33.35 N ATOM 290 CA PRO A 18 -11.075 -14.977 -5.446 1.00 52.54 C ATOM 291 C PRO A 18 -10.301 -13.663 -5.638 1.00 31.41 C ATOM 292 O PRO A 18 -10.495 -12.745 -4.865 1.00 24.40 O ATOM 293 CB PRO A 18 -12.530 -14.855 -5.993 1.00 64.14 C ATOM 294 CG PRO A 18 -13.369 -15.591 -4.996 1.00 31.23 C ATOM 295 CD PRO A 18 -12.709 -15.336 -3.659 1.00 73.45 C ATOM 0 HA PRO A 18 -10.490 -15.735 -5.967 1.00 52.54 H new ATOM 0 HB2 PRO A 18 -12.836 -13.812 -6.077 1.00 64.14 H new ATOM 0 HB3 PRO A 18 -12.618 -15.294 -6.987 1.00 64.14 H new ATOM 0 HG2 PRO A 18 -14.397 -15.230 -5.003 1.00 31.23 H new ATOM 0 HG3 PRO A 18 -13.404 -16.657 -5.221 1.00 31.23 H new ATOM 0 HD2 PRO A 18 -13.044 -14.398 -3.215 1.00 73.45 H new ATOM 0 HD3 PRO A 18 -12.931 -16.126 -2.941 1.00 73.45 H new ATOM 303 N LEU A 19 -9.445 -13.582 -6.668 1.00 63.23 N ATOM 304 CA LEU A 19 -8.611 -12.379 -6.942 1.00 0.44 C ATOM 305 C LEU A 19 -9.466 -11.107 -7.135 1.00 63.30 C ATOM 306 O LEU A 19 -9.042 -10.017 -6.776 1.00 12.44 O ATOM 307 CB LEU A 19 -7.678 -12.646 -8.164 1.00 24.35 C ATOM 308 CG LEU A 19 -6.262 -13.218 -7.825 1.00 61.23 C ATOM 309 CD1 LEU A 19 -5.380 -12.136 -7.173 1.00 3.14 C ATOM 310 CD2 LEU A 19 -6.350 -14.474 -6.921 1.00 71.52 C ATOM 0 H LEU A 19 -9.304 -14.339 -7.337 1.00 63.23 H new ATOM 0 HA LEU A 19 -7.988 -12.191 -6.067 1.00 0.44 H new ATOM 0 HB2 LEU A 19 -8.180 -13.343 -8.835 1.00 24.35 H new ATOM 0 HB3 LEU A 19 -7.551 -11.712 -8.711 1.00 24.35 H new ATOM 0 HG LEU A 19 -5.799 -13.524 -8.763 1.00 61.23 H new ATOM 0 HD11 LEU A 19 -4.400 -12.554 -6.945 1.00 3.14 H new ATOM 0 HD12 LEU A 19 -5.266 -11.297 -7.860 1.00 3.14 H new ATOM 0 HD13 LEU A 19 -5.850 -11.790 -6.252 1.00 3.14 H new ATOM 0 HD21 LEU A 19 -5.346 -14.841 -6.709 1.00 71.52 H new ATOM 0 HD22 LEU A 19 -6.847 -14.215 -5.986 1.00 71.52 H new ATOM 0 HD23 LEU A 19 -6.919 -15.251 -7.432 1.00 71.52 H new ATOM 322 N ASP A 20 -10.670 -11.288 -7.683 1.00 1.21 N ATOM 323 CA ASP A 20 -11.684 -10.215 -7.813 1.00 0.14 C ATOM 324 C ASP A 20 -12.052 -9.632 -6.416 1.00 11.20 C ATOM 325 O ASP A 20 -12.027 -8.414 -6.197 1.00 24.32 O ATOM 326 CB ASP A 20 -12.951 -10.794 -8.499 1.00 74.12 C ATOM 327 CG ASP A 20 -12.621 -11.583 -9.782 1.00 24.44 C ATOM 328 OD1 ASP A 20 -12.342 -12.799 -9.681 1.00 1.54 O ATOM 329 OD2 ASP A 20 -12.613 -10.990 -10.881 1.00 12.13 O ATOM 0 H ASP A 20 -10.980 -12.186 -8.054 1.00 1.21 H new ATOM 0 HA ASP A 20 -11.273 -9.408 -8.419 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.473 -11.447 -7.799 1.00 74.12 H new ATOM 0 HB3 ASP A 20 -13.632 -9.979 -8.743 1.00 74.12 H new ATOM 334 N LYS A 21 -12.361 -10.547 -5.478 1.00 30.14 N ATOM 335 CA LYS A 21 -12.739 -10.217 -4.084 1.00 72.42 C ATOM 336 C LYS A 21 -11.519 -9.849 -3.201 1.00 35.21 C ATOM 337 O LYS A 21 -11.667 -9.111 -2.224 1.00 44.33 O ATOM 338 CB LYS A 21 -13.521 -11.397 -3.460 1.00 55.20 C ATOM 339 CG LYS A 21 -14.917 -11.610 -4.082 1.00 1.25 C ATOM 340 CD LYS A 21 -15.698 -12.777 -3.440 1.00 33.14 C ATOM 341 CE LYS A 21 -15.885 -12.624 -1.915 1.00 63.43 C ATOM 342 NZ LYS A 21 -16.604 -11.375 -1.540 1.00 10.34 N ATOM 0 H LYS A 21 -12.356 -11.550 -5.666 1.00 30.14 H new ATOM 0 HA LYS A 21 -13.374 -9.332 -4.122 1.00 72.42 H new ATOM 0 HB2 LYS A 21 -12.938 -12.310 -3.576 1.00 55.20 H new ATOM 0 HB3 LYS A 21 -13.632 -11.223 -2.390 1.00 55.20 H new ATOM 0 HG2 LYS A 21 -15.497 -10.693 -3.979 1.00 1.25 H new ATOM 0 HG3 LYS A 21 -14.807 -11.799 -5.150 1.00 1.25 H new ATOM 0 HD2 LYS A 21 -16.677 -12.853 -3.913 1.00 33.14 H new ATOM 0 HD3 LYS A 21 -15.173 -13.711 -3.642 1.00 33.14 H new ATOM 0 HE2 LYS A 21 -16.437 -13.483 -1.534 1.00 63.43 H new ATOM 0 HE3 LYS A 21 -14.908 -12.633 -1.432 1.00 63.43 H new ATOM 0 HZ1 LYS A 21 -16.700 -11.327 -0.506 1.00 10.34 H new ATOM 0 HZ2 LYS A 21 -16.067 -10.551 -1.877 1.00 10.34 H new ATOM 0 HZ3 LYS A 21 -17.548 -11.374 -1.976 1.00 10.34 H new ATOM 356 N LYS A 22 -10.325 -10.375 -3.540 1.00 24.01 N ATOM 357 CA LYS A 22 -9.083 -10.129 -2.772 1.00 43.41 C ATOM 358 C LYS A 22 -8.628 -8.689 -3.003 1.00 2.01 C ATOM 359 O LYS A 22 -8.268 -7.982 -2.067 1.00 31.33 O ATOM 360 CB LYS A 22 -7.937 -11.097 -3.181 1.00 13.12 C ATOM 361 CG LYS A 22 -6.700 -11.015 -2.246 1.00 2.15 C ATOM 362 CD LYS A 22 -5.483 -11.814 -2.758 1.00 45.13 C ATOM 363 CE LYS A 22 -4.395 -11.992 -1.676 1.00 12.45 C ATOM 364 NZ LYS A 22 -3.866 -10.697 -1.153 1.00 52.33 N ATOM 0 H LYS A 22 -10.192 -10.980 -4.350 1.00 24.01 H new ATOM 0 HA LYS A 22 -9.304 -10.303 -1.719 1.00 43.41 H new ATOM 0 HB2 LYS A 22 -8.317 -12.119 -3.181 1.00 13.12 H new ATOM 0 HB3 LYS A 22 -7.628 -10.872 -4.202 1.00 13.12 H new ATOM 0 HG2 LYS A 22 -6.414 -9.970 -2.127 1.00 2.15 H new ATOM 0 HG3 LYS A 22 -6.977 -11.384 -1.258 1.00 2.15 H new ATOM 0 HD2 LYS A 22 -5.814 -12.794 -3.101 1.00 45.13 H new ATOM 0 HD3 LYS A 22 -5.054 -11.303 -3.620 1.00 45.13 H new ATOM 0 HE2 LYS A 22 -4.806 -12.570 -0.848 1.00 12.45 H new ATOM 0 HE3 LYS A 22 -3.571 -12.572 -2.091 1.00 12.45 H new ATOM 0 HZ1 LYS A 22 -2.934 -10.507 -1.574 1.00 52.33 H new ATOM 0 HZ2 LYS A 22 -4.521 -9.929 -1.402 1.00 52.33 H new ATOM 0 HZ3 LYS A 22 -3.774 -10.752 -0.119 1.00 52.33 H new ATOM 378 N ARG A 23 -8.649 -8.282 -4.288 1.00 64.13 N ATOM 379 CA ARG A 23 -8.397 -6.891 -4.698 1.00 51.42 C ATOM 380 C ARG A 23 -9.395 -5.941 -4.020 1.00 64.52 C ATOM 381 O ARG A 23 -8.990 -4.960 -3.433 1.00 24.23 O ATOM 382 CB ARG A 23 -8.456 -6.749 -6.241 1.00 63.42 C ATOM 383 CG ARG A 23 -7.278 -7.439 -6.968 1.00 51.32 C ATOM 384 CD ARG A 23 -7.453 -7.501 -8.495 1.00 54.32 C ATOM 385 NE ARG A 23 -6.308 -8.168 -9.150 1.00 22.51 N ATOM 386 CZ ARG A 23 -6.274 -8.597 -10.391 1.00 33.44 C ATOM 387 NH1 ARG A 23 -7.302 -8.494 -11.172 1.00 42.11 N ATOM 388 NH2 ARG A 23 -5.182 -9.114 -10.847 1.00 54.32 N ATOM 0 H ARG A 23 -8.841 -8.910 -5.068 1.00 64.13 H new ATOM 0 HA ARG A 23 -7.392 -6.616 -4.376 1.00 51.42 H new ATOM 0 HB2 ARG A 23 -9.394 -7.172 -6.602 1.00 63.42 H new ATOM 0 HB3 ARG A 23 -8.463 -5.690 -6.501 1.00 63.42 H new ATOM 0 HG2 ARG A 23 -6.356 -6.906 -6.737 1.00 51.32 H new ATOM 0 HG3 ARG A 23 -7.166 -8.452 -6.581 1.00 51.32 H new ATOM 0 HD2 ARG A 23 -8.372 -8.036 -8.735 1.00 54.32 H new ATOM 0 HD3 ARG A 23 -7.560 -6.491 -8.890 1.00 54.32 H new ATOM 0 HE ARG A 23 -5.469 -8.308 -8.588 1.00 22.51 H new ATOM 0 HH11 ARG A 23 -8.164 -8.072 -10.827 1.00 42.11 H new ATOM 0 HH12 ARG A 23 -7.249 -8.835 -12.132 1.00 42.11 H new ATOM 0 HH21 ARG A 23 -4.361 -9.185 -10.246 1.00 54.32 H new ATOM 0 HH22 ARG A 23 -5.140 -9.452 -11.809 1.00 54.32 H new ATOM 402 N ALA A 24 -10.693 -6.295 -4.047 1.00 30.44 N ATOM 403 CA ALA A 24 -11.766 -5.483 -3.412 1.00 71.22 C ATOM 404 C ALA A 24 -11.518 -5.288 -1.887 1.00 53.10 C ATOM 405 O ALA A 24 -11.677 -4.188 -1.353 1.00 12.12 O ATOM 406 CB ALA A 24 -13.133 -6.145 -3.649 1.00 33.02 C ATOM 0 H ALA A 24 -11.033 -7.142 -4.503 1.00 30.44 H new ATOM 0 HA ALA A 24 -11.756 -4.496 -3.874 1.00 71.22 H new ATOM 0 HB1 ALA A 24 -13.914 -5.545 -3.181 1.00 33.02 H new ATOM 0 HB2 ALA A 24 -13.322 -6.216 -4.720 1.00 33.02 H new ATOM 0 HB3 ALA A 24 -13.134 -7.144 -3.214 1.00 33.02 H new ATOM 412 N ARG A 25 -11.122 -6.385 -1.218 1.00 31.33 N ATOM 413 CA ARG A 25 -10.835 -6.421 0.238 1.00 65.44 C ATOM 414 C ARG A 25 -9.545 -5.630 0.604 1.00 0.11 C ATOM 415 O ARG A 25 -9.499 -4.961 1.643 1.00 0.01 O ATOM 416 CB ARG A 25 -10.765 -7.921 0.687 1.00 74.25 C ATOM 417 CG ARG A 25 -10.501 -8.200 2.198 1.00 2.51 C ATOM 418 CD ARG A 25 -9.005 -8.382 2.543 1.00 1.12 C ATOM 419 NE ARG A 25 -8.393 -9.514 1.815 1.00 53.32 N ATOM 420 CZ ARG A 25 -7.164 -9.952 1.991 1.00 73.51 C ATOM 421 NH1 ARG A 25 -6.397 -9.460 2.913 1.00 22.02 N ATOM 422 NH2 ARG A 25 -6.721 -10.928 1.273 1.00 62.24 N ATOM 0 H ARG A 25 -10.989 -7.287 -1.674 1.00 31.33 H new ATOM 0 HA ARG A 25 -11.637 -5.920 0.780 1.00 65.44 H new ATOM 0 HB2 ARG A 25 -11.706 -8.400 0.414 1.00 74.25 H new ATOM 0 HB3 ARG A 25 -9.980 -8.410 0.111 1.00 74.25 H new ATOM 0 HG2 ARG A 25 -10.903 -7.375 2.787 1.00 2.51 H new ATOM 0 HG3 ARG A 25 -11.045 -9.097 2.493 1.00 2.51 H new ATOM 0 HD2 ARG A 25 -8.466 -7.465 2.304 1.00 1.12 H new ATOM 0 HD3 ARG A 25 -8.899 -8.544 3.616 1.00 1.12 H new ATOM 0 HE ARG A 25 -8.968 -9.993 1.122 1.00 53.32 H new ATOM 0 HH11 ARG A 25 -6.742 -8.717 3.521 1.00 22.02 H new ATOM 0 HH12 ARG A 25 -5.448 -9.816 3.030 1.00 22.02 H new ATOM 0 HH21 ARG A 25 -7.323 -11.359 0.571 1.00 62.24 H new ATOM 0 HH22 ARG A 25 -5.769 -11.269 1.408 1.00 62.24 H new ATOM 436 N LEU A 26 -8.500 -5.712 -0.248 1.00 21.12 N ATOM 437 CA LEU A 26 -7.223 -4.987 -0.015 1.00 50.03 C ATOM 438 C LEU A 26 -7.392 -3.457 -0.266 1.00 11.02 C ATOM 439 O LEU A 26 -6.916 -2.639 0.523 1.00 15.24 O ATOM 440 CB LEU A 26 -6.073 -5.551 -0.896 1.00 34.05 C ATOM 441 CG LEU A 26 -5.601 -7.027 -0.645 1.00 44.24 C ATOM 442 CD1 LEU A 26 -4.456 -7.416 -1.607 1.00 52.24 C ATOM 443 CD2 LEU A 26 -5.184 -7.226 0.823 1.00 1.40 C ATOM 0 H LEU A 26 -8.511 -6.270 -1.102 1.00 21.12 H new ATOM 0 HA LEU A 26 -6.954 -5.141 1.030 1.00 50.03 H new ATOM 0 HB2 LEU A 26 -6.383 -5.473 -1.938 1.00 34.05 H new ATOM 0 HB3 LEU A 26 -5.208 -4.899 -0.772 1.00 34.05 H new ATOM 0 HG LEU A 26 -6.443 -7.689 -0.848 1.00 44.24 H new ATOM 0 HD11 LEU A 26 -4.149 -8.443 -1.411 1.00 52.24 H new ATOM 0 HD12 LEU A 26 -4.802 -7.331 -2.637 1.00 52.24 H new ATOM 0 HD13 LEU A 26 -3.608 -6.748 -1.453 1.00 52.24 H new ATOM 0 HD21 LEU A 26 -4.861 -8.256 0.973 1.00 1.40 H new ATOM 0 HD22 LEU A 26 -4.364 -6.550 1.063 1.00 1.40 H new ATOM 0 HD23 LEU A 26 -6.032 -7.013 1.474 1.00 1.40 H new ATOM 455 N ILE A 27 -8.070 -3.096 -1.379 1.00 4.25 N ATOM 456 CA ILE A 27 -8.449 -1.688 -1.695 1.00 74.22 C ATOM 457 C ILE A 27 -9.407 -1.106 -0.609 1.00 5.21 C ATOM 458 O ILE A 27 -9.385 0.092 -0.324 1.00 62.21 O ATOM 459 CB ILE A 27 -9.108 -1.568 -3.137 1.00 63.33 C ATOM 460 CG1 ILE A 27 -8.167 -2.165 -4.237 1.00 23.32 C ATOM 461 CG2 ILE A 27 -9.465 -0.096 -3.481 1.00 33.12 C ATOM 462 CD1 ILE A 27 -8.765 -2.266 -5.635 1.00 42.33 C ATOM 0 H ILE A 27 -8.372 -3.766 -2.086 1.00 4.25 H new ATOM 0 HA ILE A 27 -7.531 -1.101 -1.696 1.00 74.22 H new ATOM 0 HB ILE A 27 -10.032 -2.146 -3.117 1.00 63.33 H new ATOM 0 HG12 ILE A 27 -7.267 -1.553 -4.290 1.00 23.32 H new ATOM 0 HG13 ILE A 27 -7.857 -3.161 -3.922 1.00 23.32 H new ATOM 0 HG21 ILE A 27 -9.913 -0.053 -4.474 1.00 33.12 H new ATOM 0 HG22 ILE A 27 -10.173 0.288 -2.746 1.00 33.12 H new ATOM 0 HG23 ILE A 27 -8.560 0.511 -3.465 1.00 33.12 H new ATOM 0 HD11 ILE A 27 -8.028 -2.692 -6.316 1.00 42.33 H new ATOM 0 HD12 ILE A 27 -9.647 -2.906 -5.608 1.00 42.33 H new ATOM 0 HD13 ILE A 27 -9.048 -1.272 -5.982 1.00 42.33 H new ATOM 474 N TYR A 28 -10.235 -1.971 0.007 1.00 33.51 N ATOM 475 CA TYR A 28 -11.076 -1.586 1.168 1.00 43.23 C ATOM 476 C TYR A 28 -10.203 -1.188 2.385 1.00 34.23 C ATOM 477 O TYR A 28 -10.434 -0.151 3.000 1.00 34.13 O ATOM 478 CB TYR A 28 -12.054 -2.734 1.549 1.00 21.32 C ATOM 479 CG TYR A 28 -12.811 -2.525 2.876 1.00 12.24 C ATOM 480 CD1 TYR A 28 -13.621 -1.400 3.078 1.00 5.10 C ATOM 481 