USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 426 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 63 TYR OH : rot 180:sc= 0.262 USER MOD Set 1.2: A 67 GLN : amide:sc= 1.34 K(o=1.6,f=0.36) USER MOD Set 2.1: A 3 ASN : amide:sc= 0.428 K(o=1.7,f=-1.5!) USER MOD Set 2.2: A 43 TYR OH : rot 158:sc= 1.26 USER MOD Set 3.1: A 5 TYR OH : rot -17:sc= 1.62 USER MOD Set 3.2: A 41 SER OG : rot -36:sc= 0.387 USER MOD Set 3.3: A 57 LYS NZ :NH3+ 149:sc= 1.29 (180deg=-0.133) USER MOD Set 3.4: A 60 THR OG1 : rot -15:sc= 0.575 USER MOD Set 4.1: A 23 ASN : amide:sc= 1.52 K(o=3.3,f=-1.9!) USER MOD Set 4.2: A 34 SER OG : rot 27:sc= 1.76 USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.07) USER MOD Single : A 9 SER OG : rot -56:sc= 0.632 USER MOD Single : A 10 SER OG : rot 180:sc=-0.00439 USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= 1.98 (180deg=1.19) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.326 K(o=0.33,f=-5.5!) USER MOD Single : A 20 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 21 TYR OH : rot 130:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -48:sc= 1.22 USER MOD Single : A 31 TYR OH : rot 124:sc= 1.27 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -14:sc= 1.08 USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= 1.06 (180deg=-1.92!) USER MOD Single : A 55 LYS NZ :NH3+ -132:sc= 1.25 (180deg=1.08) USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 1.01 (180deg=0.627) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 7.291 1.308 -7.668 1.00 0.00 N ATOM 20 CA LYS A 2 6.642 2.579 -7.381 1.00 0.00 C ATOM 21 C LYS A 2 6.096 2.525 -5.961 1.00 0.00 C ATOM 22 O LYS A 2 6.469 1.617 -5.227 1.00 0.00 O ATOM 23 CB LYS A 2 5.569 2.800 -8.454 1.00 0.00 C ATOM 24 CG LYS A 2 4.630 1.592 -8.661 1.00 0.00 C ATOM 25 CD LYS A 2 3.241 1.818 -8.084 1.00 0.00 C ATOM 26 CE LYS A 2 2.434 2.813 -8.933 1.00 0.00 C ATOM 27 NZ LYS A 2 1.389 3.486 -8.137 1.00 0.00 N ATOM 0 HA LYS A 2 7.323 3.429 -7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.971 3.670 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.058 3.033 -9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.546 1.382 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.072 0.710 -8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.709 0.868 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.326 2.193 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.106 3.559 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.973 2.288 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.921 4.210 -8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.686 2.786 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.822 3.937 -7.306 1.00 0.00 H new ATOM 37 N ASN A 3 5.210 3.440 -5.556 1.00 0.00 N ATOM 38 CA ASN A 3 4.389 3.320 -4.371 1.00 0.00 C ATOM 39 C ASN A 3 2.924 3.402 -4.786 1.00 0.00 C ATOM 40 O ASN A 3 2.578 4.014 -5.798 1.00 0.00 O ATOM 41 CB ASN A 3 4.762 4.412 -3.382 1.00 0.00 C ATOM 42 CG ASN A 3 4.595 5.850 -3.829 1.00 0.00 C ATOM 43 OD1 ASN A 3 4.345 6.155 -4.992 1.00 0.00 O ATOM 44 ND2 ASN A 3 4.764 6.719 -2.844 1.00 0.00 N ATOM 0 H ASN A 3 5.048 4.308 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 3 4.554 2.362 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.164 4.268 -2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.805 4.267 -3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.688 7.719 -3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.970 6.388 -1.901 1.00 0.00 H new ATOM 50 N GLY A 4 2.071 2.654 -4.096 1.00 0.00 N ATOM 51 CA GLY A 4 0.774 2.289 -4.646 1.00 0.00 C ATOM 52 C GLY A 4 -0.029 1.461 -3.659 1.00 0.00 C ATOM 53 O GLY A 4 0.513 0.986 -2.659 1.00 0.00 O ATOM 0 H GLY A 4 2.254 2.291 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.219 3.191 -4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.913 1.725 -5.569 1.00 0.00 H new ATOM 57 N TYR A 5 -1.318 1.292 -3.966 1.00 0.00 N ATOM 58 CA TYR A 5 -2.198 0.386 -3.253 1.00 0.00 C ATOM 59 C TYR A 5 -1.947 -1.041 -3.727 1.00 0.00 C ATOM 60 O TYR A 5 -2.432 -1.424 -4.787 1.00 0.00 O ATOM 61 CB TYR A 5 -3.666 0.790 -3.430 1.00 0.00 C ATOM 62 CG TYR A 5 -4.233 2.001 -2.702 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.621 2.569 -1.564 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.500 2.468 -3.099 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.214 3.673 -0.918 1.00 0.00 C ATOM 66 CE2 TYR A 5 -6.128 3.514 -2.405 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.471 4.139 -1.336 1.00 0.00 C ATOM 68 OH TYR A 5 -6.085 5.176 -0.692 1.00 0.00 O ATOM 0 H TYR A 5 -1.778 1.791 -4.728 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.981 0.442 -2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.828 0.952 -4.496 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.272 -0.069 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.696 2.157 -1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.994 2.017 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.702 4.160 -0.102 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.117 3.837 -2.694 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.669 5.309 0.185 1.00 0.00 H new ATOM 77 N ALA A 6 -1.187 -1.822 -2.959 1.00 0.00 N ATOM 78 CA ALA A 6 -0.811 -3.172 -3.354 1.00 0.00 C ATOM 79 C ALA A 6 -2.016 -4.108 -3.271 1.00 0.00 C ATOM 80 O ALA A 6 -2.722 -4.100 -2.263 1.00 0.00 O ATOM 81 CB ALA A 6 0.315 -3.673 -2.448 1.00 0.00 C ATOM 0 H ALA A 6 -0.819 -1.536 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.462 -3.158 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.597 -4.684 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.178 -3.014 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.026 -3.679 -1.413 1.00 0.00 H new ATOM 87 N VAL A 7 -2.230 -4.936 -4.299 1.00 0.00 N ATOM 88 CA VAL A 7 -3.107 -6.091 -4.210 1.00 0.00 C ATOM 89 C VAL A 7 -2.455 -7.268 -4.917 1.00 0.00 C ATOM 90 O VAL A 7 -1.590 -7.073 -5.773 1.00 0.00 O ATOM 91 CB VAL A 7 -4.481 -5.823 -4.830 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.314 -4.886 -3.946 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.401 -5.333 -6.280 1.00 0.00 C ATOM 0 H VAL A 7 -1.796 -4.817 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.260 -6.313 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.997 -6.782 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.284 -4.714 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.457 -5.342 -2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.793 -3.936 -3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.407 -5.161 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.834 -4.403 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.904 -6.086 -6.892 1.00 0.00 H new ATOM 103 N ASP A 8 -2.911 -8.470 -4.559 1.00 0.00 N ATOM 104 CA ASP A 8 -2.386 -9.723 -5.063 1.00 0.00 C ATOM 105 C ASP A 8 -3.270 -10.294 -6.151 1.00 0.00 C ATOM 106 O ASP A 8 -4.196 -9.649 -6.639 1.00 0.00 O ATOM 107 CB ASP A 8 -2.303 -10.738 -3.915 1.00 0.00 C ATOM 108 CG ASP A 8 -0.978 -11.467 -4.003 1.00 0.00 C ATOM 109 OD1 ASP A 8 -0.907 -12.344 -4.891 1.00 0.00 O ATOM 110 OD2 ASP A 8 -0.048 -11.043 -3.281 1.00 0.00 O ATOM 0 H ASP A 8 -3.674 -8.593 -3.894 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.398 -9.530 -5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.391 -10.230 -2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.129 -11.447 -3.977 1.00 0.00 H new ATOM 114 N SER A 9 -3.095 -11.594 -6.365 1.00 0.00 N ATOM 115 CA SER A 9 -4.056 -12.453 -7.029 1.00 0.00 C ATOM 116 C SER A 9 -5.310 -12.671 -6.160 1.00 0.00 C ATOM 117 O SER A 9 -5.809 -13.795 -6.071 1.00 