CD2 TYR A 28 -12.689 -3.436 3.936 1.00 32.10 C ATOM 482 CE1 TYR A 28 -14.285 -1.202 4.277 1.00 4.24 C ATOM 483 CE2 TYR A 28 -13.351 -3.237 5.133 1.00 21.41 C ATOM 484 CZ TYR A 28 -14.145 -2.119 5.303 1.00 21.51 C ATOM 485 OH TYR A 28 -14.799 -1.915 6.504 1.00 11.25 O ATOM 0 H TYR A 28 -10.343 -2.945 -0.277 1.00 33.51 H new ATOM 0 HA TYR A 28 -11.665 -0.716 0.877 1.00 43.23 H new ATOM 0 HB2 TYR A 28 -12.782 -2.853 0.747 1.00 21.32 H new ATOM 0 HB3 TYR A 28 -11.492 -3.666 1.611 1.00 21.32 H new ATOM 0 HD1 TYR A 28 -13.729 -0.675 2.285 1.00 5.10 H new ATOM 0 HD2 TYR A 28 -12.066 -4.310 3.814 1.00 32.10 H new ATOM 0 HE1 TYR A 28 -14.911 -0.333 4.411 1.00 4.24 H new ATOM 0 HE2 TYR A 28 -13.248 -3.954 5.934 1.00 21.41 H new ATOM 0 HH TYR A 28 -14.595 -2.652 7.117 1.00 11.25 H new ATOM 495 N GLN A 29 -9.205 -2.022 2.714 1.00 74.23 N ATOM 496 CA GLN A 29 -8.318 -1.804 3.888 1.00 41.34 C ATOM 497 C GLN A 29 -7.188 -0.777 3.601 1.00 12.11 C ATOM 498 O GLN A 29 -6.420 -0.412 4.503 1.00 72.44 O ATOM 499 CB GLN A 29 -7.740 -3.158 4.352 1.00 14.24 C ATOM 500 CG GLN A 29 -8.810 -4.166 4.832 1.00 41.21 C ATOM 501 CD GLN A 29 -8.246 -5.552 5.193 1.00 4.52 C ATOM 502 OE1 GLN A 29 -7.230 -6.009 4.475 1.00 2.52 O flip ATOM 503 NE2 GLN A 29 -8.748 -6.226 6.084 1.00 50.14 N flip ATOM 0 H GLN A 29 -8.983 -2.864 2.183 1.00 74.23 H new ATOM 0 HA GLN A 29 -8.919 -1.373 4.689 1.00 41.34 H new ATOM 0 HB2 GLN A 29 -7.179 -3.603 3.530 1.00 14.24 H new ATOM 0 HB3 GLN A 29 -7.032 -2.981 5.162 1.00 14.24 H new ATOM 0 HG2 GLN A 29 -9.318 -3.753 5.704 1.00 41.21 H new ATOM 0 HG3 GLN A 29 -9.561 -4.283 4.051 1.00 41.21 H new ATOM 0 HE21 GLN A 29 -9.529 -5.856 6.625 1.00 50.14 H new ATOM 0 HE22 GLN A 29 -8.385 -7.158 6.285 1.00 50.14 H new ATOM 512 N SER A 30 -7.082 -0.335 2.339 1.00 55.32 N ATOM 513 CA SER A 30 -6.243 0.826 1.963 1.00 70.55 C ATOM 514 C SER A 30 -7.039 2.130 2.143 1.00 12.02 C ATOM 515 O SER A 30 -6.466 3.198 2.373 1.00 25.11 O ATOM 516 CB SER A 30 -5.762 0.699 0.506 1.00 73.12 C ATOM 517 OG SER A 30 -6.799 0.906 -0.428 1.00 64.42 O ATOM 0 H SER A 30 -7.569 -0.764 1.552 1.00 55.32 H new ATOM 0 HA SER A 30 -5.369 0.847 2.615 1.00 70.55 H new ATOM 0 HB2 SER A 30 -4.966 1.422 0.326 1.00 73.12 H new ATOM 0 HB3 SER A 30 -5.333 -0.292 0.354 1.00 73.12 H new ATOM 0 HG SER A 30 -7.653 0.628 -0.036 1.00 64.42 H new ATOM 523 N ARG A 31 -8.375 2.024 1.990 1.00 73.44 N ATOM 524 CA ARG A 31 -9.311 3.114 2.321 1.00 35.20 C ATOM 525 C ARG A 31 -9.687 3.111 3.820 1.00 22.40 C ATOM 526 O ARG A 31 -10.141 4.130 4.353 1.00 33.13 O ATOM 527 CB ARG A 31 -10.602 2.976 1.470 1.00 74.41 C ATOM 528 CG ARG A 31 -10.395 3.095 -0.069 1.00 4.43 C ATOM 529 CD ARG A 31 -11.262 4.199 -0.700 1.00 13.30 C ATOM 530 NE ARG A 31 -10.900 5.536 -0.180 1.00 32.34 N ATOM 531 CZ ARG A 31 -11.558 6.649 -0.402 1.00 31.13 C ATOM 532 NH1 ARG A 31 -12.638 6.663 -1.121 1.00 41.30 N ATOM 533 NH2 ARG A 31 -11.135 7.750 0.123 1.00 71.21 N ATOM 0 H ARG A 31 -8.832 1.184 1.635 1.00 73.44 H new ATOM 0 HA ARG A 31 -8.811 4.057 2.097 1.00 35.20 H new ATOM 0 HB2 ARG A 31 -11.059 2.010 1.686 1.00 74.41 H new ATOM 0 HB3 ARG A 31 -11.310 3.742 1.786 1.00 74.41 H new ATOM 0 HG2 ARG A 31 -9.345 3.301 -0.276 1.00 4.43 H new ATOM 0 HG3 ARG A 31 -10.631 2.140 -0.538 1.00 4.43 H new ATOM 0 HD2 ARG A 31 -11.141 4.184 -1.783 1.00 13.30 H new ATOM 0 HD3 ARG A 31 -12.314 4.000 -0.494 1.00 13.30 H new ATOM 0 HE ARG A 31 -10.065 5.598 0.403 1.00 32.34 H new ATOM 0 HH11 ARG A 31 -12.992 5.797 -1.527 1.00 41.30 H new ATOM 0 HH12 ARG A 31 -13.133 7.540 -1.280 1.00 41.30 H new ATOM 0 HH21 ARG A 31 -10.297 7.749 0.704 1.00 71.21 H new ATOM 0 HH22 ARG A 31 -11.639 8.621 -0.043 1.00 71.21 H new ATOM 547 N LYS A 32 -9.479 1.968 4.499 1.00 22.11 N ATOM 548 CA LYS A 32 -9.737 1.845 5.939 1.00 34.05 C ATOM 549 C LYS A 32 -8.408 2.132 6.660 1.00 61.12 C ATOM 550 O LYS A 32 -7.478 1.328 6.602 1.00 24.44 O ATOM 551 CB LYS A 32 -10.276 0.412 6.272 1.00 34.42 C ATOM 552 CG LYS A 32 -11.230 0.350 7.481 1.00 3.54 C ATOM 553 CD LYS A 32 -12.583 1.040 7.178 1.00 4.51 C ATOM 554 CE LYS A 32 -13.547 1.040 8.377 1.00 55.24 C ATOM 555 NZ LYS A 32 -14.791 1.793 8.082 1.00 21.21 N ATOM 0 H LYS A 32 -9.130 1.113 4.066 1.00 22.11 H new ATOM 0 HA LYS A 32 -10.499 2.551 6.268 1.00 34.05 H new ATOM 0 HB2 LYS A 32 -10.794 0.021 5.397 1.00 34.42 H new ATOM 0 HB3 LYS A 32 -9.428 -0.246 6.461 1.00 34.42 H new ATOM 0 HG2 LYS A 32 -11.405 -0.691 7.754 1.00 3.54 H new ATOM 0 HG3 LYS A 32 -10.761 0.830 8.340 1.00 3.54 H new ATOM 0 HD2 LYS A 32 -12.397 2.069 6.870 1.00 4.51 H new ATOM 0 HD3 LYS A 32 -13.060 0.536 6.337 1.00 4.51 H new ATOM 0 HE2 LYS A 32 -13.798 0.013 8.642 1.00 55.24 H new ATOM 0 HE3 LYS A 32 -13.052 1.481 9.242 1.00 55.24 H new ATOM 0 HZ1 LYS A 32 -15.416 1.771 8.913 1.00 21.21 H new ATOM 0 HZ2 LYS A 32 -14.554 2.779 7.853 1.00 21.21 H new ATOM 0 HZ3 LYS A 32 -15.277 1.357 7.272 1.00 21.21 H new ATOM 569 N ARG A 33 -8.350 3.268 7.364 1.00 63.35 N ATOM 570 CA ARG A 33 -7.082 3.881 7.825 1.00 41.20 C ATOM 571 C ARG A 33 -7.271 4.639 9.157 1.00 53.21 C ATOM 572 O ARG A 33 -8.401 4.865 9.612 1.00 71.24 O ATOM 573 CB ARG A 33 -6.555 4.890 6.750 1.00 43.35 C ATOM 574 CG ARG A 33 -6.028 4.298 5.415 1.00 34.40 C ATOM 575 CD ARG A 33 -4.703 3.499 5.545 1.00 4.14 C ATOM 576 NE ARG A 33 -4.904 2.107 5.986 1.00 74.41 N ATOM 577 CZ ARG A 33 -4.183 1.462 6.882 1.00 0.22 C ATOM 578 NH1 ARG A 33 -3.304 2.065 7.619 1.00 22.41 N ATOM 579 NH2 ARG A 33 -4.402 0.203 7.071 1.00 15.34 N ATOM 0 H ARG A 33 -9.179 3.796 7.635 1.00 63.35 H new ATOM 0 HA ARG A 33 -6.365 3.074 7.976 1.00 41.20 H new ATOM 0 HB2 ARG A 33 -7.361 5.585 6.516 1.00 43.35 H new ATOM 0 HB3 ARG A 33 -5.752 5.474 7.200 1.00 43.35 H new ATOM 0 HG2 ARG A 33 -6.792 3.644 4.995 1.00 34.40 H new ATOM 0 HG3 ARG A 33 -5.879 5.111 4.705 1.00 34.40 H new ATOM 0 HD2 ARG A 33 -4.191 3.498 4.583 1.00 4.14 H new ATOM 0 HD3 ARG A 33 -4.048 4.007 6.253 1.00 4.14 H new ATOM 0 HE ARG A 33 -5.674 1.594 5.557 1.00 74.41 H new ATOM 0 HH11 ARG A 33 -3.153 3.068 7.515 1.00 22.41 H new ATOM 0 HH12 ARG A 33 -2.763 1.536 8.303 1.00 22.41 H new ATOM 0 HH21 ARG A 33 -5.123 -0.276 6.531 1.00 15.34 H new ATOM 0 HH22 ARG A 33 -3.854 -0.312 7.760 1.00 15.34 H new ATOM 593 N GLY A 34 -6.132 5.034 9.753 1.00 30.52 N ATOM 594 CA GLY A 34 -6.105 6.014 10.840 1.00 25.35 C ATOM 595 C GLY A 34 -6.313 7.443 10.313 1.00 71.02 C ATOM 596 O GLY A 34 -7.284 8.119 10.683 1.00 71.31 O ATOM 0 H GLY A 34 -5.211 4.681 9.492 1.00 30.52 H new ATOM 0 HA2 GLY A 34 -6.882 5.776 11.566 1.00 25.35 H new ATOM 0 HA3 GLY A 34 -5.151 5.953 11.363 1.00 25.35 H new ATOM 600 N ILE A 35 -5.412 7.886 9.403 1.00 53.11 N ATOM 601 CA ILE A 35 -5.461 9.252 8.812 1.00 13.33 C ATOM 602 C ILE A 35 -5.913 9.215 7.325 1.00 40.15 C ATOM 603 O ILE A 35 -5.649 8.243 6.600 1.00 3.22 O ATOM 604 CB ILE A 35 -4.076 10.001 8.924 1.00 72.41 C ATOM 605 CG1 ILE A 35 -2.975 9.310 8.059 1.00 75.33 C ATOM 606 CG2 ILE A 35 -3.632 10.113 10.405 1.00 50.51 C ATOM 607 CD1 ILE A 35 -1.642 10.037 8.011 1.00 44.43 C ATOM 0 H ILE A 35 -4.638 7.317 9.059 1.00 53.11 H new ATOM 0 HA ILE A 35 -6.198 9.807 9.393 1.00 13.33 H new ATOM 0 HB ILE A 35 -4.212 11.008 8.530 1.00 72.41 H new ATOM 0 HG12 ILE A 35 -2.809 8.305 8.446 1.00 75.33 H new ATOM 0 HG13 ILE A 35 -3.349 9.202 7.041 1.00 75.33 H new ATOM 0 HG21 ILE A 35 -2.675 10.632 10.460 1.00 50.51 H new ATOM 0 HG22 ILE A 35 -4.380 10.671 10.968 1.00 50.51 H new ATOM 0 HG23 ILE A 35 -3.528 9.115 10.830 1.00 50.51 H new ATOM 0 HD11 ILE A 35 -0.945 9.478 7.386 1.00 44.43 H new ATOM 0 HD12 ILE A 35 -1.786 11.033 7.593 1.00 44.43 H new ATOM 0 HD13 ILE A 35 -1.237 10.122 9.020 1.00 44.43 H new ATOM 619 N LEU A 36 -6.594 10.294 6.884 1.00 63.43 N ATOM 620 CA LEU A 36 -7.103 10.429 5.495 1.00 50.33 C ATOM 621 C LEU A 36 -5.975 10.724 4.463 1.00 13.21 C ATOM 622 O LEU A 36 -6.192 10.565 3.262 1.00 61.54 O ATOM 623 CB LEU A 36 -8.238 11.499 5.407 1.00 65.23 C ATOM 624 CG LEU A 36 -9.620 11.131 6.055 1.00 64.10 C ATOM 625 CD1 LEU A 36 -10.165 9.797 5.502 1.00 32.22 C ATOM 626 CD2 LEU A 36 -9.559 11.125 7.600 1.00 24.03 C ATOM 0 H LEU A 36 -6.808 11.096 7.476 1.00 63.43 H new ATOM 0 HA LEU A 36 -7.524 9.460 5.228 1.00 50.33 H new ATOM 0 HB2 LEU A 36 -7.877 12.414 5.877 1.00 65.23 H new ATOM 0 HB3 LEU A 36 -8.408 11.726 4.355 1.00 65.23 H new ATOM 0 HG LEU A 36 -10.322 11.916 5.772 1.00 64.10 H new ATOM 0 HD11 LEU A 36 -11.123 9.572 5.972 1.00 32.22 H new ATOM 0 HD12 LEU A 36 -10.300 9.878 4.423 1.00 32.22 H new ATOM 0 HD13 LEU A 36 -9.458 8.997 5.720 1.00 32.22 H new ATOM 0 HD21 LEU A 36 -10.538 10.865 8.002 1.00 24.03 H new ATOM 0 HD22 LEU A 36 -8.824 10.392 7.932 1.00 24.03 H new ATOM 0 HD23 LEU A 36 -9.271 12.114 7.957 1.00 24.03 H new ATOM 638 N GLU A 37 -4.784 11.162 4.925 1.00 61.33 N ATOM 639 CA GLU A 37 -3.621 11.411 4.024 1.00 51.42 C ATOM 640 C GLU A 37 -3.037 10.085 3.474 1.00 34.03 C ATOM 641 O GLU A 37 -2.763 9.960 2.270 1.00 22.43 O ATOM 642 CB GLU A 37 -2.521 12.238 4.745 1.00 32.24 C ATOM 643 CG GLU A 37 -2.980 13.637 5.199 1.00 32.43 C ATOM 644 CD GLU A 37 -1.834 14.529 5.708 1.00 54.23 C ATOM 645 OE1 GLU A 37 -1.504 14.466 6.904 1.00 4.12 O ATOM 646 OE2 GLU A 37 -1.257 15.299 4.904 1.00 65.24 O ATOM 0 H GLU A 37 -4.596 11.352 5.909 1.00 61.33 H new ATOM 0 HA GLU A 37 -3.984 11.993 3.177 1.00 51.42 H new ATOM 0 HB2 GLU A 37 -2.175 11.681 5.616 1.00 32.24 H new ATOM 0 HB3 GLU A 37 -1.667 12.347 4.076 1.00 32.24 H new ATOM 0 HG2 GLU A 37 -3.474 14.136 4.365 1.00 32.43 H new ATOM 0 HG3 GLU A 37 -3.722 13.527 5.990 1.00 32.43 H new ATOM 653 N THR A 38 -2.853 9.100 4.374 1.00 45.42 N ATOM 654 CA THR A 38 -2.425 7.730 3.998 1.00 0.34 C ATOM 655 C THR A 38 -3.559 6.984 3.251 1.00 44.35 C ATOM 656 O THR A 38 -3.287 6.110 2.421 1.00 23.22 O ATOM 657 CB THR A 38 -1.948 6.912 5.241 1.00 42.25 C ATOM 658 OG1 THR A 38 -0.917 7.652 5.914 1.00 4.43 O ATOM 659 CG2 THR A 38 -1.400 5.518 4.871 1.00 23.41 C ATOM 0 H THR A 38 -2.994 9.225 5.376 1.00 45.42 H new ATOM 0 HA THR A 38 -1.574 7.827 3.324 1.00 0.34 H new ATOM 0 HB THR A 38 -2.816 6.759 5.882 1.00 42.25 H new ATOM 0 HG1 THR A 38 -0.202 7.041 6.189 1.00 4.43 H new ATOM 0 HG21 THR A 38 -1.085 4.999 5.776 1.00 23.41 H new ATOM 0 HG22 THR A 38 -2.180 4.941 4.374 1.00 23.41 H new ATOM 0 HG23 THR A 38 -0.548 5.628 4.201 1.00 23.41 H new ATOM 667 N ASP A 39 -4.829 7.321 3.574 1.00 11.53 N ATOM 668 CA ASP A 39 -6.005 6.878 2.782 1.00 45.12 C ATOM 669 C ASP A 39 -5.849 7.267 1.290 1.00 15.12 C ATOM 670 O ASP A 39 -5.855 6.402 0.441 1.00 23.03 O ATOM 671 CB ASP A 39 -7.323 7.449 3.386 1.00 21.43 C ATOM 672 CG ASP A 39 -8.528 7.443 2.416 1.00 65.23 C ATOM 673 OD1 ASP A 39 -8.993 6.357 2.031 1.00 70.41 O ATOM 674 OD2 ASP A 39 -9.011 8.531 2.026 1.00 63.01 O ATOM 0 H ASP A 39 -5.068 7.900 4.379 1.00 11.53 H new ATOM 0 HA ASP A 39 -6.060 5.791 2.832 1.00 45.12 H new ATOM 0 HB2 ASP A 39 -7.583 6.869 4.272 1.00 21.43 H new ATOM 0 HB3 ASP A 39 -7.143 8.472 3.716 1.00 21.43 H new ATOM 679 N LEU A 40 -5.682 8.566 0.998 1.00 31.20 N ATOM 680 CA LEU A 40 -5.535 9.083 -0.394 1.00 33.15 C ATOM 681 C LEU A 40 -4.302 8.472 -1.124 1.00 72.14 C ATOM 682 O LEU A 40 -4.333 8.251 -2.344 1.00 40.33 O ATOM 683 CB LEU A 40 -5.447 10.634 -0.368 1.00 71.34 C ATOM 684 CG LEU A 40 -6.714 11.371 0.177 1.00 21.34 C ATOM 685 CD1 LEU A 40 -6.479 12.890 0.295 1.00 43.34 C ATOM 686 CD2 LEU A 40 -7.960 11.058 -0.686 1.00 14.43 C ATOM 0 H LEU A 40 -5.644 9.295 1.710 1.00 31.20 H new ATOM 0 HA LEU A 40 -6.416 8.778 -0.959 1.00 33.15 H new ATOM 0 HB2 LEU A 40 -4.590 10.922 0.242 1.00 71.34 H new ATOM 0 HB3 LEU A 40 -5.250 10.986 -1.381 1.00 71.34 H new ATOM 0 HG LEU A 40 -6.905 10.993 1.182 1.00 21.34 H new ATOM 0 HD11 LEU A 40 -7.381 13.369 0.677 1.00 43.34 H new ATOM 0 HD12 LEU A 40 -5.651 13.078 0.978 1.00 43.34 H new ATOM 0 HD13 LEU A 40 -6.239 13.298 -0.687 1.00 43.34 H new ATOM 0 HD21 LEU A 40 -8.824 11.585 -0.282 1.00 14.43 H new ATOM 0 HD22 LEU A 40 -7.784 11.383 -1.711 1.00 14.43 H new ATOM 0 HD23 LEU A 40 -8.151 9.985 -0.674 1.00 14.43 H new ATOM 698 N LEU A 41 -3.233 8.199 -0.355 1.00 13.22 N ATOM 699 CA LEU A 41 -2.006 7.538 -0.857 1.00 45.11 C ATOM 700 C LEU A 41 -2.282 6.078 -1.317 1.00 10.04 C ATOM 701 O LEU A 41 -2.105 5.737 -2.494 1.00 72.32 O ATOM 702 CB LEU A 41 -0.926 7.567 0.264 1.00 60.41 C ATOM 703 CG LEU A 41 0.404 6.783 0.001 1.00 73.15 C ATOM 704 CD1 LEU A 41 1.166 7.329 -1.227 1.00 33.20 C ATOM 705 CD2 LEU A 41 1.290 6.777 1.267 1.00 30.53 C ATOM 0 H LEU A 41 -3.192 8.430 0.638 1.00 13.22 H new ATOM 0 HA LEU A 41 -1.648 8.081 -1.732 1.00 45.11 H new ATOM 0 HB2 LEU A 41 -0.671 8.608 0.459 1.00 60.41 H new ATOM 0 HB3 LEU A 41 -1.375 7.173 1.175 1.00 60.41 H new ATOM 0 HG LEU A 41 0.140 5.751 -0.232 1.00 73.15 H new ATOM 0 HD11 LEU A 41 2.082 6.756 -1.372 1.00 33.20 H new ATOM 0 HD12 LEU A 41 0.538 7.240 -2.114 1.00 33.20 H new ATOM 0 HD13 LEU A 41 1.416 8.377 -1.063 1.00 33.20 H new ATOM 0 HD21 LEU A 41 2.210 6.228 1.065 1.00 30.53 H new ATOM 0 HD22 LEU A 41 1.534 7.802 1.546 1.00 30.53 H new ATOM 0 HD23 LEU A 41 0.753 6.297 2.085 1.00 30.53 H new ATOM 717 N LEU A 42 -2.752 5.247 -0.373 1.00 20.43 N ATOM 718 CA LEU A 42 -2.961 3.799 -0.587 1.00 0.53 C ATOM 719 C LEU A 42 -4.219 3.486 -1.425 1.00 24.24 C ATOM 720 O LEU A 42 -4.268 2.454 -2.065 1.00 2.53 O ATOM 721 CB LEU A 42 -3.021 3.062 0.779 1.00 50.32 C ATOM 722 CG LEU A 42 -1.699 3.033 1.604 1.00 14.31 C ATOM 723 CD1 LEU A 42 -1.887 2.257 2.926 1.00 14.04 C ATOM 724 CD2 LEU A 42 -0.534 2.459 0.765 1.00 15.53 C ATOM 0 H LEU A 42 -3.000 5.559 0.566 1.00 20.43 H new ATOM 0 HA LEU A 42 -2.109 3.438 -1.163 1.00 0.53 H new ATOM 0 HB2 LEU A 42 -3.794 3.531 1.388 1.00 50.32 H new ATOM 0 HB3 LEU A 42 -3.336 2.034 0.600 1.00 50.32 H new ATOM 0 HG LEU A 42 -1.439 4.059 1.863 1.00 14.31 H new ATOM 0 HD11 LEU A 42 -0.949 2.252 3.482 1.00 14.04 H new ATOM 0 HD12 LEU A 42 -2.661 2.739 3.524 1.00 14.04 H new ATOM 0 HD13 LEU A 42 -2.184 1.231 2.707 1.00 14.04 H new ATOM 0 HD21 LEU A 42 0.376 2.450 1.365 1.00 15.53 H new ATOM 0 HD22 LEU A 42 -0.775 1.442 0.456 1.00 15.53 H new ATOM 0 HD23 LEU A 42 -0.381 3.080 -0.118 1.00 15.53 H new ATOM 736 N SER A 43 -5.233 4.364 -1.388 1.00 74.32 N ATOM 737 CA SER A 43 -6.502 4.188 -2.161 1.00 11.23 C ATOM 738 C SER A 43 -6.239 4.228 -3.679 1.00 24.11 C ATOM 739 O SER A 43 -6.675 3.337 -4.420 1.00 72.01 O ATOM 740 CB SER A 43 -7.535 5.280 -1.780 1.00 12.11 C ATOM 741 OG SER A 43 -8.731 5.186 -2.539 1.00 24.23 O ATOM 0 H SER A 43 -5.211 5.217 -0.828 1.00 74.32 H new ATOM 0 HA SER A 43 -6.909 3.210 -1.904 1.00 11.23 H new ATOM 0 HB2 SER A 43 -7.774 5.195 -0.720 1.00 12.11 H new ATOM 0 HB3 SER A 43 -7.090 6.264 -1.929 1.00 12.11 H new ATOM 0 HG SER A 43 -9.351 5.893 -2.262 1.00 24.23 H new ATOM 747 N GLY A 44 -5.515 5.275 -4.122 1.00 4.40 N ATOM 748 CA GLY A 44 -5.119 5.416 -5.532 1.00 51.42 C ATOM 749 C GLY A 44 -4.131 4.332 -5.985 1.00 70.42 C ATOM 750 O GLY A 44 -4.243 3.799 -7.097 1.00 40.13 O ATOM 0 H GLY A 44 -5.194 6.034 -3.521 1.00 4.40 H new ATOM 0 HA2 GLY A 44 -6.009 5.375 -6.160 1.00 51.42 H new ATOM 0 HA3 GLY A 44 -4.668 6.397 -5.681 1.00 51.42 H new ATOM 754 N PHE A 45 -3.154 4.018 -5.102 1.00 42.32 N ATOM 755 CA PHE A 45 -2.149 2.950 -5.331 1.00 35.33 C ATOM 756 C PHE A 45 -2.837 1.587 -5.516 1.00 55.34 C ATOM 757 O PHE A 45 -2.486 0.808 -6.401 1.00 34.02 O ATOM 758 CB PHE A 45 -1.157 2.894 -4.133 1.00 32.23 C ATOM 759 CG PHE A 45 0.009 1.920 -4.320 1.00 33.13 C ATOM 760 CD1 PHE A 45 1.141 2.292 -5.036 1.00 3.44 C ATOM 761 CD2 PHE A 45 -0.034 0.630 -3.797 1.00 54.22 C ATOM 762 CE1 PHE A 45 2.188 1.410 -5.216 1.00 42.12 C ATOM 763 CE2 PHE A 45 1.016 -0.248 -3.976 1.00 61.33 C ATOM 764 CZ PHE A 45 2.125 0.141 -4.690 1.00 64.51 C ATOM 0 H PHE A 45 -3.039 4.498 -4.209 1.00 42.32 H new ATOM 0 HA PHE A 45 -1.597 3.180 -6.242 1.00 35.33 H new ATOM 0 HB2 PHE A 45 -0.756 3.893 -3.963 1.00 32.23 H new ATOM 0 HB3 PHE A 45 -1.707 2.614 -3.235 1.00 32.23 H new ATOM 0 HD1 PHE A 45 1.202 3.285 -5.457 1.00 3.44 H new ATOM 0 HD2 PHE A 45 -0.904 0.311 -3.242 1.00 54.22 H new ATOM 0 HE1 PHE A 45 3.061 1.718 -5.773 1.00 42.12 H new ATOM 0 HE2 PHE A 45 0.966 -1.241 -3.555 1.00 61.33 H new ATOM 0 HZ PHE A 45 2.944 -0.548 -4.837 1.00 64.51 H new ATOM 774 N ALA A 46 -3.830 1.336 -4.667 1.00 50.43 N ATOM 775 CA ALA A 46 -4.585 0.082 -4.664 1.00 74.20 C ATOM 776 C ALA A 46 -5.434 -0.089 -5.941 1.00 15.32 C ATOM 777 O ALA A 46 -5.426 -1.148 -6.572 1.00 12.33 O ATOM 778 CB ALA A 46 -5.453 -0.005 -3.411 1.00 1.25 C ATOM 0 H ALA A 46 -4.137 2.000 -3.956 1.00 50.43 H new ATOM 0 HA ALA A 46 -3.867 -0.738 -4.653 1.00 74.20 H new ATOM 0 HB1 ALA A 46 -6.010 -0.942 -3.419 1.00 1.25 H new ATOM 0 HB2 ALA A 46 -4.818 0.032 -2.526 1.00 1.25 H new ATOM 0 HB3 ALA A 46 -6.151 0.832 -3.393 1.00 1.25 H new ATOM 784 N ALA A 47 -6.140 0.982 -6.320 1.00 23.32 N ATOM 785 CA ALA A 47 -7.030 0.986 -7.501 1.00 0.45 C ATOM 786 C ALA A 47 -6.248 0.844 -8.833 1.00 50.45 C ATOM 787 O ALA A 47 -6.744 0.261 -9.789 1.00 23.22 O ATOM 788 CB ALA A 47 -7.872 2.263 -7.495 1.00 1.35 C ATOM 0 H ALA A 47 -6.115 1.872 -5.822 1.00 23.32 H new ATOM 0 HA ALA A 47 -7.683 0.116 -7.435 1.00 0.45 H new ATOM 0 HB1 ALA A 47 -8.529 2.269 -8.364 1.00 1.35 H new ATOM 0 HB2 ALA A 47 -8.472 2.299 -6.586 1.00 1.35 H new ATOM 0 HB3 ALA A 47 -7.215 3.132 -7.530 1.00 1.35 H new ATOM 794 N LYS A 48 -5.020 1.381 -8.873 1.00 43.43 N ATOM 795 CA LYS A 48 -4.161 1.345 -10.079 1.00 30.20 C ATOM 796 C LYS A 48 -3.381 0.004 -10.197 1.00 30.14 C ATOM 797 O LYS A 48 -3.453 -0.690 -11.220 1.00 60.03 O ATOM 798 CB LYS A 48 -3.171 2.543 -10.037 1.00 65.34 C ATOM 799 CG LYS A 48 -2.149 2.593 -11.201 1.00 52.13 C ATOM 800 CD LYS A 48 -1.211 3.822 -11.135 1.00 0.01 C ATOM 801 CE LYS A 48 -1.940 5.151 -11.400 1.00 11.12 C ATOM 802 NZ LYS A 48 -2.535 5.205 -12.764 1.00 12.20 N ATOM 0 H LYS A 48 -4.590 1.852 -8.077 1.00 43.43 H new ATOM 0 HA LYS A 48 -4.802 1.422 -10.958 1.00 30.20 H new ATOM 0 HB2 LYS A 48 -3.746 3.469 -10.039 1.00 65.34 H new ATOM 0 HB3 LYS A 48 -2.624 2.509 -9.095 1.00 65.34 H new ATOM 0 HG2 LYS A 48 -1.548 1.684 -11.188 1.00 52.13 H new ATOM 0 HG3 LYS A 48 -2.687 2.605 -12.149 1.00 52.13 H new ATOM 0 HD2 LYS A 48 -0.742 3.861 -10.152 1.00 0.01 H new ATOM 0 HD3 LYS A 48 -0.411 3.701 -11.865 1.00 0.01 H new ATOM 0 HE2 LYS A 48 -2.726 5.286 -10.657 1.00 11.12 H new ATOM 0 HE3 LYS A 48 -1.240 5.978 -11.278 1.00 11.12 H new ATOM 0 HZ1 LYS A 48 -2.850 6.175 -12.967 1.00 12.20 H new ATOM 0 HZ2 LYS A 48 -1.822 4.919 -13.465 1.00 12.20 H new ATOM 0 HZ3 LYS A 48 -3.349 4.559 -12.814 1.00 12.20 H new ATOM 816 N TYR A 49 -2.648 -0.345 -9.133 1.00 33.30 N ATOM 817 CA TYR A 49 -1.650 -1.440 -9.146 1.00 3.33 C ATOM 818 C TYR A 49 -2.263 -2.847 -8.962 1.00 63.44 C ATOM 819 O TYR A 49 -1.833 -3.783 -9.633 1.00 61.23 O ATOM 820 CB TYR A 49 -0.561 -1.178 -8.075 1.00 63.22 C ATOM 821 CG TYR A 49 0.444 -0.069 -8.443 1.00 60.40 C ATOM 822 CD1 TYR A 49 0.114 1.285 -8.335 1.00 4.01 C ATOM 823 CD2 TYR A 49 1.729 -0.381 -8.896 1.00 60.33 C ATOM 824 CE1 TYR A 49 1.028 2.276 -8.656 1.00 33.10 C ATOM 825 CE2 TYR A 49 2.640 0.608 -9.217 1.00 52.54 C ATOM 826 CZ TYR A 49 2.286 1.931 -9.098 1.00 5.33 C ATOM 827 OH TYR A 49 3.198 2.911 -9.422 1.00 11.13 O ATOM 0 H TYR A 49 -2.725 0.122 -8.230 1.00 33.30 H new ATOM 0 HA TYR A 49 -1.204 -1.437 -10.140 1.00 3.33 H new ATOM 0 HB2 TYR A 49 -1.048 -0.912 -7.137 1.00 63.22 H new ATOM 0 HB3 TYR A 49 -0.013 -2.103 -7.898 1.00 63.22 H new ATOM 0 HD1 TYR A 49 -0.872 1.564 -7.995 1.00 4.01 H new ATOM 0 HD2 TYR A 49 2.016 -1.417 -8.997 1.00 60.33 H new ATOM 0 HE1 TYR A 49 0.754 3.316 -8.560 1.00 33.10 H new ATOM 0 HE2 TYR A 49 3.629 0.342 -9.561 1.00 52.54 H new ATOM 0 HH TYR A 49 4.036 2.495 -9.714 1.00 11.13 H new ATOM 837 N LEU A 50 -3.248 -3.005 -8.051 1.00 11.20 N ATOM 838 CA LEU A 50 -3.831 -4.351 -7.747 1.00 42.12 C ATOM 839 C LEU A 50 -4.457 -5.028 -8.980 1.00 41.34 C ATOM 840 O LEU A 50 -4.328 -6.238 -9.148 1.00 12.22 O ATOM 841 CB LEU A 50 -4.870 -4.299 -6.594 1.00 33.14 C ATOM 842 CG LEU A 50 -4.294 -4.449 -5.158 1.00 72.12 C ATOM 843 CD1 LEU A 50 -3.464 -3.247 -4.730 1.00 3.31 C ATOM 844 CD2 LEU A 50 -5.401 -4.730 -4.149 1.00 12.44 C ATOM 0 H LEU A 50 -3.657 -2.239 -7.516 1.00 11.20 H new ATOM 0 HA LEU A 50 -2.985 -4.958 -7.425 1.00 42.12 H new ATOM 0 HB2 LEU A 50 -5.404 -3.351 -6.654 1.00 33.14 H new ATOM 0 HB3 LEU A 50 -5.604 -5.089 -6.755 1.00 33.14 H new ATOM 0 HG LEU A 50 -3.621 -5.306 -5.182 1.00 72.12 H new ATOM 0 HD11 LEU A 50 -3.087 -3.406 -3.720 1.00 3.31 H new ATOM 0 HD12 LEU A 50 -2.625 -3.122 -5.415 1.00 3.31 H new ATOM 0 HD13 LEU A 50 -4.085 -2.351 -4.749 1.00 3.31 H new ATOM 0 HD21 LEU A 50 -4.969 -4.830 -3.153 1.00 12.44 H new ATOM 0 HD22 LEU A 50 -6.115 -3.906 -4.153 1.00 12.44 H new ATOM 0 HD23 LEU A 50 -5.912 -5.655 -4.418 1.00 12.44 H new ATOM 856 N LYS A 51 -5.110 -4.223 -9.829 1.00 53.15 N ATOM 857 CA LYS A 51 -5.797 -4.705 -11.053 1.00 12.41 C ATOM 858 C LYS A 51 -4.831 -5.430 -12.022 1.00 2.32 C ATOM 859 O LYS A 51 -5.229 -6.369 -12.727 1.00 44.41 O ATOM 860 CB LYS A 51 -6.473 -3.509 -11.766 1.00 61.25 C ATOM 861 CG LYS A 51 -7.673 -2.909 -11.005 1.00 43.35 C ATOM 862 CD LYS A 51 -8.297 -1.712 -11.756 1.00 53.14 C ATOM 863 CE LYS A 51 -9.475 -1.074 -11.001 1.00 1.51 C ATOM 864 NZ LYS A 51 -9.919 0.184 -11.654 1.00 40.52 N ATOM 0 H LYS A 51 -5.182 -3.215 -9.693 1.00 53.15 H new ATOM 0 HA LYS A 51 -6.549 -5.433 -10.750 1.00 12.41 H new ATOM 0 HB2 LYS A 51 -5.730 -2.727 -11.922 1.00 61.25 H new ATOM 0 HB3 LYS A 51 -6.808 -3.832 -12.752 1.00 61.25 H new ATOM 0 HG2 LYS A 51 -8.430 -3.679 -10.858 1.00 43.35 H new ATOM 0 HG3 LYS A 51 -7.350 -2.587 -10.015 1.00 43.35 H new ATOM 0 HD2 LYS A 51 -7.530 -0.957 -11.925 1.00 53.14 H new ATOM 0 HD3 LYS A 51 -8.639 -2.044 -12.736 1.00 53.14 H new ATOM 0 HE2 LYS A 51 -10.307 -1.777 -10.960 1.00 1.51 H new ATOM 0 HE3 LYS A 51 -9.181 -0.867 -9.972 1.00 1.51 H new ATOM 0 HZ1 LYS A 51 -10.715 0.590 -11.121 1.00 