0.00 O ATOM 118 CB SER A 9 -3.362 -13.777 -7.385 1.00 0.00 C ATOM 119 OG SER A 9 -4.236 -14.620 -8.111 1.00 0.00 O ATOM 0 H SER A 9 -2.253 -12.089 -6.070 1.00 0.00 H new ATOM 0 HA SER A 9 -4.405 -11.977 -7.945 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.468 -13.577 -7.975 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.037 -14.280 -6.474 1.00 0.00 H new ATOM 0 HG SER A 9 -5.058 -14.761 -7.596 1.00 0.00 H new ATOM 124 N SER A 10 -5.846 -11.625 -5.517 1.00 0.00 N ATOM 125 CA SER A 10 -7.175 -11.662 -4.911 1.00 0.00 C ATOM 126 C SER A 10 -7.881 -10.315 -5.091 1.00 0.00 C ATOM 127 O SER A 10 -8.952 -10.248 -5.685 1.00 0.00 O ATOM 128 CB SER A 10 -7.081 -12.101 -3.445 1.00 0.00 C ATOM 129 OG SER A 10 -6.406 -13.341 -3.357 1.00 0.00 O ATOM 0 H SER A 10 -5.367 -10.731 -5.405 1.00 0.00 H new ATOM 0 HA SER A 10 -7.788 -12.406 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.551 -11.346 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.080 -12.189 -3.018 1.00 0.00 H new ATOM 0 HG SER A 10 -6.347 -13.616 -2.418 1.00 0.00 H new ATOM 134 N GLY A 11 -7.273 -9.231 -4.607 1.00 0.00 N ATOM 135 CA GLY A 11 -7.674 -7.883 -4.969 1.00 0.00 C ATOM 136 C GLY A 11 -8.961 -7.400 -4.320 1.00 0.00 C ATOM 137 O GLY A 11 -9.641 -6.536 -4.867 1.00 0.00 O ATOM 0 H GLY A 11 -6.490 -9.269 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.870 -7.197 -4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.790 -7.833 -6.052 1.00 0.00 H new ATOM 141 N LYS A 12 -9.203 -7.825 -3.079 1.00 0.00 N ATOM 142 CA LYS A 12 -9.727 -6.916 -2.089 1.00 0.00 C ATOM 143 C LYS A 12 -8.513 -6.208 -1.469 1.00 0.00 C ATOM 144 O LYS A 12 -7.450 -6.813 -1.336 1.00 0.00 O ATOM 145 CB LYS A 12 -10.513 -7.740 -1.062 1.00 0.00 C ATOM 146 CG LYS A 12 -10.555 -7.002 0.269 1.00 0.00 C ATOM 147 CD LYS A 12 -11.502 -7.668 1.250 1.00 0.00 C ATOM 148 CE LYS A 12 -11.392 -7.019 2.647 1.00 0.00 C ATOM 149 NZ LYS A 12 -11.092 -5.566 2.591 1.00 0.00 N ATOM 0 H LYS A 12 -9.044 -8.778 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.406 -6.168 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.526 -7.916 -1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.047 -8.717 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.553 -6.966 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.868 -5.971 0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.526 -7.586 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.272 -8.731 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.327 -7.171 3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.611 -7.524 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.278 -5.137 3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.092 -5.427 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.695 -5.114 1.874 1.00 0.00 H new ATOM 159 N VAL A 13 -8.679 -4.956 -1.033 1.00 0.00 N ATOM 160 CA VAL A 13 -7.674 -4.280 -0.223 1.00 0.00 C ATOM 161 C VAL A 13 -7.457 -5.013 1.106 1.00 0.00 C ATOM 162 O VAL A 13 -8.416 -5.323 1.829 1.00 0.00 O ATOM 163 CB VAL A 13 -8.035 -2.806 0.017 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.970 -2.009 -1.285 1.00 0.00 C ATOM 165 CG2 VAL A 13 -9.402 -2.605 0.679 1.00 0.00 C ATOM 0 H VAL A 13 -9.505 -4.392 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.738 -4.301 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.288 -2.433 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.230 -0.969 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.960 -2.060 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.673 -2.429 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.587 -1.540 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.180 -3.029 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.413 -3.103 1.649 1.00 0.00 H new ATOM 175 N SER A 14 -6.186 -5.252 1.436 1.00 