40.52 H new ATOM 0 HZ2 LYS A 51 -9.131 0.863 -11.671 1.00 40.52 H new ATOM 0 HZ3 LYS A 51 -10.222 -0.019 -12.628 1.00 40.52 H new ATOM 878 N LYS A 52 -3.568 -4.969 -12.061 1.00 40.31 N ATOM 879 CA LYS A 52 -2.509 -5.570 -12.904 1.00 51.21 C ATOM 880 C LYS A 52 -1.579 -6.517 -12.092 1.00 10.11 C ATOM 881 O LYS A 52 -0.812 -7.283 -12.683 1.00 4.31 O ATOM 882 CB LYS A 52 -1.709 -4.440 -13.608 1.00 65.32 C ATOM 883 CG LYS A 52 -0.914 -3.501 -12.668 1.00 43.43 C ATOM 884 CD LYS A 52 -0.430 -2.216 -13.380 1.00 12.11 C ATOM 885 CE LYS A 52 0.547 -1.393 -12.523 1.00 23.13 C ATOM 886 NZ LYS A 52 1.841 -2.103 -12.313 1.00 23.05 N ATOM 0 H LYS A 52 -3.249 -4.171 -11.512 1.00 40.31 H new ATOM 0 HA LYS A 52 -2.982 -6.194 -13.662 1.00 51.21 H new ATOM 0 HB2 LYS A 52 -1.012 -4.896 -14.312 1.00 65.32 H new ATOM 0 HB3 LYS A 52 -2.404 -3.837 -14.193 1.00 65.32 H new ATOM 0 HG2 LYS A 52 -1.541 -3.227 -11.819 1.00 43.43 H new ATOM 0 HG3 LYS A 52 -0.053 -4.037 -12.269 1.00 43.43 H new ATOM 0 HD2 LYS A 52 0.055 -2.486 -14.318 1.00 12.11 H new ATOM 0 HD3 LYS A 52 -1.292 -1.599 -13.633 1.00 12.11 H new ATOM 0 HE2 LYS A 52 0.734 -0.434 -13.006 1.00 23.13 H new ATOM 0 HE3 LYS A 52 0.090 -1.179 -11.557 1.00 23.13 H new ATOM 0 HZ1 LYS A 52 2.538 -1.444 -11.911 1.00 23.05 H new ATOM 0 HZ2 LYS A 52 1.698 -2.898 -11.658 1.00 23.05 H new ATOM 0 HZ3 LYS A 52 2.191 -2.464 -13.224 1.00 23.05 H new ATOM 900 N MET A 53 -1.643 -6.462 -10.739 1.00 3.14 N ATOM 901 CA MET A 53 -0.851 -7.365 -9.857 1.00 30.33 C ATOM 902 C MET A 53 -1.604 -8.689 -9.560 1.00 42.23 C ATOM 903 O MET A 53 -2.812 -8.700 -9.308 1.00 24.04 O ATOM 904 CB MET A 53 -0.440 -6.675 -8.518 1.00 22.03 C ATOM 905 CG MET A 53 0.726 -5.673 -8.627 1.00 74.23 C ATOM 906 SD MET A 53 1.415 -5.189 -7.020 1.00 11.02 S ATOM 907 CE MET A 53 0.023 -4.413 -6.202 1.00 32.52 C ATOM 0 H MET A 53 -2.234 -5.803 -10.232 1.00 3.14 H new ATOM 0 HA MET A 53 0.059 -7.600 -10.409 1.00 30.33 H new ATOM 0 HB2 MET A 53 -1.309 -6.155 -8.114 1.00 22.03 H new ATOM 0 HB3 MET A 53 -0.168 -7.447 -7.798 1.00 22.03 H new ATOM 0 HG2 MET A 53 1.517 -6.112 -9.235 1.00 74.23 H new ATOM 0 HG3 MET A 53 0.381 -4.781 -9.149 1.00 74.23 H new ATOM 0 HE1 MET A 53 0.349 -3.487 -5.729 1.00 32.52 H new ATOM 0 HE2 MET A 53 -0.753 -4.193 -6.935 1.00 32.52 H new ATOM 0 HE3 MET A 53 -0.375 -5.087 -5.443 1.00 32.52 H new ATOM 917 N ASN A 54 -0.840 -9.794 -9.558 1.00 22.11 N ATOM 918 CA ASN A 54 -1.346 -11.153 -9.248 1.00 21.44 C ATOM 919 C ASN A 54 -1.216 -11.430 -7.733 1.00 25.13 C ATOM 920 O ASN A 54 -0.592 -10.653 -7.026 1.00 4.52 O ATOM 921 CB ASN A 54 -0.566 -12.215 -10.066 1.00 32.12 C ATOM 922 CG ASN A 54 -0.678 -12.025 -11.578 1.00 35.12 C ATOM 923 OD1 ASN A 54 -1.666 -11.507 -12.091 1.00 73.25 O ATOM 924 ND2 ASN A 54 0.336 -12.460 -12.302 1.00 44.35 N ATOM 0 H ASN A 54 0.157 -9.775 -9.773 1.00 22.11 H new ATOM 0 HA ASN A 54 -2.399 -11.213 -9.524 1.00 21.44 H new ATOM 0 HB2 ASN A 54 0.485 -12.181 -9.781 1.00 32.12 H new ATOM 0 HB3 ASN A 54 -0.935 -13.207 -9.804 1.00 32.12 H new ATOM 0 HD21 ASN A 54 0.313 -12.370 -13.318 1.00 44.35 H new ATOM 0 HD22 ASN A 54 1.143 -12.886 -11.846 1.00 44.35 H new ATOM 931 N GLU A 55 -1.746 -12.577 -7.260 1.00 61.54 N ATOM 932 CA GLU A 55 -1.856 -12.892 -5.814 1.00 24.22 C ATOM 933 C GLU A 55 -0.467 -12.988 -5.121 1.00 73.52 C ATOM 934 O GLU A 55 -0.314 -12.613 -3.951 1.00 54.11 O ATOM 935 CB GLU A 55 -2.652 -14.205 -5.645 1.00 3.52 C ATOM 936 CG GLU A 55 -2.927 -14.603 -4.188 1.00 14.20 C ATOM 937 CD GLU A 55 -3.854 -15.823 -4.048 1.00 75.53 C ATOM 938 OE1 GLU A 55 -3.398 -16.960 -4.320 1.00 35.43 O ATOM 939 OE2 GLU A 55 -5.036 -15.652 -3.659 1.00 34.32 O ATOM 0 H GLU A 55 -2.110 -13.312 -7.866 1.00 61.54 H new ATOM 0 HA GLU A 55 -2.384 -12.074 -5.324 1.00 24.22 H new ATOM 0 HB2 GLU A 55 -3.604 -14.107 -6.167 1.00 3.52 H new ATOM 0 HB3 GLU A 55 -2.104 -15.012 -6.131 1.00 3.52 H new ATOM 0 HG2 GLU A 55 -1.980 -14.818 -3.694 1.00 14.20 H new ATOM 0 HG3 GLU A 55 -3.373 -13.756 -3.667 1.00 14.20 H new ATOM 946 N GLU A 56 0.529 -13.474 -5.877 1.00 12.10 N ATOM 947 CA GLU A 56 1.939 -13.560 -5.429 1.00 54.22 C ATOM 948 C GLU A 56 2.568 -12.160 -5.166 1.00 70.41 C ATOM 949 O GLU A 56 3.492 -12.026 -4.368 1.00 73.13 O ATOM 950 CB GLU A 56 2.755 -14.350 -6.483 1.00 12.14 C ATOM 951 CG GLU A 56 2.740 -13.734 -7.907 1.00 23.13 C ATOM 952 CD GLU A 56 3.249 -14.708 -8.980 1.00 22.00 C ATOM 953 OE1 GLU A 56 4.471 -14.770 -9.224 1.00 55.53 O ATOM 954 OE2 GLU A 56 2.418 -15.443 -9.561 1.00 14.14 O ATOM 0 H GLU A 56 0.384 -13.823 -6.825 1.00 12.10 H new ATOM 0 HA GLU A 56 1.964 -14.085 -4.474 1.00 54.22 H new ATOM 0 HB2 GLU A 56 3.788 -14.422 -6.144 1.00 12.14 H new ATOM 0 HB3 GLU A 56 2.366 -15.367 -6.537 1.00 12.14 H new ATOM 0 HG2 GLU A 56 1.724 -13.426 -8.154 1.00 23.13 H new ATOM 0 HG3 GLU A 56 3.357 -12.835 -7.916 1.00 23.13 H new ATOM 961 N GLU A 57 2.105 -11.143 -5.907 1.00 4.54 N ATOM 962 CA GLU A 57 2.454 -9.720 -5.663 1.00 33.32 C ATOM 963 C GLU A 57 1.591 -9.121 -4.505 1.00 22.23 C ATOM 964 O GLU A 57 2.102 -8.445 -3.603 1.00 43.22 O ATOM 965 CB GLU A 57 2.262 -8.934 -6.988 1.00 54.43 C ATOM 966 CG GLU A 57 3.025 -9.542 -8.186 1.00 21.33 C ATOM 967 CD GLU A 57 2.827 -8.769 -9.503 1.00 34.42 C ATOM 968 OE1 GLU A 57 3.442 -7.695 -9.665 1.00 65.44 O ATOM 969 OE2 GLU A 57 2.053 -9.227 -10.379 1.00 30.24 O ATOM 0 H GLU A 57 1.475 -11.276 -6.698 1.00 4.54 H new ATOM 0 HA GLU A 57 3.494 -9.642 -5.347 1.00 33.32 H new ATOM 0 HB2 GLU A 57 1.199 -8.896 -7.227 1.00 54.43 H new ATOM 0 HB3 GLU A 57 2.593 -7.906 -6.842 1.00 54.43 H new ATOM 0 HG2 GLU A 57 4.089 -9.573 -7.950 1.00 21.33 H new ATOM 0 HG3 GLU A 57 2.699 -10.573 -8.327 1.00 21.33 H new ATOM 976 N LEU A 58 0.272 -9.398 -4.565 1.00 31.32 N ATOM 977 CA LEU A 58 -0.747 -8.943 -3.569 1.00 44.52 C ATOM 978 C LEU A 58 -0.475 -9.397 -2.113 1.00 41.31 C ATOM 979 O LEU A 58 -0.970 -8.765 -1.184 1.00 61.02 O ATOM 980 CB LEU A 58 -2.175 -9.413 -3.976 1.00 72.25 C ATOM 981 CG LEU A 58 -2.718 -8.899 -5.344 1.00 31.53 C ATOM 982 CD1 LEU A 58 -4.232 -9.151 -5.475 1.00 33.44 C ATOM 983 CD2 LEU A 58 -2.376 -7.418 -5.569 1.00 34.44 C ATOM 0 H LEU A 58 -0.133 -9.954 -5.318 1.00 31.32 H new ATOM 0 HA LEU A 58 -0.674 -7.856 -3.584 1.00 44.52 H new ATOM 0 HB2 LEU A 58 -2.182 -10.503 -3.995 1.00 72.25 H new ATOM 0 HB3 LEU A 58 -2.870 -9.103 -3.196 1.00 72.25 H new ATOM 0 HG LEU A 58 -2.219 -9.469 -6.127 1.00 31.53 H new ATOM 0 HD11 LEU A 58 -4.580 -8.781 -6.439 1.00 33.44 H new ATOM 0 HD12 LEU A 58 -4.430 -10.220 -5.403 1.00 33.44 H new ATOM 0 HD13 LEU A 58 -4.758 -8.630 -4.675 1.00 33.44 H new ATOM 0 HD21 LEU A 58 -2.771 -7.096 -6.533 1.00 34.44 H new ATOM 0 HD22 LEU A 58 -2.821 -6.817 -4.775 1.00 34.44 H new ATOM 0 HD23 LEU A 58 -1.294 -7.289 -5.559 1.00 34.44 H new ATOM 995 N GLU A 59 0.224 -10.534 -1.921 1.00 22.21 N ATOM 996 CA GLU A 59 0.598 -11.026 -0.563 1.00 32.34 C ATOM 997 C GLU A 59 1.585 -10.061 0.158 1.00 5.41 C ATOM 998 O GLU A 59 1.554 -9.933 1.388 1.00 52.31 O ATOM 999 CB GLU A 59 1.197 -12.457 -0.645 1.00 54.14 C ATOM 1000 CG GLU A 59 2.496 -12.552 -1.464 1.00 13.10 C ATOM 1001 CD GLU A 59 3.101 -13.963 -1.526 1.00 62.12 C ATOM 1002 OE1 GLU A 59 2.529 -14.834 -2.217 1.00 10.33 O ATOM 1003 OE2 GLU A 59 4.152 -14.209 -0.886 1.00 45.43 O ATOM 0 H GLU A 59 0.544 -11.133 -2.682 1.00 22.21 H new ATOM 0 HA GLU A 59 -0.315 -11.060 0.031 1.00 32.34 H new ATOM 0 HB2 GLU A 59 1.391 -12.816 0.366 1.00 54.14 H new ATOM 0 HB3 GLU A 59 0.455 -13.125 -1.083 1.00 54.14 H new ATOM 0 HG2 GLU A 59 2.298 -12.209 -2.480 1.00 13.10 H new ATOM 0 HG3 GLU A 59 3.232 -11.872 -1.036 1.00 13.10 H new ATOM 1010 N GLU A 60 2.454 -9.379 -0.625 1.00 61.24 N ATOM 1011 CA GLU A 60 3.363 -8.333 -0.096 1.00 1.31 C ATOM 1012 C GLU A 60 2.559 -7.048 0.228 1.00 13.32 C ATOM 1013 O GLU A 60 2.808 -6.376 1.238 1.00 13.10 O ATOM 1014 CB GLU A 60 4.520 -8.058 -1.106 1.00 72.20 C ATOM 1015 CG GLU A 60 5.545 -6.986 -0.655 1.00 45.11 C ATOM 1016 CD GLU A 60 6.885 -7.039 -1.430 1.00 31.00 C ATOM 1017 OE1 GLU A 60 7.785 -7.795 -1.007 1.00 51.33 O ATOM 1018 OE2 GLU A 60 7.043 -6.349 -2.462 1.00 32.30 O ATOM 0 H GLU A 60 2.545 -9.535 -1.629 1.00 61.24 H new ATOM 0 HA GLU A 60 3.818 -8.683 0.831 1.00 1.31 H new ATOM 0 HB2 GLU A 60 5.051 -8.992 -1.289 1.00 72.20 H new ATOM 0 HB3 GLU A 60 4.086 -7.746 -2.056 1.00 72.20 H new ATOM 0 HG2 GLU A 60 5.102 -5.998 -0.780 1.00 45.11 H new ATOM 0 HG3 GLU A 60 5.746 -7.113 0.409 1.00 45.11 H new ATOM 1025 N TYR A 61 1.558 -6.744 -0.627 1.00 44.21 N ATOM 1026 CA TYR A 61 0.630 -5.608 -0.407 1.00 23.40 C ATOM 1027 C TYR A 61 -0.290 -5.850 0.816 1.00 23.03 C ATOM 1028 O TYR A 61 -0.683 -4.907 1.514 1.00 51.52 O ATOM 1029 CB TYR A 61 -0.221 -5.327 -1.674 1.00 71.52 C ATOM 1030 CG TYR A 61 -1.073 -4.057 -1.540 1.00 52.50 C ATOM 1031 CD1 TYR A 61 -0.474 -2.800 -1.611 1.00 64.33 C ATOM 1032 CD2 TYR A 61 -2.450 -4.103 -1.289 1.00 63.54 C ATOM 1033 CE1 TYR A 61 -1.205 -1.649 -1.452 1.00 34.10 C ATOM 1034 CE2 TYR A 61 -3.184 -2.942 -1.121 1.00 22.55 C ATOM 1035 CZ TYR A 61 -2.550 -1.721 -1.206 1.00 42.12 C ATOM 1036 OH TYR A 61 -3.261 -0.564 -1.035 1.00 22.41 O ATOM 0 H TYR A 61 1.370 -7.271 -1.480 1.00 44.21 H new ATOM 0 HA TYR A 61 1.242 -4.730 -0.199 1.00 23.40 H new ATOM 0 HB2 TYR A 61 0.438 -5.229 -2.536 1.00 71.52 H new ATOM 0 HB3 TYR A 61 -0.873 -6.179 -1.866 1.00 71.52 H new ATOM 0 HD1 TYR A 61 0.588 -2.730 -1.795 1.00 64.33 H new ATOM 0 HD2 TYR A 61 -2.947 -5.060 -1.226 1.00 63.54 H new ATOM 0 HE1 TYR A 61 -0.719 -0.687 -1.521 1.00 34.10 H new ATOM 0 HE2 TYR A 61 -4.245 -2.992 -0.925 1.00 22.55 H new ATOM 0 HH TYR A 61 -2.905 0.130 -1.629 1.00 22.41 H new ATOM 1046 N ASP A 62 -0.611 -7.130 1.058 1.00 42.41 N ATOM 1047 CA ASP A 62 -1.463 -7.578 2.185 1.00 2.40 C ATOM 1048 C ASP A 62 -0.813 -7.166 3.538 1.00 63.15 C ATOM 1049 O ASP A 62 -1.491 -6.784 4.496 1.00 11.34 O ATOM 1050 CB ASP A 62 -1.644 -9.134 2.087 1.00 33.40 C ATOM 1051 CG ASP A 62 -3.034 -9.645 2.510 1.00 73.12 C ATOM 1052 OD1 ASP A 62 -3.411 -9.476 3.689 1.00 34.41 O ATOM 1053 OD2 ASP A 62 -3.760 -10.225 1.654 1.00 14.04 O ATOM 0 H ASP A 62 -0.285 -7.898 0.472 1.00 42.41 H new ATOM 0 HA ASP A 62 -2.443 -7.104 2.133 1.00 2.40 H new ATOM 0 HB2 ASP A 62 -1.454 -9.445 1.060 1.00 33.40 H new ATOM 0 HB3 ASP A 62 -0.890 -9.614 2.710 1.00 33.40 H new ATOM 1058 N SER A 63 0.532 -7.216 3.548 1.00 2.44 N ATOM 1059 CA SER A 63 1.369 -6.858 4.713 1.00 32.42 C ATOM 1060 C SER A 63 1.454 -5.323 4.926 1.00 2.42 C ATOM 1061 O SER A 63 1.596 -4.861 6.058 1.00 41.13 O ATOM 1062 CB SER A 63 2.787 -7.447 4.524 1.00 1.23 C ATOM 1063 OG SER A 63 2.739 -8.844 4.245 1.00 5.22 O ATOM 0 H SER A 63 1.077 -7.510 2.737 1.00 2.44 H new ATOM 0 HA SER A 63 0.902 -7.280 5.603 1.00 32.42 H new ATOM 0 HB2 SER A 63 3.292 -6.929 3.708 1.00 1.23 H new ATOM 0 HB3 SER A 63 3.377 -7.275 5.424 1.00 1.23 H new ATOM 0 HG SER A 63 2.402 -8.985 3.336 1.00 5.22 H new ATOM 1069 N LEU A 64 1.361 -4.543 3.825 1.00 23.14 N ATOM 1070 CA LEU A 64 1.467 -3.059 3.862 1.00 34.32 C ATOM 1071 C LEU A 64 0.265 -2.412 4.598 1.00 41.22 C ATOM 1072 O LEU A 64 0.401 -1.376 5.254 1.00 42.22 O ATOM 1073 CB LEU A 64 1.585 -2.499 2.417 1.00 41.24 C ATOM 1074 CG LEU A 64 1.836 -0.960 2.290 1.00 51.21 C ATOM 1075 CD1 LEU A 64 3.170 -0.546 2.953 1.00 50.13 C ATOM 1076 CD2 LEU A 64 1.769 -0.494 0.815 1.00 44.24 C ATOM 0 H LEU A 64 1.211 -4.918 2.888 1.00 23.14 H new ATOM 0 HA LEU A 64 2.366 -2.803 4.422 1.00 34.32 H new ATOM 0 HB2 LEU A 64 2.398 -3.021 1.913 1.00 41.24 H new ATOM 0 HB3 LEU A 64 0.668 -2.742 1.880 1.00 41.24 H new ATOM 0 HG LEU A 64 1.034 -0.455 2.829 1.00 51.21 H new ATOM 0 HD11 LEU A 64 3.311 0.529 2.845 1.00 50.13 H new ATOM 0 HD12 LEU A 64 3.146 -0.805 4.012 1.00 50.13 H new ATOM 0 HD13 LEU A 64 3.995 -1.070 2.470 1.00 50.13 H new ATOM 0 HD21 LEU A 64 1.948 0.580 0.764 1.00 44.24 H new ATOM 0 HD22 LEU A 64 2.529 -1.016 0.234 1.00 44.24 H new ATOM 0 HD23 LEU A 64 0.783 -0.717 0.407 1.00 44.24 H new ATOM 1088 N LEU A 65 -0.906 -3.053 4.486 1.00 21.24 N ATOM 1089 CA LEU A 65 -2.151 -2.605 5.158 1.00 24.12 C ATOM 1090 C LEU A 65 -2.096 -2.828 6.696 1.00 11.23 C ATOM 1091 O LEU A 65 -2.858 -2.211 7.451 1.00 60.53 O ATOM 1092 CB LEU A 65 -3.354 -3.351 4.535 1.00 23.22 C ATOM 1093 CG LEU A 65 -3.449 -3.264 2.979 1.00 2.50 C ATOM 1094 CD1 LEU A 65 -4.632 -4.082 2.451 1.00 25.31 C ATOM 1095 CD2 LEU A 65 -3.518 -1.796 2.502 1.00 54.24 C ATOM 0 H LEU A 65 -1.026 -3.899 3.928 1.00 21.24 H new ATOM 0 HA LEU A 65 -2.263 -1.532 5.004 1.00 24.12 H new ATOM 0 HB2 LEU A 65 -3.300 -4.401 4.823 1.00 23.22 H new ATOM 0 HB3 LEU A 65 -4.273 -2.950 4.963 1.00 23.22 H new ATOM 0 HG LEU A 65 -2.539 -3.698 2.566 1.00 2.50 H new ATOM 0 HD11 LEU A 65 -4.673 -4.003 1.365 1.00 25.31 H new ATOM 0 HD12 LEU A 65 -4.507 -5.127 2.734 1.00 25.31 H new ATOM 0 HD13 LEU A 65 -5.559 -3.699 2.878 1.00 25.31 H new ATOM 0 HD21 LEU A 65 -3.583 -1.770 1.414 1.00 54.24 H new ATOM 0 HD22 LEU A 65 -4.398 -1.315 2.930 1.00 54.24 H new ATOM 0 HD23 LEU A 65 -2.622 -1.266 2.825 1.00 54.24 H new ATOM 1107 N ASN A 66 -1.185 -3.713 7.139 1.00 72.54 N ATOM 1108 CA ASN A 66 -0.933 -3.988 8.576 1.00 22.00 C ATOM 1109 C ASN A 66 0.024 -2.940 9.200 1.00 2.20 C ATOM 1110 O ASN A 66 0.174 -2.879 10.426 1.00 73.00 O ATOM 1111 CB ASN A 66 -0.334 -5.410 8.740 1.00 64.22 C ATOM 1112 CG ASN A 66 -1.222 -6.509 8.153 1.00 62.31 C ATOM 1113 OD1 ASN A 66 -2.442 -6.397 8.129 1.00 42.23 O ATOM 1114 ND2 ASN A 66 -0.617 -7.577 7.672 1.00 44.45 N ATOM 0 H ASN A 66 -0.597 -4.263 6.512 1.00 72.54 H new ATOM 0 HA ASN A 66 -1.886 -3.925 9.102 1.00 22.00 H new ATOM 0 HB2 ASN A 66 0.642 -5.444 8.257 1.00 64.22 H new ATOM 0 HB3 ASN A 66 -0.173 -5.609 9.799 1.00 64.22 H new ATOM 0 HD21 ASN A 66 -1.166 -8.335 7.267 1.00 44.45 H new ATOM 0 HD22 ASN A 66 0.400 -7.645 7.704 1.00 44.45 H new ATOM 1121 N GLU A 67 0.661 -2.111 8.348 1.00 14.30 N ATOM 1122 CA GLU A 67 1.672 -1.124 8.785 1.00 44.51 C ATOM 1123 C GLU A 67 1.028 0.195 9.270 1.00 75.40 C ATOM 1124 O GLU A 67 -0.164 0.454 9.049 1.00 64.32 O ATOM 1125 CB GLU A 67 2.697 -0.856 7.647 1.00 44.23 C ATOM 1126 CG GLU A 67 3.363 -2.124 7.078 1.00 34.45 C ATOM 1127 CD GLU A 67 4.038 -3.005 8.147 1.00 52.21 C ATOM 1128 OE1 GLU A 67 5.124 -2.624 8.647 1.00 52.30 O ATOM 1129 OE2 GLU A 67 3.498 -4.076 8.490 1.00 71.44 O ATOM 0 H GLU A 67 0.491 -2.106 7.342 1.00 14.30 H new ATOM 0 HA GLU A 67 2.199 -1.552 9.638 1.00 44.51 H new ATOM 0 HB2 GLU A 67 2.192 -0.331 6.836 1.00 44.23 H new ATOM 0 HB3 GLU A 67 3.474 -0.190 8.023 1.00 44.23 H new ATOM 0 HG2 GLU A 67 2.611 -2.715 6.556 1.00 34.45 H new ATOM 0 HG3 GLU A 67 4.108 -1.831 6.338 1.00 34.45 H new ATOM 1136 N LEU A 68 1.857 1.028 9.908 1.00 42.05 N ATOM 1137 CA LEU A 68 1.418 2.265 10.585 1.00 15.30 C ATOM 1138 C LEU A 68 1.236 3.419 9.572 1.00 4.32 C ATOM 1139 O LEU A 68 2.145 3.682 8.804 1.00 45.20 O ATOM 1140 CB LEU A 68 2.471 2.643 11.656 1.00 5.24 C ATOM 1141 CG LEU A 68 2.852 1.519 12.675 1.00 1.22 C ATOM 1142 CD1 LEU A 68 3.971 1.979 13.638 1.00 63.31 C ATOM 1143 CD2 LEU A 68 1.604 1.028 13.444 1.00 63.33 C ATOM 0 H LEU A 68 2.862 0.866 9.973 1.00 42.05 H new ATOM 0 HA LEU A 68 0.452 2.093 11.059 1.00 15.30 H new ATOM 0 HB2 LEU A 68 3.379 2.965 11.146 1.00 5.24 H new ATOM 0 HB3 LEU A 68 2.098 3.501 12.215 1.00 5.24 H new ATOM 0 HG LEU A 68 3.247 0.676 12.109 1.00 1.22 H new ATOM 0 HD11 LEU A 68 4.209 1.172 14.331 1.00 63.31 H new ATOM 0 HD12 LEU A 68 4.861 2.239 13.064 1.00 63.31 H new ATOM 0 HD13 LEU A 68 3.633 2.851 14.198 1.00 63.31 H new ATOM 0 HD21 LEU A 68 1.894 0.247 14.147 1.00 63.33 H new ATOM 0 HD22 LEU A 68 1.162 1.861 13.990 1.00 63.33 H new ATOM 0 HD23 LEU A 68 0.875 0.629 12.738 1.00 63.33 H new ATOM 1155 N ASP A 69 0.063 4.084 9.599 1.00 14.12 N ATOM 1156 CA ASP A 69 -0.322 5.171 8.639 1.00 62.14 C ATOM 1157 C ASP A 69 0.806 6.189 8.323 1.00 64.43 C ATOM 1158 O ASP A 69 1.246 6.281 7.168 1.00 75.24 O ATOM 1159 CB ASP A 69 -1.557 5.928 9.174 1.00 4.11 C ATOM 1160 CG ASP A 69 -2.835 5.108 9.064 1.00 30.33 C ATOM 1161 OD1 ASP A 69 -3.039 4.183 9.879 1.00 3.30 O ATOM 1162 OD2 ASP A 69 -3.634 5.378 8.152 1.00 51.41 O ATOM 0 H ASP A 69 -0.661 3.889 10.291 1.00 14.12 H new ATOM 0 HA ASP A 69 -0.542 4.665 7.699 1.00 62.14 H new ATOM 0 HB2 ASP A 69 -1.390 6.198 10.217 1.00 4.11 H new ATOM 0 HB3 ASP A 69 -1.677 6.859 8.620 1.00 4.11 H new ATOM 1167 N TRP A 70 1.264 6.942 9.346 1.00 24.20 N ATOM 1168 CA TRP A 70 2.327 7.967 9.169 1.00 74.24 C ATOM 1169 C TRP A 70 3.631 7.351 8.629 1.00 32.25 C ATOM 1170 O TRP A 70 4.298 7.958 7.796 1.00 24.32 O ATOM 1171 CB TRP A 70 2.608 8.740 10.484 1.00 42.34 C ATOM 1172 CG TRP A 70 1.519 9.720 10.860 1.00 2.53 C ATOM 1173 CD1 TRP A 70 0.591 9.605 11.858 1.00 0.13 C ATOM 1174 CD2 TRP A 70 1.255 10.975 10.212 1.00 63.24 C ATOM 1175 NE1 TRP A 70 -0.223 10.709 11.873 1.00 2.43 N ATOM 1176 CE2 TRP A 70 0.165 11.563 10.873 1.00 54.32 C ATOM 1177 CE3 TRP A 70 1.844 11.654 9.135 1.00 4.34 C ATOM 1178 CZ2 TRP A 70 -0.353 12.799 10.496 1.00 54.31 C ATOM 1179 CZ3 TRP A 70 1.328 12.877 8.760 1.00 2.12 C ATOM 1180 CH2 TRP A 70 0.240 13.439 9.440 1.00 55.12 C ATOM 0 H TRP A 70 0.918 6.863 10.302 1.00 24.20 H new ATOM 0 HA TRP A 70 1.952 8.675 8.430 1.00 74.24 H new ATOM 0 HB2 TRP A 70 2.735 8.024 11.296 1.00 42.34 H new ATOM 0 HB3 TRP A 70 3.550 9.279 10.384 1.00 42.34 H new ATOM 0 HD1 TRP A 70 0.511 8.768 12.535 1.00 0.13 H new ATOM 0 HE1 TRP A 70 -0.993 10.869 12.523 1.00 2.43 H new ATOM 0 HE3 TRP A 70 2.685 11.227 8.609 1.00 4.34 H new ATOM 0 HZ2 TRP A 70 -1.192 13.237 11.017 1.00 54.31 H new ATOM 0 HZ3 TRP A 70 1.769 13.409 7.930 1.00 2.12 H new ATOM 0 HH2 TRP A 70 -0.140 14.399 9.124 1.00 55.12 H new ATOM 1191 N ASP A 71 3.957 6.126 9.081 1.00 14.30 N ATOM 1192 CA ASP A 71 5.173 5.411 8.650 1.00 1.12 C ATOM 1193 C ASP A 71 5.107 5.056 7.146 1.00 22.51 C ATOM 1194 O ASP A 71 6.057 5.308 6.424 1.00 5.31 O ATOM 1195 CB ASP A 71 5.390 4.155 9.526 1.00 62.34 C ATOM 1196 CG ASP A 71 5.714 4.514 10.988 1.00 11.33 C ATOM 1197 OD1 ASP A 71 4.814 4.992 11.708 1.00 4.05 O ATOM 1198 OD2 ASP A 71 6.878 4.359 11.420 1.00 3.50 O ATOM 0 H ASP A 71 3.389 5.607 9.751 1.00 14.30 H new ATOM 0 HA ASP A 71 6.032 6.069 8.784 1.00 1.12 H new ATOM 0 HB2 ASP A 71 4.495 3.534 9.496 1.00 62.34 H new ATOM 0 HB3 ASP A 71 6.204 3.561 9.111 1.00 62.34 H new ATOM 1203 N ILE A 72 3.952 4.523 6.690 1.00 11.24 N ATOM 1204 CA ILE A 72 3.689 4.219 5.252 1.00 50.13 C ATOM 1205 C ILE A 72 3.868 5.489 4.393 1.00 30.22 C ATOM 1206 O ILE A 72 4.517 5.459 3.344 1.00 70.44 O ATOM 1207 CB ILE A 72 2.224 3.661 5.035 1.00 14.13 C ATOM 1208 CG1 ILE A 72 1.975 2.367 5.868 1.00 23.34 C ATOM 1209 CG2 ILE A 72 1.921 3.410 3.530 1.00 24.55 C ATOM 1210 CD1 ILE A 72 0.531 1.868 5.861 1.00 3.14 C ATOM 0 H ILE A 72 3.171 4.289 7.303 1.00 11.24 H new ATOM 0 HA ILE A 72 4.406 3.457 4.947 1.00 50.13 H new ATOM 0 HB ILE A 72 1.537 4.429 5.391 1.00 14.13 H new ATOM 0 HG12 ILE A 72 2.620 1.576 5.485 1.00 23.34 H new ATOM 0 HG13 ILE A 72 2.276 2.552 6.899 1.00 23.34 H new ATOM 0 HG21 ILE A 72 0.906 3.027 3.422 1.00 24.55 H new ATOM 0 HG22 ILE A 72 2.017 4.345 2.979 1.00 24.55 H new ATOM 0 HG23 ILE A 72 2.628 2.681 3.133 1.00 24.55 H new ATOM 0 HD11 ILE A 72 0.455 0.965 6.466 1.00 3.14 H new ATOM 0 HD12 ILE A 72 -0.122 2.637 6.274 1.00 3.14 H new ATOM 0 HD13 ILE A 72 0.228 1.646 4.838 1.00 3.14 H new ATOM 1222 N TYR A 73 3.295 6.598 4.891 1.00 15.35 N ATOM 1223 CA TYR A 73 3.331 7.907 4.220 1.00 64.03 C ATOM 1224 C TYR A 73 4.779 8.442 4.093 1.00 31.25 C ATOM 1225 O TYR A 73 5.166 8.940 3.040 1.00 3.24 O ATOM 1226 CB TYR A 73 2.424 8.910 4.987 1.00 24.35 C ATOM 1227 CG TYR A 73 2.358 10.306 4.353 1.00 41.24 C ATOM 1228 CD1 TYR A 73 1.699 10.509 3.137 1.00 73.45 C ATOM 1229 CD2 TYR A 73 2.986 11.407 4.946 1.00 51.15 C ATOM 1230 CE1 TYR A 73 1.661 11.756 2.543 1.00 74.23 C ATOM 1231 CE2 TYR A 73 2.957 12.653 4.352 1.00 31.43 C ATOM 1232 CZ TYR A 73 2.296 12.825 3.152 1.00 2.23 C ATOM 1233 OH TYR A 73 2.279 14.069 2.556 1.00 0.11 O ATOM 0 H TYR A 73 2.790 6.610 5.777 1.00 15.35 H new ATOM 0 HA TYR A 73 2.949 7.789 3.206 1.00 64.03 H new ATOM 0 HB2 TYR A 73 1.415 8.501 5.044 1.00 24.35 H new ATOM 0 HB3 TYR A 73 2.789 9.004 6.010 1.00 24.35 H new ATOM 0 HD1 TYR A 73 1.211 9.676 2.653 1.00 73.45 H new ATOM 0 HD2 TYR A 73 3.503 11.280 5.886 1.00 51.15 H new ATOM 0 HE1 TYR A 73 1.139 11.896 1.608 1.00 74.23 H new ATOM 0 HE2 TYR A 73 3.450 13.490 4.824 1.00 31.43 H new ATOM 0 HH TYR A 73 2.770 14.706 3.115 1.00 0.11 H new ATOM 1243 N TYR A 74 5.574 8.305 5.169 1.00 41.32 N ATOM 1244 CA TYR A 74 6.961 8.823 5.208 1.00 40.01 C ATOM 1245 C TYR A 74 7.930 7.954 4.380 1.00 14.30 C ATOM 1246 O TYR A 74 8.833 8.481 3.741 1.00 53.01 O ATOM 1247 CB TYR A 74 7.462 8.959 6.663 1.00 51.55 C ATOM 1248 CG TYR A 74 6.749 10.045 7.493 1.00 52.13 C ATOM 1249 CD1 TYR A 74 6.381 11.269 6.928 1.00 54.21 C ATOM 1250 CD2 TYR A 74 6.462 9.851 8.845 1.00 21.53 C ATOM 1251 CE1 TYR A 74 5.749 12.244 7.677 1.00 53.21 C ATOM 1252 CE2 TYR A 74 5.830 10.820 9.596 1.00 35.55 C ATOM 1253 CZ TYR A 74 5.478 12.017 9.008 1.00 44.40 C ATOM 1254 OH TYR A 74 4.842 12.988 9.749 1.00 31.11 O ATOM 0 H TYR A 74 5.282 7.839 6.028 1.00 41.32 H new ATOM 0 HA TYR A 74 6.942 9.813 4.753 1.00 40.01 H new ATOM 0 HB2 TYR A 74 7.341 7.999 7.165 1.00 51.55 H new ATOM 0 HB3 TYR A 74 8.530 9.177 6.646 1.00 51.55 H new ATOM 0 HD1 TYR A 74 6.594 11.457 5.886 1.00 54.21 H new ATOM 0 HD2 TYR A 74 6.742 8.919 9.315 1.00 21.53 H new ATOM 0 HE1 TYR A 74 5.469 13.181 7.220 1.00 53.21 H new ATOM 0 HE2 TYR A 74 5.612 10.642 10.639 1.00 35.55 H new ATOM 0 HH TYR A 74 3.875 12.828 9.737 1.00 31.11 H new ATOM 1264 N TRP A 75 7.739 6.623 4.393 1.00 2.13 N ATOM 1265 CA TRP A 75 8.510 5.706 3.522 1.00 44.03 C ATOM 1266 C TRP A 75 8.217 6.019 2.032 1.00 31.54 C ATOM 1267 O TRP A 75 9.120 6.019 1.194 1.00 23.32 O ATOM 1268 CB TRP A 75 8.184 4.214 3.826 1.00 34.23 C ATOM 1269 CG TRP A 75 8.424 3.757 5.253 1.00 42.14 C ATOM 1270 CD1 TRP A 75 9.347 4.236 6.146 1.00 33.34 C ATOM 1271 CD2 TRP A 75 7.722 2.702 5.938 1.00 32.53 C ATOM 1272 NE1 TRP A 75 9.241 3.567 7.339 1.00 1.52 N ATOM 1273 CE2 TRP A 75 8.253 2.622 7.237 1.00 55.14 C ATOM 1274 CE3 TRP A 75 6.684 1.831 5.577 1.00 25.05 C ATOM 1275 CZ2 TRP A 75 7.789 1.705 8.178 1.00 13.31 C ATOM 1276 CZ3 TRP A 75 6.224 0.918 6.509 1.00 53.45 C ATOM 1277 CH2 TRP A 75 6.775 0.863 7.799 1.00 3.01 C ATOM 0 H TRP A 75 7.060 6.155 4.994 1.00 2.13 H new ATOM 0 HA TRP A 75 9.569 5.864 3.727 1.00 44.03 H new ATOM 0 HB2 TRP A 75 7.138 4.034 3.579 1.00 34.23 H new ATOM 0 HB3 TRP A 75 8.780 3.590 3.161 1.00 34.23 H new ATOM 0 HD1 TRP A 75 10.055 5.025 5.940 1.00 33.34 H new ATOM 0 HE1 TRP A 75 9.807 3.744 8.169 1.00 1.52 H new ATOM 0 HE3 TRP A 75 6.251 1.872 4.588 1.00 25.05 H new ATOM 0 HZ2 TRP A 75 8.213 1.659 9.170 1.00 13.31 H new ATOM 0 HZ3 TRP A 75 5.429 0.238 6.240 1.00 53.45 H new ATOM 0 HH2 TRP A 75 6.393 0.143 8.507 1.00 3.01 H new ATOM 1288 N ALA A 76 6.936 6.315 1.741 1.00 55.14 N ATOM 1289 CA ALA A 76 6.452 6.666 0.387 1.00 1.41 C ATOM 1290 C ALA A 76 6.964 8.047 -0.100 1.00 63.34 C ATOM 1291 O ALA A 76 7.185 8.243 -1.295 1.00 61.24 O ATOM 1292 CB ALA A 76 4.922 6.633 0.367 1.00 33.15 C ATOM 0 H ALA A 76 6.198 6.318 2.445 1.00 55.14 H new ATOM 0 HA ALA A 76 6.854 5.924 -0.303 1.00 1.41 H new ATOM 0 HB1 ALA A 76 4.565 6.892 -0.630 1.00 33.15 H new ATOM 0 HB2 ALA A 76 4.576 5.633 0.628 1.00 33.15 H new ATOM 0 HB3 ALA A 76 4.533 7.351 1.089 1.00 33.15 H new ATOM 1298 N THR A 77 7.132 9.007 0.831 1.00 51.32 N ATOM 1299 CA THR A 77 7.662 10.366 0.510 1.00 30.40 C ATOM 1300 C THR A 77 9.199 10.453 0.709 1.00 32.33 C ATOM 1301 O THR A 77 9.779 11.540 0.596 1.00 73.11 O ATOM 1302 CB THR A 77 6.962 11.470 1.376 1.00 73.22 C ATOM 1303 OG1 THR A 77 7.177 11.212 2.778 1.00 3.24 O ATOM 1304 CG2 THR A 77 5.449 11.554 1.087 1.00 4.34 C ATOM 0 H THR A 77 6.910 8.875 1.818 1.00 51.32 H new ATOM 0 HA THR A 77 7.440 10.542 -0.543 1.00 30.40 H new ATOM 0 HB THR A 77 7.407 12.428 1.107 1.00 73.22 H new ATOM 0 HG1 THR A 77 6.737 11.908 3.310 1.00 3.24 H new ATOM 0 HG21 THR A 77 5.003 12.331 1.708 1.00 4.34 H new ATOM 0 HG22 THR A 77 5.292 11.795 0.036 1.00 4.34 H new ATOM 0 HG23 THR A 77 4.982 10.596 1.313 1.00 4.34 H new ATOM 1312 N LYS A 78 9.834 9.293 1.016 1.00 71.33 N ATOM 1313 CA LYS A 78 11.294 9.159 1.270 1.00 10.42 C ATOM 1314 C LYS A 78 11.745 9.918 2.568 1.00 2.12 C ATOM 1315 O LYS A 78 12.939 10.079 2.837 1.00 62.32 O ATOM 1316 CB LYS A 78 12.130 9.598 0.015 1.00 54.42 C ATOM 1317 CG LYS A 78 13.624 9.195 0.059 1.00 2.55 C ATOM 1318 CD LYS A 78 14.461 9.810 -1.083 1.00 33.23 C ATOM 1319 CE LYS A 78 15.967 9.530 -0.918 1.00 42.32 C ATOM 1320 NZ LYS A 78 16.774 10.170 -1.986 1.00 75.31 N ATOM 0 H LYS A 78 9.336 8.406 1.096 1.00 71.33 H new ATOM 0 HA LYS A 78 11.494 8.102 1.447 1.00 10.42 H new ATOM 0 HB2 LYS A 78 11.677 9.164 -0.876 1.00 54.42 H new ATOM 0 HB3 LYS A 78 12.063 10.681 -0.088 1.00 54.42 H new ATOM 0 HG2 LYS A 78 14.047 9.502 1.015 1.00 2.55 H new ATOM 0 HG3 LYS A 78 13.701 8.109 0.011 1.00 2.55 H new ATOM 0 HD2 LYS A 78 14.121 9.408 -2.037 1.00 33.23 H new ATOM 0 HD3 LYS A 78 14.295 10.887 -1.114 1.00 33.23 H new ATOM 0 HE2 LYS A 78 16.299 9.895 0.054 1.00 42.32 H new ATOM 0 HE3 LYS A 78 16.139 8.454 -0.930 1.00 42.32 H new ATOM 0 HZ1 LYS A 78 17.781 9.956 -1.836 1.00 75.31 H new ATOM 0 HZ2 LYS A 78 16.476 9.804 -2.913 1.00 75.31 H new ATOM 0 HZ3 LYS A 78 16.631 11.200 -1.959 1.00 75.31 H new ATOM 1334 N ASN A 79 10.772 10.340 3.397 1.00 33.21 N ATOM 1335 CA ASN A 79 11.028 11.028 4.682 1.00 25.23 C ATOM 1336 C ASN A 79 11.360 9.990 5.797 1.00 45.45 C ATOM 1337 O ASN A 79 10.621 9.827 6.781 1.00 50.11 O ATOM 1338 CB ASN A 79 9.793 11.913 5.035 1.00 14.41 C ATOM 1339 CG ASN A 79 10.034 12.853 6.222 1.00 12.43 C ATOM 1340 OD1 ASN A 79 10.531 13.959 6.059 1.00 41.42 O ATOM 1341 ND2 ASN A 79 9.676 12.425 7.421 1.00 15.42 N ATOM 0 H ASN A 79 9.780 10.214 3.196 1.00 33.21 H new ATOM 0 HA ASN A 79 11.898 11.680 4.597 1.00 25.23 H new ATOM 0 HB2 ASN A 79 9.519 12.506 4.162 1.00 14.41 H new ATOM 0 HB3 ASN A 79 8.945 11.266 5.260 1.00 14.41 H new ATOM 0 HD21 ASN A 79 9.812 13.022 8.237 1.00 15.42 H new ATOM 0 HD22 ASN A 79 9.264 11.498 7.530 1.00 15.42 H new ATOM 1348 N PHE A 80 12.498 9.285 5.623 1.00 62.44 N ATOM 1349 CA PHE A 80 12.956 8.223 6.556 1.00 41.33 C ATOM 1350 C PHE A 80 13.525 8.804 7.875 1.00 21.52 C ATOM 1351 O PHE A 80 13.739 8.064 8.842 1.00 52.35 O ATOM 1352 CB PHE A 80 14.019 7.321 5.869 1.00 60.53 C ATOM 1353 CG PHE A 80 13.502 6.565 4.640 1.00 70.11 C ATOM 1354 CD1 PHE A 80 12.542 5.563 4.777 1.00 45.21 C ATOM 1355 CD2 PHE A 80 13.983 6.839 3.357 1.00 24.31 C ATOM 1356 CE1 PHE A 80 12.074 4.871 3.674 1.00 74.11 C ATOM 1357 CE2 PHE A 80 13.511 6.145 2.256 1.00 1.11 C ATOM 1358 CZ PHE A 80 12.559 5.159 2.418 1.00 31.11 C ATOM 0 H PHE A 80 13.127 9.433 4.834 1.00 62.44 H new ATOM 0 HA PHE A 80 12.082 7.624 6.813 1.00 41.33 H new ATOM 0 HB2 PHE A 80 14.866 7.939 5.572 1.00 60.53 H new ATOM 0 HB3 PHE A 80 14.391 6.599 6.596 1.00 60.53 H new ATOM 0 HD1 PHE A 80 12.158 5.324 5.758 1.00 45.21 H new ATOM 0 HD2 PHE A 80 14.734 7.603 3.222 1.00 24.31 H new ATOM 0 HE1 PHE A 80 11.326 4.102 3.799 1.00 74.11 H new ATOM 0 HE2 PHE A 80 13.888 6.375 1.270 1.00 1.11 H new ATOM 0 HZ PHE A 80 12.195 4.614 1.560 1.00 31.11 H new ATOM 1368 N LYS A 81 13.762 10.129 7.889 1.00 71.03 N ATOM 1369 CA LYS A 81 14.280 10.864 9.064 1.00 55.40 C ATOM 1370 C LYS A 81 13.330 10.755 10.291 1.00 50.50 C ATOM 1371 O LYS A 81 13.792 10.663 11.429 1.00 40.43 O ATOM 1372 CB LYS A 81 14.518 12.356 8.685 1.00 34.42 C ATOM 1373 CG LYS A 81 13.241 13.136 8.268 1.00 14.14 C ATOM 1374 CD LYS A 81 13.527 14.582 7.794 1.00 41.10 C ATOM 1375 CE LYS A 81 14.325 14.633 6.476 1.00 32.13 C ATOM 1376 NZ LYS A 81 14.558 16.026 6.009 1.00 13.55 N ATOM 0 H LYS A 81 13.599 10.727 7.079 1.00 71.03 H new ATOM 0 HA LYS A 81 15.226 10.406 9.355 1.00 55.40 H new ATOM 0 HB2 LYS A 81 14.975 12.863 9.535 1.00 34.42 H new ATOM 0 HB3 LYS A 81 15.236 12.398 7.866 1.00 34.42 H new ATOM 0 HG2 LYS A 81 12.738 12.593 7.468 1.00 14.14 H new ATOM 0 HG3 LYS A 81 12.553 13.169 9.113 1.00 14.14 H new ATOM 0 HD2 LYS A 81 12.582 15.109 7.662 1.00 41.10 H new ATOM 0 HD3 LYS A 81 14.081 15.111 8.570 1.00 41.10 H new ATOM 0 HE2 LYS A 81 15.284 14.134 6.615 1.00 32.13 H new ATOM 0 HE3 LYS A 81 13.787 14.080 5.707 1.00 32.13 H new ATOM 0 HZ1 LYS A 81 15.098 16.008 5.120 1.00 13.55 H new ATOM 0 HZ2 LYS A 81 13.644 16.496 5.850 1.00 13.55 H new ATOM 0 HZ3 LYS A 81 15.095 16.549 6.730 1.00 13.55 H new ATOM 1390 N THR A 82 12.006 10.761 10.038 1.00 23.42 N ATOM 1391 CA THR A 82 10.973 10.659 11.097 1.00 71.11 C ATOM 1392 C THR A 82 10.600 9.181 11.345 1.00 53.34 C ATOM 1393 O THR A 82 10.593 8.708 12.488 1.00 53.41 O ATOM 1394 CB THR A 82 9.689 11.467 10.711 1.00 42.52 C ATOM 1395 OG1 THR A 82 10.055 12.810 10.345 1.00 4.14 O ATOM 1396 CG2 THR A 82 8.650 11.510 11.852 1.00 71.11 C ATOM 0 H THR A 82 11.620 10.836 9.097 1.00 23.42 H new ATOM 0 HA THR A 82 11.390 11.084 12.010 1.00 71.11 H new ATOM 0 HB THR A 82 9.226 10.954 9.868 1.00 42.52 H new ATOM 0 HG1 THR A 82 9.247 13.357 10.257 1.00 4.14 H new ATOM 0 HG21 THR A 82 7.780 12.083 11.531 1.00 71.11 H new ATOM 0 HG22 THR A 82 8.343 10.495 12.103 1.00 71.11 H new ATOM 0 HG23 THR A 82 9.092 11.983 12.729 1.00 71.11 H new ATOM 1404 N SER A 83 10.286 8.465 10.248 1.00 14.12 N ATOM 1405 CA SER A 83 9.934 7.025 10.282 1.00 15.12 C ATOM 1406 C SER A 83 11.035 6.171 9.617 1.00 23.41 C ATOM 1407 O SER A 83 11.161 6.182 8.386 1.00 13.23 O ATOM 1408 CB SER A 83 8.573 6.785 9.594 1.00 3.14 C ATOM 1409 OG SER A 83 7.510 7.278 10.388 1.00 73.42 O ATOM 0 H SER A 83 10.268 8.866 9.310 1.00 14.12 H new ATOM 0 HA SER A 83 9.854 6.720 11.326 1.00 15.12 H new ATOM 0 HB2 SER A 83 8.562 7.275 8.620 1.00 3.14 H new ATOM 0 HB3 SER A 83 8.434 5.719 9.416 1.00 3.14 H new ATOM 0 HG SER A 83 7.773 8.131 10.793 1.00 73.42 H new ATOM 1415 N PRO A 84 11.861 5.422 10.423 1.00 71.21 N ATOM 1416 CA PRO A 84 12.952 4.572 9.879 1.00 45.41 C ATOM 1417 C PRO A 84 12.408 3.356 9.086 1.00 64.31 C ATOM 1418 O PRO A 84 11.335 2.817 9.402 1.00 34.12 O ATOM 1419 CB PRO A 84 13.727 4.136 11.148 1.00 10.21 C ATOM 1420 CG PRO A 84 12.705 4.175 12.245 1.00 43.44 C ATOM 1421 CD PRO A 84 11.796 5.341 11.913 1.00 22.33 C ATOM 0 HA PRO A 84 13.577 5.100 9.159 1.00 45.41 H new ATOM 0 HB2 PRO A 84 14.147 3.137 11.033 1.00 10.21 H new ATOM 0 HB3 PRO A 84 14.558 4.809 11.356 1.00 10.21 H new ATOM 0 HG2 PRO A 84 12.144 3.242 12.292 1.00 43.44 H new ATOM 0 HG3 PRO A 84 13.178 4.311 13.217 1.00 43.44 H new ATOM 0 HD2 PRO A 84 10.778 5.168 12.261 1.00 22.33 H new ATOM 0 HD3 PRO A 84 12.140 6.264 12.380 1.00 22.33 H new ATOM 1429 N LEU A 85 13.150 2.943 8.047 1.00 13.51 N ATOM 1430 CA LEU A 85 12.754 1.826 7.173 1.00 24.44 C ATOM 1431 C LEU A 85 13.144 0.458 7.804 1.00 25.23 C ATOM 1432 O LEU A 85 14.326 0.246 8.097 1.00 50.34 O ATOM 1433 CB LEU A 85 13.420 1.994 5.782 1.00 13.55 C ATOM 1434 CG LEU A 85 12.939 1.006 4.678 1.00 72.13 C ATOM 1435 CD1 LEU A 85 11.420 1.156 4.430 1.00 5.42 C ATOM 1436 CD2 LEU A 85 13.744 1.184 3.372 1.00 51.22 C ATOM 0 H LEU A 85 14.039 3.372 7.789 1.00 13.51 H new ATOM 0 HA LEU A 85 11.670 1.840 7.056 1.00 24.44 H new ATOM 0 HB2 LEU A 85 13.242 3.012 5.435 1.00 13.55 H new ATOM 0 HB3 LEU A 85 14.498 1.881 5.900 1.00 13.55 H new ATOM 0 HG LEU A 85 13.121 -0.008 5.034 1.00 72.13 H new ATOM 0 HD11 LEU A 85 11.107 0.456 3.655 1.00 5.42 H new ATOM 0 HD12 LEU A 85 10.878 0.943 5.352 1.00 5.42 H new ATOM 0 HD13 LEU A 85 11.203 2.174 4.108 1.00 5.42 H new ATOM 0 HD21 LEU A 85 13.383 0.479 2.623 1.00 51.22 H new ATOM 0 HD22 LEU A 85 13.618 2.202 3.003 1.00 51.22 H new ATOM 0 HD23 LEU A 85 14.800 0.996 3.567 1.00 51.22 H new ATOM 1448 N PRO A 86 12.159 -0.480 8.037 1.00 74.22 N ATOM 1449 CA PRO A 86 12.444 -1.853 8.538 1.00 73.21 C ATOM 1450 C PRO A 86 13.118 -2.755 7.471 1.00 22.03 C ATOM 1451 O PRO A 86 13.029 -2.480 6.272 1.00 23.21 O ATOM 1452 CB PRO A 86 11.034 -2.408 8.924 1.00 44.33 C ATOM 1453 CG PRO A 86 10.118 -1.221 8.897 1.00 30.15 C ATOM 1454 CD PRO A 86 10.701 -0.287 7.863 1.00 3.41 C ATOM 0 HA PRO A 86 13.149 -1.838 9.370 1.00 73.21 H new ATOM 0 HB2 PRO A 86 10.707 -3.173 8.220 1.00 44.33 H new ATOM 0 HB3 PRO A 86 11.050 -2.869 9.911 1.00 44.33 H new ATOM 0 HG2 PRO A 86 9.102 -1.515 8.633 1.00 30.15 H new ATOM 0 HG3 PRO A 86 10.067 -0.742 9.875 1.00 30.15 H new ATOM 0 HD2 PRO A 86 10.376 -0.545 6.855 1.00 3.41 H new ATOM 0 HD3 PRO A 86 10.405 0.747 8.039 1.00 3.41 H new ATOM 1462 N ASP A 87 13.763 -3.848 7.929 1.00 12.43 N ATOM 1463 CA ASP A 87 14.406 -4.853 7.047 1.00 74.12 C ATOM 1464 C ASP A 87 13.367 -5.584 6.156 1.00 44.14 C ATOM 1465 O ASP A 87 13.645 -5.919 5.000 1.00 74.13 O ATOM 1466 CB ASP A 87 15.201 -5.872 7.901 1.00 43.03 C ATOM 1467 CG ASP A 87 16.331 -5.204 8.701 1.00 22.23 C ATOM 1468 OD1 ASP A 87 16.068 -4.709 9.818 1.00 