0.00 N ATOM 176 CA SER A 14 -5.755 -5.888 2.677 1.00 0.00 C ATOM 177 C SER A 14 -5.820 -4.850 3.799 1.00 0.00 C ATOM 178 O SER A 14 -4.799 -4.386 4.293 1.00 0.00 O ATOM 179 CB SER A 14 -4.354 -6.476 2.489 1.00 0.00 C ATOM 180 OG SER A 14 -4.372 -7.399 1.416 1.00 0.00 O ATOM 0 H SER A 14 -5.407 -5.000 0.827 1.00 0.00 H new ATOM 0 HA SER A 14 -6.410 -6.716 2.949 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.638 -5.680 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.030 -6.971 3.404 1.00 0.00 H new ATOM 0 HG SER A 14 -3.475 -7.775 1.293 1.00 0.00 H new ATOM 185 N GLU A 15 -7.057 -4.469 4.118 1.00 0.00 N ATOM 186 CA GLU A 15 -7.474 -3.242 4.774 1.00 0.00 C ATOM 187 C GLU A 15 -6.629 -2.910 6.013 1.00 0.00 C ATOM 188 O GLU A 15 -5.765 -2.044 5.937 1.00 0.00 O ATOM 189 CB GLU A 15 -8.988 -3.371 5.032 1.00 0.00 C ATOM 190 CG GLU A 15 -9.799 -2.124 4.650 1.00 0.00 C ATOM 191 CD GLU A 15 -11.290 -2.438 4.528 1.00 0.00 C ATOM 192 OE1 GLU A 15 -11.598 -3.555 4.045 1.00 0.00 O ATOM 193 OE2 GLU A 15 -12.092 -1.560 4.899 1.00 0.00 O ATOM 0 H GLU A 15 -7.856 -5.065 3.903 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.297 -2.375 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.369 -4.225 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.148 -3.586 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.650 -1.348 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.432 -1.726 3.704 1.00 0.00 H new ATOM 198 N CYS A 16 -6.859 -3.625 7.123 1.00 0.00 N ATOM 199 CA CYS A 16 -6.130 -3.507 8.388 1.00 0.00 C ATOM 200 C CYS A 16 -6.208 -2.126 9.058 1.00 0.00 C ATOM 201 O CYS A 16 -6.660 -1.149 8.471 1.00 0.00 O ATOM 202 CB CYS A 16 -4.689 -4.034 8.245 1.00 0.00 C ATOM 203 SG CYS A 16 -3.323 -2.984 8.811 1.00 0.00 S ATOM 0 H CYS A 16 -7.592 -4.333 7.163 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.654 -4.152 9.093 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.627 -4.979 8.785 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.521 -4.257 7.191 1.00 0.00 H new ATOM 207 N LEU A 17 -5.799 -2.065 10.331 1.00 0.00 N ATOM 208 CA LEU A 17 -5.514 -0.851 11.067 1.00 0.00 C ATOM 209 C LEU A 17 -4.023 -0.772 11.442 1.00 0.00 C ATOM 210 O LEU A 17 -3.400 0.279 11.316 1.00 0.00 O ATOM 211 CB LEU A 17 -6.452 -0.790 12.276 1.00 0.00 C ATOM 212 CG LEU A 17 -6.393 -1.967 13.269 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.546 -1.617 14.501 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.806 -2.332 13.739 1.00 0.00 C ATOM 0 H LEU A 17 -5.655 -2.905 10.892 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.701 0.028 10.450 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.238 0.127 12.825 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.475 -0.709 11.907 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.937 -2.810 12.750 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.525 -2.468 15.182 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.530 -1.377 14.188 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.981 -0.757 15.009 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.752 -3.165 14.440 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.259 -1.472 14.231 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.412 -2.619 12.880 1.00 0.00 H new ATOM 225 N LEU A 18 -3.421 -1.875 11.905 1.00 0.00 N ATOM 226 CA LEU A 18 -2.051 -1.872 12.394 1.00 0.00 C ATOM 227 C LEU A 18 -1.048 -1.875 11.235 1.00 0.00 C ATOM 228 O LEU A 18 -0.480 -2.911 10.911 1.00 0.00 O ATOM 229 CB LEU A 18 -1.847 -3.042 13.369 1.00 0.00 C ATOM 230 CG LEU A 18 -2.303 -4.404 12.810 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.171 -5.421 12.926 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.519 -4.939 13.576 1.00 0.00 C ATOM 0 H LEU A 18 -3.874 -2.788 11.948 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.865 -0.950 12.945 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.791 -3.103 13.633 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.394 -2.836 14.289 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.576 -4.257 11.765 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.502 -6.381 12.529 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.308 -5.071 12.359 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.893 -5.538 13.973 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.817 -5.901 13.159 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.260 -5.064 14.627 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.345 -4.233 13.487 1.00 0.00 H new ATOM 243 N ASN A 19 -0.810 -0.698 10.648 1.00 0.00 N ATOM 244 CA ASN A 19 0.163 -0.360 9.611 1.00 0.00 C ATOM 245 C ASN A 19 1.341 -1.329 9.440 1.00 0.00 C ATOM 246 O ASN A 19 1.681 -1.695 8.314 1.00 0.00 O ATOM 247 CB ASN A 19 0.706 1.042 9.915 1.00 0.00 C ATOM 248 CG ASN A 19 -0.312 2.148 9.696 1.00 0.00 C ATOM 249 OD1 ASN A 19 -1.362 1.925 9.105 1.00 0.00 O ATOM 250 ND2 ASN A 19 0.010 3.358 10.131 1.00 0.00 N ATOM 0 H ASN A 19 -1.351 0.124 10.917 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.378 -0.421 8.666 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.048 1.074 10.949 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.576 1.230 9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.625 4.141 9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.893 3.506 10.619 1.00 0.00 H new ATOM 256 N ASN A 20 1.993 -1.711 10.544 1.00 0.00 N ATOM 257 CA ASN A 20 3.077 -2.691 10.557 1.00 0.00 C ATOM 258 C ASN A 20 2.764 -3.903 9.675 1.00 0.00 C ATOM 259 O ASN A 20 3.607 -4.315 8.882 1.00 0.00 O ATOM 260 CB ASN A 20 3.354 -3.144 11.993 1.00 0.00 C ATOM 261 CG ASN A 20 4.392 -4.266 12.014 1.00 0.00 C ATOM 262 OD1 ASN A 20 5.585 -4.013 11.912 1.00 0.00 O ATOM 263 ND2 ASN A 20 3.949 -5.515 12.131 1.00 0.00 N ATOM 0 H ASN A 20 1.776 -1.339 11.469 1.00 0.00 H new ATOM 0 HA ASN A 20 3.964 -2.208 10.148 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.711 -2.300 12.583 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.429 -3.488 12.456 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.610 -6.292 12.137 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.949 -5.696 12.214 1.00 0.00 H new ATOM 269 N TYR A 21 1.554 -4.453 9.806 1.00 0.00 N ATOM 270 CA TYR A 21 1.054 -5.536 8.970 1.00 0.00 C ATOM 271 C TYR A 21 1.311 -5.235 7.495 1.00 0.00 C ATOM 272 O TYR A 21 1.923 -6.043 6.800 1.00 0.00 O ATOM 273 CB TYR A 21 -0.445 -5.741 9.232 1.00 0.00 C ATOM 274 CG TYR A 21 -1.175 -6.561 8.185 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.156 -7.967 8.237 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.855 -5.911 7.138 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.835 -8.716 7.260 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.529 -6.659 6.162 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.523 -8.062 6.223 1.00 0.00 C ATOM 280 OH TYR A 21 -3.184 -8.777 5.271 1.00 0.00 O ATOM 0 H TYR A 21 0.884 -4.148 10.512 1.00 0.00 H new ATOM 0 HA TYR A 21 1.583 -6.455 9.222 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.566 -6.226 10.200 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.922 -4.764 9.304 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.620 -8.471 9.028 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.858 -4.832 7.086 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.828 -9.795 7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.053 -6.156 5.363 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.096 -8.431 5.176 1.00 0.00 H new ATOM 289 N CYS A 22 0.839 -4.077 7.022 1.00 0.00 N ATOM 290 CA CYS A 22 0.954 -3.719 5.615 1.00 0.00 C ATOM 291 C CYS A 22 2.415 -3.775 5.216 