71.23 O ATOM 1469 OD2 ASP A 87 17.479 -5.148 8.204 1.00 22.00 O ATOM 0 H ASP A 87 13.855 -4.062 8.922 1.00 12.43 H new ATOM 0 HA ASP A 87 15.092 -4.328 6.382 1.00 74.12 H new ATOM 0 HB2 ASP A 87 14.521 -6.376 8.588 1.00 43.03 H new ATOM 0 HB3 ASP A 87 15.623 -6.638 7.250 1.00 43.03 H new ATOM 1474 N LYS A 88 12.158 -5.803 6.713 1.00 14.41 N ATOM 1475 CA LYS A 88 11.005 -6.389 5.973 1.00 32.13 C ATOM 1476 C LYS A 88 10.294 -5.370 5.021 1.00 0.44 C ATOM 1477 O LYS A 88 9.219 -5.670 4.492 1.00 34.13 O ATOM 1478 CB LYS A 88 10.016 -7.090 6.975 1.00 30.31 C ATOM 1479 CG LYS A 88 9.694 -6.323 8.295 1.00 51.10 C ATOM 1480 CD LYS A 88 8.723 -5.121 8.149 1.00 63.45 C ATOM 1481 CE LYS A 88 7.254 -5.512 7.881 1.00 74.13 C ATOM 1482 NZ LYS A 88 7.022 -6.028 6.504 1.00 55.10 N ATOM 0 H LYS A 88 11.947 -5.581 7.686 1.00 14.41 H new ATOM 0 HA LYS A 88 11.400 -7.153 5.303 1.00 32.13 H new ATOM 0 HB2 LYS A 88 9.078 -7.276 6.452 1.00 30.31 H new ATOM 0 HB3 LYS A 88 10.432 -8.062 7.239 1.00 30.31 H new ATOM 0 HG2 LYS A 88 9.268 -7.027 9.009 1.00 51.10 H new ATOM 0 HG3 LYS A 88 10.629 -5.962 8.723 1.00 51.10 H new ATOM 0 HD2 LYS A 88 8.766 -4.523 9.059 1.00 63.45 H new ATOM 0 HD3 LYS A 88 9.071 -4.486 7.334 1.00 63.45 H new ATOM 0 HE2 LYS A 88 6.951 -6.271 8.602 1.00 74.13 H new ATOM 0 HE3 LYS A 88 6.618 -4.643 8.047 1.00 74.13 H new ATOM 0 HZ1 LYS A 88 6.215 -5.530 6.078 1.00 55.10 H new ATOM 0 HZ2 LYS A 88 7.872 -5.868 5.926 1.00 55.10 H new ATOM 0 HZ3 LYS A 88 6.817 -7.047 6.545 1.00 55.10 H new ATOM 1496 N TRP A 89 10.893 -4.165 4.828 1.00 62.44 N ATOM 1497 CA TRP A 89 10.543 -3.227 3.715 1.00 52.11 C ATOM 1498 C TRP A 89 11.809 -2.628 3.049 1.00 35.00 C ATOM 1499 O TRP A 89 11.701 -1.781 2.149 1.00 13.45 O ATOM 1500 CB TRP A 89 9.610 -2.075 4.191 1.00 3.32 C ATOM 1501 CG TRP A 89 8.242 -2.528 4.627 1.00 32.32 C ATOM 1502 CD1 TRP A 89 7.693 -2.405 5.868 1.00 21.02 C ATOM 1503 CD2 TRP A 89 7.253 -3.194 3.815 1.00 13.52 C ATOM 1504 NE1 TRP A 89 6.448 -2.961 5.884 1.00 55.34 N ATOM 1505 CE2 TRP A 89 6.149 -3.445 4.640 1.00 13.40 C ATOM 1506 CE3 TRP A 89 7.199 -3.603 2.477 1.00 60.04 C ATOM 1507 CZ2 TRP A 89 5.002 -4.087 4.182 1.00 41.11 C ATOM 1508 CZ3 TRP A 89 6.062 -4.236 2.019 1.00 31.40 C ATOM 1509 CH2 TRP A 89 4.977 -4.475 2.871 1.00 70.13 C ATOM 0 H TRP A 89 11.632 -3.812 5.436 1.00 62.44 H new ATOM 0 HA TRP A 89 10.006 -3.822 2.977 1.00 52.11 H new ATOM 0 HB2 TRP A 89 10.089 -1.554 5.020 1.00 3.32 H new ATOM 0 HB3 TRP A 89 9.500 -1.353 3.381 1.00 3.32 H new ATOM 0 HD1 TRP A 89 8.173 -1.936 6.714 1.00 21.02 H new ATOM 0 HE1 TRP A 89 5.835 -3.009 6.698 1.00 55.34 H new ATOM 0 HE3 TRP A 89 8.033 -3.426 1.815 1.00 60.04 H new ATOM 0 HZ2 TRP A 89 4.164 -4.272 4.837 1.00 41.11 H new ATOM 0 HZ3 TRP A 89 6.008 -4.552 0.988 1.00 31.40 H new ATOM 0 HH2 TRP A 89 4.102 -4.976 2.485 1.00 70.13 H new ATOM 1520 N ALA A 90 13.004 -3.089 3.474 1.00 72.11 N ATOM 1521 CA ALA A 90 14.296 -2.569 2.973 1.00 53.10 C ATOM 1522 C ALA A 90 14.525 -2.952 1.491 1.00 24.31 C ATOM 1523 O ALA A 90 14.769 -4.127 1.175 1.00 15.11 O ATOM 1524 CB ALA A 90 15.446 -3.066 3.855 1.00 13.50 C ATOM 0 H ALA A 90 13.102 -3.828 4.170 1.00 72.11 H new ATOM 0 HA ALA A 90 14.266 -1.481 3.024 1.00 53.10 H new ATOM 0 HB1 ALA A 90 16.390 -2.676 3.475 1.00 13.50 H new ATOM 0 HB2 ALA A 90 15.296 -2.720 4.878 1.00 13.50 H new ATOM 0 HB3 ALA A 90 15.471 -4.156 3.840 1.00 13.50 H new ATOM 1530 N ASN A 91 14.399 -1.938 0.600 1.00 33.32 N ATOM 1531 CA ASN A 91 14.530 -2.087 -0.875 1.00 70.24 C ATOM 1532 C ASN A 91 13.446 -3.032 -1.475 1.00 4.13 C ATOM 1533 O ASN A 91 13.647 -3.623 -2.544 1.00 53.50 O ATOM 1534 CB ASN A 91 15.971 -2.552 -1.266 1.00 74.04 C ATOM 1535 CG ASN A 91 17.059 -1.561 -0.834 1.00 40.13 C ATOM 1536 OD1 ASN A 91 16.847 -0.352 -0.812 1.00 74.34 O ATOM 1537 ND2 ASN A 91 18.228 -2.060 -0.475 1.00 24.14 N ATOM 0 H ASN A 91 14.201 -0.980 0.887 1.00 33.32 H new ATOM 0 HA ASN A 91 14.361 -1.102 -1.311 1.00 70.24 H new ATOM 0 HB2 ASN A 91 16.170 -3.522 -0.811 1.00 74.04 H new ATOM 0 HB3 ASN A 91 16.022 -2.690 -2.346 1.00 74.04 H new ATOM 0 HD21 ASN A 91 18.977 -1.437 -0.172 1.00 24.14 H new ATOM 0 HD22 ASN A 91 18.382 -3.068 -0.501 1.00 24.14 H new ATOM 1544 N SER A 92 12.289 -3.140 -0.785 1.00 1.34 N ATOM 1545 CA SER A 92 11.145 -3.958 -1.263 1.00 62.41 C ATOM 1546 C SER A 92 10.530 -3.357 -2.550 1.00 53.41 C ATOM 1547 O SER A 92 10.410 -2.134 -2.683 1.00 2.21 O ATOM 1548 CB SER A 92 10.057 -4.101 -0.175 1.00 73.20 C ATOM 1549 OG SER A 92 9.482 -2.850 0.166 1.00 71.01 O ATOM 0 H SER A 92 12.120 -2.672 0.105 1.00 1.34 H new ATOM 0 HA SER A 92 11.533 -4.951 -1.491 1.00 62.41 H new ATOM 0 HB2 SER A 92 9.277 -4.775 -0.528 1.00 73.20 H new ATOM 0 HB3 SER A 92 10.492 -4.556 0.715 1.00 73.20 H new ATOM 0 HG SER A 92 10.068 -2.381 0.796 1.00 71.01 H new ATOM 1555 N LYS A 93 10.147 -4.242 -3.486 1.00 40.15 N ATOM 1556 CA LYS A 93 9.622 -3.873 -4.823 1.00 1.11 C ATOM 1557 C LYS A 93 8.324 -3.028 -4.712 1.00 50.25 C ATOM 1558 O LYS A 93 8.151 -2.037 -5.436 1.00 24.44 O ATOM 1559 CB LYS A 93 9.408 -5.193 -5.632 1.00 62.33 C ATOM 1560 CG LYS A 93 9.083 -5.046 -7.144 1.00 32.32 C ATOM 1561 CD LYS A 93 7.579 -4.860 -7.451 1.00 3.53 C ATOM 1562 CE LYS A 93 7.304 -4.770 -8.958 1.00 43.55 C ATOM 1563 NZ LYS A 93 7.741 -5.988 -9.694 1.00 72.11 N ATOM 0 H LYS A 93 10.192 -5.250 -3.338 1.00 40.15 H new ATOM 0 HA LYS A 93 10.336 -3.239 -5.349 1.00 1.11 H new ATOM 0 HB2 LYS A 93 10.309 -5.799 -5.536 1.00 62.33 H new ATOM 0 HB3 LYS A 93 8.597 -5.750 -5.163 1.00 62.33 H new ATOM 0 HG2 LYS A 93 9.632 -4.193 -7.541 1.00 32.32 H new ATOM 0 HG3 LYS A 93 9.444 -5.930 -7.670 1.00 32.32 H new ATOM 0 HD2 LYS A 93 7.018 -5.694 -7.030 1.00 3.53 H new ATOM 0 HD3 LYS A 93 7.219 -3.954 -6.963 1.00 3.53 H new ATOM 0 HE2 LYS A 93 6.237 -4.615 -9.120 1.00 43.55 H new ATOM 0 HE3 LYS A 93 7.818 -3.900 -9.366 1.00 43.55 H new ATOM 0 HZ1 LYS A 93 7.355 -5.967 -10.660 1.00 72.11 H new ATOM 0 HZ2 LYS A 93 8.780 -6.014 -9.736 1.00 72.11 H new ATOM 0 HZ3 LYS A 93 7.393 -6.835 -9.201 1.00 72.11 H new ATOM 1577 N LEU A 94 7.440 -3.438 -3.786 1.00 4.44 N ATOM 1578 CA LEU A 94 6.180 -2.720 -3.472 1.00 44.41 C ATOM 1579 C LEU A 94 6.440 -1.261 -3.024 1.00 70.35 C ATOM 1580 O LEU A 94 5.750 -0.333 -3.466 1.00 54.43 O ATOM 1581 CB LEU A 94 5.423 -3.462 -2.350 1.00 31.41 C ATOM 1582 CG LEU A 94 4.006 -2.915 -2.000 1.00 10.15 C ATOM 1583 CD1 LEU A 94 3.005 -3.166 -3.149 1.00 33.44 C ATOM 1584 CD2 LEU A 94 3.507 -3.497 -0.669 1.00 73.45 C ATOM 0 H LEU A 94 7.575 -4.281 -3.228 1.00 4.44 H new ATOM 0 HA LEU A 94 5.583 -2.695 -4.384 1.00 44.41 H new ATOM 0 HB2 LEU A 94 5.325 -4.509 -2.637 1.00 31.41 H new ATOM 0 HB3 LEU A 94 6.034 -3.434 -1.448 1.00 31.41 H new ATOM 0 HG LEU A 94 4.083 -1.835 -1.877 1.00 10.15 H new ATOM 0 HD11 LEU A 94 2.027 -2.772 -2.872 1.00 33.44 H new ATOM 0 HD12 LEU A 94 3.355 -2.666 -4.052 1.00 33.44 H new ATOM 0 HD13 LEU A 94 2.926 -4.237 -3.335 1.00 33.44 H new ATOM 0 HD21 LEU A 94 2.516 -3.100 -0.447 1.00 73.45 H new ATOM 0 HD22 LEU A 94 3.454 -4.583 -0.744 1.00 73.45 H new ATOM 0 HD23 LEU A 94 4.196 -3.221 0.130 1.00 73.45 H new ATOM 1596 N LEU A 95 7.438 -1.081 -2.131 1.00 14.41 N ATOM 1597 CA LEU A 95 7.829 0.251 -1.619 1.00 44.15 C ATOM 1598 C LEU A 95 8.331 1.162 -2.756 1.00 51.40 C ATOM 1599 O LEU A 95 7.962 2.326 -2.819 1.00 33.24 O ATOM 1600 CB LEU A 95 8.924 0.135 -0.531 1.00 50.01 C ATOM 1601 CG LEU A 95 9.424 1.487 0.070 1.00 41.52 C ATOM 1602 CD1 LEU A 95 8.297 2.215 0.834 1.00 73.21 C ATOM 1603 CD2 LEU A 95 10.682 1.290 0.941 1.00 43.31 C ATOM 0 H LEU A 95 7.991 -1.848 -1.748 1.00 14.41 H new ATOM 0 HA LEU A 95 6.938 0.696 -1.177 1.00 44.15 H new ATOM 0 HB2 LEU A 95 8.540 -0.483 0.281 1.00 50.01 H new ATOM 0 HB3 LEU A 95 9.779 -0.391 -0.956 1.00 50.01 H new ATOM 0 HG LEU A 95 9.713 2.130 -0.761 1.00 41.52 H new ATOM 0 HD11 LEU A 95 8.679 3.152 1.239 1.00 73.21 H new ATOM 0 HD12 LEU A 95 7.472 2.424 0.153 1.00 73.21 H new ATOM 0 HD13 LEU A 95 7.944 1.584 1.650 1.00 73.21 H new ATOM 0 HD21 LEU A 95 11.001 2.252 1.342 1.00 43.31 H new ATOM 0 HD22 LEU A 95 10.453 0.612 1.763 1.00 43.31 H new ATOM 0 HD23 LEU A 95 11.482 0.867 0.334 1.00 43.31 H new ATOM 1615 N LYS A 96 9.174 0.607 -3.644 1.00 51.31 N ATOM 1616 CA LYS A 96 9.729 1.347 -4.807 1.00 64.31 C ATOM 1617 C LYS A 96 8.603 1.902 -5.712 1.00 0.05 C ATOM 1618 O LYS A 96 8.659 3.052 -6.150 1.00 73.42 O ATOM 1619 CB LYS A 96 10.691 0.437 -5.615 1.00 22.23 C ATOM 1620 CG LYS A 96 11.948 0.004 -4.831 1.00 55.54 C ATOM 1621 CD LYS A 96 12.927 -0.834 -5.685 1.00 13.33 C ATOM 1622 CE LYS A 96 14.206 -1.217 -4.919 1.00 51.44 C ATOM 1623 NZ LYS A 96 15.166 -1.951 -5.781 1.00 40.50 N ATOM 0 H LYS A 96 9.492 -0.360 -3.583 1.00 51.31 H new ATOM 0 HA LYS A 96 10.293 2.199 -4.428 1.00 64.31 H new ATOM 0 HB2 LYS A 96 10.150 -0.453 -5.935 1.00 22.23 H new ATOM 0 HB3 LYS A 96 11.001 0.963 -6.518 1.00 22.23 H new ATOM 0 HG2 LYS A 96 12.463 0.890 -4.461 1.00 55.54 H new ATOM 0 HG3 LYS A 96 11.645 -0.576 -3.959 1.00 55.54 H new ATOM 0 HD2 LYS A 96 12.425 -1.741 -6.021 1.00 13.33 H new ATOM 0 HD3 LYS A 96 13.198 -0.270 -6.578 1.00 13.33 H new ATOM 0 HE2 LYS A 96 14.681 -0.316 -4.531 1.00 51.44 H new ATOM 0 HE3 LYS A 96 13.944 -1.834 -4.060 1.00 51.44 H new ATOM 0 HZ1 LYS A 96 16.014 -2.191 -5.229 1.00 40.50 H new ATOM 0 HZ2 LYS A 96 14.721 -2.824 -6.131 1.00 40.50 H new ATOM 0 HZ3 LYS A 96 15.436 -1.353 -6.588 1.00 40.50 H new ATOM 1637 N GLN A 97 7.571 1.071 -5.943 1.00 22.04 N ATOM 1638 CA GLN A 97 6.344 1.479 -6.663 1.00 23.43 C ATOM 1639 C GLN A 97 5.576 2.586 -5.904 1.00 62.51 C ATOM 1640 O GLN A 97 5.094 3.534 -6.516 1.00 42.13 O ATOM 1641 CB GLN A 97 5.410 0.262 -6.869 1.00 52.10 C ATOM 1642 CG GLN A 97 5.948 -0.822 -7.817 1.00 32.05 C ATOM 1643 CD GLN A 97 4.975 -1.993 -7.999 1.00 43.12 C ATOM 1644 OE1 GLN A 97 4.247 -2.366 -7.084 1.00 74.44 O ATOM 1645 NE2 GLN A 97 4.922 -2.552 -9.192 1.00 40.13 N ATOM 0 H GLN A 97 7.561 0.098 -5.637 1.00 22.04 H new ATOM 0 HA GLN A 97 6.654 1.875 -7.630 1.00 23.43 H new ATOM 0 HB2 GLN A 97 5.212 -0.192 -5.898 1.00 52.10 H new ATOM 0 HB3 GLN A 97 4.455 0.618 -7.255 1.00 52.10 H new ATOM 0 HG2 GLN A 97 6.157 -0.376 -8.789 1.00 32.05 H new ATOM 0 HG3 GLN A 97 6.894 -1.199 -7.429 1.00 32.05 H new ATOM 0 HE21 GLN A 97 5.537 -2.224 -9.937 1.00 40.13 H new ATOM 0 HE22 GLN A 97 4.266 -3.312 -9.370 1.00 40.13 H new ATOM 1654 N LEU A 98 5.461 2.425 -4.569 1.00 51.31 N ATOM 1655 CA LEU A 98 4.708 3.349 -3.675 1.00 50.51 C ATOM 1656 C LEU A 98 5.349 4.763 -3.632 1.00 0.20 C ATOM 1657 O LEU A 98 4.648 5.776 -3.629 1.00 64.41 O ATOM 1658 CB LEU A 98 4.630 2.727 -2.248 1.00 23.25 C ATOM 1659 CG LEU A 98 3.736 3.469 -1.202 1.00 43.33 C ATOM 1660 CD1 LEU A 98 2.257 3.498 -1.643 1.00 42.23 C ATOM 1661 CD2 LEU A 98 3.895 2.850 0.211 1.00 3.11 C ATOM 0 H LEU A 98 5.890 1.645 -4.071 1.00 51.31 H new ATOM 0 HA LEU A 98 3.701 3.475 -4.073 1.00 50.51 H new ATOM 0 HB2 LEU A 98 4.264 1.705 -2.343 1.00 23.25 H new ATOM 0 HB3 LEU A 98 5.642 2.667 -1.848 1.00 23.25 H new ATOM 0 HG LEU A 98 4.079 4.502 -1.149 1.00 43.33 H new ATOM 0 HD11 LEU A 98 1.664 4.021 -0.893 1.00 42.23 H new ATOM 0 HD12 LEU A 98 2.172 4.016 -2.598 1.00 42.23 H new ATOM 0 HD13 LEU A 98 1.889 2.478 -1.749 1.00 42.23 H new ATOM 0 HD21 LEU A 98 3.261 3.387 0.917 1.00 3.11 H new ATOM 0 HD22 LEU A 98 3.600 1.801 0.184 1.00 3.11 H new ATOM 0 HD23 LEU A 98 4.935 2.926 0.527 1.00 3.11 H new ATOM 1673 N GLN A 99 6.691 4.798 -3.607 1.00 52.35 N ATOM 1674 CA GLN A 99 7.485 6.049 -3.622 1.00 64.31 C ATOM 1675 C GLN A 99 7.320 6.808 -4.958 1.00 22.21 C ATOM 1676 O GLN A 99 7.048 8.016 -4.977 1.00 21.45 O ATOM 1677 CB GLN A 99 8.983 5.728 -3.366 1.00 62.11 C ATOM 1678 CG GLN A 99 9.274 5.104 -1.989 1.00 11.33 C ATOM 1679 CD GLN A 99 10.742 4.717 -1.780 1.00 13.03 C ATOM 1680 OE1 GLN A 99 11.453 4.367 -2.717 1.00 12.31 O ATOM 1681 NE2 GLN A 99 11.214 4.782 -0.548 1.00 54.54 N ATOM 0 H GLN A 99 7.265 3.955 -3.576 1.00 52.35 H new ATOM 0 HA GLN A 99 7.114 6.695 -2.826 1.00 64.31 H new ATOM 0 HB2 GLN A 99 9.334 5.047 -4.141 1.00 62.11 H new ATOM 0 HB3 GLN A 99 9.561 6.647 -3.464 1.00 62.11 H new ATOM 0 HG2 GLN A 99 8.980 5.810 -1.212 1.00 11.33 H new ATOM 0 HG3 GLN A 99 8.653 4.217 -1.865 1.00 11.33 H new ATOM 0 HE21 GLN A 99 10.606 5.075 0.216 1.00 54.54 H new ATOM 0 HE22 GLN A 99 12.187 4.539 -0.361 1.00 54.54 H new ATOM 1690 N GLU A 100 7.480 6.069 -6.067 1.00 12.22 N ATOM 1691 CA GLU A 100 7.326 6.613 -7.435 1.00 1.33 C ATOM 1692 C GLU A 100 5.851 6.962 -7.743 1.00 31.42 C ATOM 1693 O GLU A 100 5.571 7.803 -8.596 1.00 50.42 O ATOM 1694 CB GLU A 100 7.887 5.605 -8.475 1.00 64.15 C ATOM 1695 CG GLU A 100 9.390 5.311 -8.313 1.00 3.10 C ATOM 1696 CD GLU A 100 9.942 4.357 -9.386 1.00 72.20 C ATOM 1697 OE1 GLU A 100 10.325 4.831 -10.482 1.00 14.34 O ATOM 1698 OE2 GLU A 100 9.984 3.129 -9.153 1.00 73.24 O ATOM 0 H GLU A 100 7.720 5.078 -6.046 1.00 12.22 H new ATOM 0 HA GLU A 100 7.898 7.539 -7.500 1.00 1.33 H new ATOM 0 HB2 GLU A 100 7.333 4.670 -8.395 1.00 64.15 H new ATOM 0 HB3 GLU A 100 7.709 5.996 -9.477 1.00 64.15 H new ATOM 0 HG2 GLU A 100 9.943 6.249 -8.352 1.00 3.10 H new ATOM 0 HG3 GLU A 100 9.565 4.879 -7.328 1.00 3.10 H new ATOM 1705 N PHE A 101 4.910 6.285 -7.060 1.00 74.31 N ATOM 1706 CA PHE A 101 3.468 6.602 -7.158 1.00 34.32 C ATOM 1707 C PHE A 101 3.108 7.890 -6.381 1.00 63.23 C ATOM 1708 O PHE A 101 2.234 8.634 -6.816 1.00 2.11 O ATOM 1709 CB PHE A 101 2.573 5.423 -6.688 1.00 44.14 C ATOM 1710 CG PHE A 101 1.078 5.751 -6.751 1.00 73.15 C ATOM 1711 CD1 PHE A 101 0.444 5.928 -7.982 1.00 75.45 C ATOM 1712 CD2 PHE A 101 0.331 5.963 -5.591 1.00 52.11 C ATOM 1713 CE1 PHE A 101 -0.889 6.284 -8.047 1.00 75.15 C ATOM 1714 CE2 PHE A 101 -0.997 6.329 -5.664 1.00 22.31 C ATOM 1715 CZ PHE A 101 -1.604 6.494 -6.891 1.00 12.43 C ATOM 0 H PHE A 101 5.121 5.511 -6.431 1.00 74.31 H new ATOM 0 HA PHE A 101 3.267 6.773 -8.216 1.00 34.32 H new ATOM 0 HB2 PHE A 101 2.775 4.550 -7.308 1.00 44.14 H new ATOM 0 HB3 PHE A 101 2.839 5.156 -5.665 1.00 44.14 H new ATOM 0 HD1 PHE A 101 1.003 5.785 -8.895 1.00 75.45 H new ATOM 0 HD2 PHE A 101 0.798 5.839 -4.625 1.00 52.11 H new ATOM 0 HE1 PHE A 101 -1.371 6.398 -9.007 1.00 75.15 H new ATOM 0 HE2 PHE A 101 -1.563 6.487 -4.758 1.00 22.31 H new ATOM 0 HZ PHE A 101 -2.642 6.788 -6.944 1.00 12.43 H new ATOM 1725 N SER A 102 3.748 8.128 -5.220 1.00 44.54 N ATOM 1726 CA SER A 102 3.496 9.346 -4.392 1.00 33.15 C ATOM 1727 C SER A 102 3.689 10.645 -5.212 1.00 61.43 C ATOM 1728 O SER A 102 2.878 11.580 -5.125 1.00 12.05 O ATOM 1729 CB SER A 102 4.404 9.358 -3.144 1.00 3.21 C ATOM 1730 OG SER A 102 4.160 8.234 -2.323 1.00 55.11 O ATOM 0 H SER A 102 4.446 7.498 -4.825 1.00 44.54 H new ATOM 0 HA SER A 102 2.456 9.309 -4.067 1.00 33.15 H new ATOM 0 HB2 SER A 102 5.450 9.366 -3.452 1.00 3.21 H new ATOM 0 HB3 SER A 102 4.232 10.272 -2.575 1.00 3.21 H new ATOM 0 HG SER A 102 4.344 7.414 -2.828 1.00 55.11 H new ATOM 1736 N GLU A 103 4.746 10.662 -6.043 1.00 51.21 N ATOM 1737 CA GLU A 103 5.017 11.770 -6.989 1.00 2.44 C ATOM 1738 C GLU A 103 4.148 11.701 -8.279 1.00 2.21 C ATOM 1739 O GLU A 103 4.138 12.636 -9.077 1.00 71.05 O ATOM 1740 CB GLU A 103 6.527 11.822 -7.341 1.00 23.15 C ATOM 1741 CG GLU A 103 7.136 10.503 -7.839 1.00 64.23 C ATOM 1742 CD GLU A 103 8.647 10.605 -8.116 1.00 61.41 C ATOM 1743 OE1 GLU A 103 9.030 10.957 -9.250 1.00 24.12 O ATOM 1744 OE2 GLU A 103 9.455 10.337 -7.202 1.00 61.55 O ATOM 0 H GLU A 103 5.437 9.913 -6.081 1.00 51.21 H new ATOM 0 HA GLU A 103 4.734 12.692 -6.482 1.00 2.44 H new ATOM 0 HB2 GLU A 103 6.678 12.583 -8.106 1.00 23.15 H new ATOM 0 HB3 GLU A 103 7.077 12.145 -6.457 1.00 23.15 H new ATOM 0 HG2 GLU A 103 6.960 9.725 -7.096 1.00 64.23 H new ATOM 0 HG3 GLU A 103 6.625 10.195 -8.751 1.00 64.23 H new ATOM 1751 N ASN A 104 3.439 10.585 -8.483 1.00 1.33 N ATOM 1752 CA ASN A 104 2.523 10.388 -9.644 1.00 25.53 C ATOM 1753 C ASN A 104 1.031 10.211 -9.222 1.00 51.45 C ATOM 1754 O ASN A 104 0.220 9.705 -10.010 1.00 31.33 O ATOM 1755 CB ASN A 104 3.014 9.181 -10.488 1.00 11.24 C ATOM 1756 CG ASN A 104 4.369 9.438 -11.158 1.00 3.43 C ATOM 1757 OD1 ASN A 104 4.706 10.566 -11.507 1.00 64.12 O ATOM 1758 ND2 ASN A 104 5.148 8.400 -11.358 1.00 60.22 N ATOM 0 H ASN A 104 3.475 9.783 -7.854 1.00 1.33 H new ATOM 0 HA ASN A 104 2.554 11.295 -10.248 1.00 25.53 H new ATOM 0 HB2 ASN A 104 3.091 8.303 -9.847 1.00 11.24 H new ATOM 0 HB3 ASN A 104 2.272 8.953 -11.254 1.00 11.24 H new ATOM 0 HD21 ASN A 104 6.053 8.522 -11.812 1.00 60.22 H new ATOM 0 HD22 ASN A 104 4.848 7.472 -11.060 1.00 60.22 H new ATOM 1765 N LYS A 105 0.671 10.634 -7.988 1.00 41.22 N ATOM 1766 CA LYS A 105 -0.749 10.655 -7.532 1.00 43.44 C ATOM 1767 C LYS A 105 -1.540 11.746 -8.287 1.00 74.43 C ATOM 1768 O LYS A 105 -2.582 11.476 -8.894 1.00 2.41 O ATOM 1769 CB LYS A 105 -0.859 10.889 -5.994 1.00 31.24 C ATOM 1770 CG LYS A 105 -0.321 9.734 -5.130 1.00 3.32 C ATOM 1771 CD LYS A 105 -0.606 9.885 -3.612 1.00 13.40 C ATOM 1772 CE LYS A 105 0.298 10.905 -2.886 1.00 62.12 C ATOM 1773 NZ LYS A 105 0.049 12.313 -3.289 1.00 23.12 N ATOM 0 H LYS A 105 1.336 10.965 -7.289 1.00 41.22 H new ATOM 0 HA LYS A 105 -1.178 9.678 -7.754 1.00 43.44 H new ATOM 0 HB2 LYS A 105 -0.317 11.799 -5.739 1.00 31.24 H new ATOM 0 HB3 LYS A 105 -1.905 11.059 -5.739 1.00 31.24 H new ATOM 0 HG2 LYS A 105 -0.761 8.800 -5.479 1.00 3.32 H new ATOM 0 HG3 LYS A 105 0.756 9.655 -5.279 1.00 3.32 H new ATOM 0 HD2 LYS A 105 -1.646 10.182 -3.479 1.00 13.40 H new ATOM 0 HD3 LYS A 105 -0.489 8.912 -3.135 1.00 13.40 H new ATOM 0 HE2 LYS A 105 0.146 10.811 -1.811 1.00 62.12 H new ATOM 0 HE3 LYS A 105 1.341 10.658 -3.083 1.00 62.12 H new ATOM 0 HZ1 LYS A 105 0.079 12.925 -2.449 1.00 23.12 H new ATOM 0 HZ2 LYS A 105 0.780 12.615 -3.964 1.00 23.12 H new ATOM 0 HZ3 LYS A 105 -0.887 12.386 -3.737 1.00 23.12 H new ATOM 1787 N GLU A 106 -1.014 12.980 -8.243 1.00 1.11 N ATOM 1788 CA GLU A 106 -1.597 14.158 -8.935 1.00 1.24 C ATOM 1789 C GLU A 106 -0.597 14.744 -9.971 1.00 31.40 C ATOM 1790 O GLU A 106 -0.823 15.834 -10.506 1.00 5.21 O ATOM 1791 CB GLU A 106 -1.981 15.233 -7.878 1.00 43.42 C ATOM 1792 CG GLU A 106 -3.008 14.761 -6.831 1.00 33.11 C ATOM 1793 CD GLU A 106 -3.299 15.817 -5.756 1.00 43.41 C ATOM 1794 OE1 GLU A 106 -4.059 16.771 -6.041 1.00 13.42 O ATOM 1795 OE2 GLU A 106 -2.766 15.705 -4.627 1.00 41.01 O ATOM 0 H GLU A 106 -0.164 13.198 -7.723 1.00 1.11 H new ATOM 0 HA GLU A 106 -2.490 13.847 -9.477 1.00 1.24 H new ATOM 0 HB2 GLU A 106 -1.077 15.556 -7.362 1.00 43.42 H new ATOM 0 HB3 GLU A 106 -2.382 16.105 -8.394 1.00 43.42 H new ATOM 0 HG2 GLU A 106 -3.938 14.498 -7.335 1.00 33.11 H new ATOM 0 HG3 GLU A 106 -2.639 13.855 -6.351 1.00 33.11 H new ATOM 1802 N LYS A 107 0.472 13.966 -10.267 1.00 71.44 N ATOM 1803 CA LYS A 107 1.615 14.362 -11.122 1.00 53.00 C ATOM 1804 C LYS A 107 2.371 15.604 -10.547 1.00 21.35 C ATOM 1805 O LYS A 107 1.918 16.751 -10.655 1.00 21.22 O ATOM 1806 CB LYS A 107 1.179 14.566 -12.613 1.00 61.32 C ATOM 1807 CG LYS A 107 2.226 14.134 -13.679 1.00 74.52 C ATOM 1808 CD LYS A 107 3.552 14.949 -13.643 1.00 13.11 C ATOM 1809 CE LYS A 107 4.587 14.451 -14.672 1.00 1.42 C ATOM 1810 NZ LYS A 107 5.866 15.207 -14.592 1.00 65.43 N ATOM 0 H LYS A 107 0.565 13.017 -9.906 1.00 71.44 H new ATOM 0 HA LYS A 107 2.327 13.536 -11.114 1.00 53.00 H new ATOM 0 HB2 LYS A 107 0.259 14.007 -12.785 1.00 61.32 H new ATOM 0 HB3 LYS A 107 0.945 15.620 -12.764 1.00 61.32 H new ATOM 0 HG2 LYS A 107 2.458 13.079 -13.536 1.00 74.52 H new ATOM 0 HG3 LYS A 107 1.780 14.231 -14.669 1.00 74.52 H new ATOM 0 HD2 LYS A 107 3.333 16.000 -13.834 1.00 13.11 H new ATOM 0 HD3 LYS A 107 3.983 14.890 -12.643 1.00 13.11 H new ATOM 0 HE2 LYS A 107 4.782 13.392 -14.506 1.00 1.42 H new ATOM 0 HE3 LYS A 107 4.173 14.545 -15.676 1.00 1.42 H new ATOM 0 HZ1 LYS A 107 6.532 14.839 -15.301 1.00 65.43 H new ATOM 0 HZ2 LYS A 107 5.686 16.215 -14.776 1.00 65.43 H new ATOM 0 HZ3 LYS A 107 6.276 15.097 -13.642 1.00 65.43 H new ATOM 1824 N GLU A 108 3.534 15.337 -9.947 1.00 41.54 N ATOM 1825 CA GLU A 108 4.420 16.361 -9.353 1.00 72.30 C ATOM 1826 C GLU A 108 5.907 15.965 -9.571 1.00 71.05 C ATOM 1827 O GLU A 108 6.204 14.995 -10.287 1.00 51.43 O ATOM 1828 CB GLU A 108 4.111 16.512 -7.830 1.00 62.21 C ATOM 1829 CG GLU A 108 4.362 15.233 -7.010 1.00 54.43 C ATOM 1830 CD GLU A 108 4.141 15.382 -5.495 1.00 31.13 C ATOM 1831 OE1 GLU A 108 5.055 15.871 -4.800 1.00 20.13 O ATOM 1832 OE2 GLU A 108 3.066 14.996 -4.993 1.00 35.14 O ATOM 0 H GLU A 108 3.899 14.389 -9.855 1.00 41.54 H new ATOM 0 HA GLU A 108 4.240 17.319 -9.841 1.00 72.30 H new ATOM 0 HB2 GLU A 108 4.723 17.318 -7.424 1.00 62.21 H new ATOM 0 HB3 GLU A 108 3.070 16.810 -7.709 1.00 62.21 H new ATOM 0 HG2 GLU A 108 3.707 14.446 -7.382 1.00 54.43 H new ATOM 0 HG3 GLU A 108 5.387 14.903 -7.182 1.00 54.43 H new ATOM 1839 N ILE A 109 6.837 16.732 -8.966 1.00 41.42 N ATOM 1840 CA ILE A 109 8.281 16.404 -8.979 1.00 55.31 C ATOM 1841 C ILE A 109 8.548 15.207 -8.042 1.00 52.40 C ATOM 1842 O ILE A 109 8.050 15.147 -6.916 1.00 23.40 O ATOM 1843 CB ILE A 109 9.191 17.635 -8.558 1.00 74.42 C ATOM 1844 CG1 ILE A 109 9.130 18.817 -9.601 1.00 31.02 C ATOM 1845 CG2 ILE A 109 10.665 17.200 -8.326 1.00 31.51 C ATOM 1846 CD1 ILE A 109 7.821 19.590 -9.668 1.00 30.13 C ATOM 0 H ILE A 109 6.613 17.588 -8.459 1.00 41.42 H new ATOM 0 HA ILE A 109 8.547 16.147 -10.004 1.00 55.31 H new ATOM 0 HB ILE A 109 8.784 18.005 -7.617 1.00 74.42 H new ATOM 0 HG12 ILE A 109 9.931 19.519 -9.369 1.00 31.02 H new ATOM 0 HG13 ILE A 109 9.339 18.411 -10.591 1.00 31.02 H new ATOM 0 HG21 ILE A 109 11.260 18.067 -8.039 1.00 31.51 H new ATOM 0 HG22 ILE A 109 10.704 16.455 -7.531 1.00 31.51 H new ATOM 0 HG23 ILE A 109 11.067 16.772 -9.244 1.00 31.51 H new ATOM 0 HD11 ILE A 109 7.900 20.376 -10.419 1.00 30.13 H new ATOM 0 HD12 ILE A 109 7.011 18.912 -9.937 1.00 30.13 H new ATOM 0 HD13 ILE A 109 7.612 20.037 -8.696 1.00 30.13 H new TER 1858 ILE A 109