1.00 0.00 C ATOM 292 O CYS A 22 2.772 -4.457 4.265 1.00 0.00 O ATOM 293 CB CYS A 22 0.425 -2.305 5.335 1.00 0.00 C ATOM 294 SG CYS A 22 -0.101 -2.094 3.619 1.00 0.00 S ATOM 0 H CYS A 22 0.374 -3.375 7.598 1.00 0.00 H new ATOM 0 HA CYS A 22 0.356 -4.425 5.039 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.415 -2.096 5.998 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.202 -1.577 5.566 1.00 0.00 H new ATOM 298 N ASN A 23 3.256 -3.077 5.981 1.00 0.00 N ATOM 299 CA ASN A 23 4.682 -2.976 5.709 1.00 0.00 C ATOM 300 C ASN A 23 5.284 -4.374 5.601 1.00 0.00 C ATOM 301 O ASN A 23 5.867 -4.715 4.575 1.00 0.00 O ATOM 302 CB ASN A 23 5.397 -2.175 6.813 1.00 0.00 C ATOM 303 CG ASN A 23 5.068 -0.687 6.795 1.00 0.00 C ATOM 304 OD1 ASN A 23 5.894 0.128 6.395 1.00 0.00 O ATOM 305 ND2 ASN A 23 3.876 -0.292 7.226 1.00 0.00 N ATOM 0 H ASN A 23 2.960 -2.564 6.811 1.00 0.00 H new ATOM 0 HA ASN A 23 4.819 -2.449 4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.124 -2.587 7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.474 -2.302 6.703 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.637 0.700 7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.199 -0.980 7.556 1.00 0.00 H new ATOM 311 N ASN A 24 5.131 -5.183 6.653 1.00 0.00 N ATOM 312 CA ASN A 24 5.636 -6.532 6.740 1.00 0.00 C ATOM 313 C ASN A 24 5.287 -7.363 5.508 1.00 0.00 C ATOM 314 O ASN A 24 6.168 -7.881 4.826 1.00 0.00 O ATOM 315 CB ASN A 24 5.053 -7.155 8.011 1.00 0.00 C ATOM 316 CG ASN A 24 5.949 -8.280 8.466 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.682 -9.454 8.238 1.00 0.00 O ATOM 318 ND2 ASN A 24 7.045 -7.893 9.105 1.00 0.00 N ATOM 0 H ASN A 24 4.631 -4.893 7.493 1.00 0.00 H new ATOM 0 HA ASN A 24 6.725 -6.513 6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.968 -6.402 8.794 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.048 -7.529 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.716 -8.588 9.434 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.217 -6.901 9.268 1.00 0.00 H new ATOM 324 N ILE A 25 3.992 -7.466 5.203 1.00 0.00 N ATOM 325 CA ILE A 25 3.491 -8.198 4.052 1.00 0.00 C ATOM 326 C ILE A 25 4.150 -7.673 2.787 1.00 0.00 C ATOM 327 O ILE A 25 4.561 -8.440 1.915 1.00 0.00 O ATOM 328 CB ILE A 25 1.962 -8.006 4.001 1.00 0.00 C ATOM 329 CG1 ILE A 25 1.296 -8.639 5.230 1.00 0.00 C ATOM 330 CG2 ILE A 25 1.346 -8.535 2.701 1.00 0.00 C ATOM 331 CD1 ILE A 25 1.148 -10.163 5.173 1.00 0.00 C ATOM 0 H ILE A 25 3.255 -7.034 5.761 1.00 0.00 H new ATOM 0 HA ILE A 25 3.724 -9.260 4.132 1.00 0.00 H new ATOM 0 HB ILE A 25 1.773 -6.933 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.877 -8.378 6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.308 -8.197 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.268 -8.375 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.778 -8.006 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.553 -9.601 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.667 -10.516 6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.539 -10.437 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.133 -10.621 5.081 1.00 0.00 H new ATOM 342 N CYS A 26 4.225 -6.352 2.682 1.00 0.00 N ATOM 343 CA CYS A 26 4.627 -5.727 1.439 1.00 0.00 C ATOM 344 C CYS A 26 6.092 -5.952 1.118 1.00 0.00 C ATOM 345 O CYS A 26 6.428 -6.265 -0.021 1.00 0.00 O ATOM 346 CB CYS A 26 4.191 -4.272 1.332 1.00 0.00 C ATOM 347 SG CYS A 26 3.393 -4.006 -0.266 1.00 0.00 S ATOM 0 H CYS A 26 4.014 -5.702 3.439 1.00 0.00 H new ATOM 0 HA CYS A 26 4.077 -6.241 0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.503 -4.026 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.053 -3.613 1.435 1.00 0.00 H new ATOM 351 N THR A 27 6.975 -5.861 2.110 1.00 0.00 N ATOM 352 CA THR A 27 8.353 -6.279 1.894 1.00 0.00 C ATOM 353 C THR A 27 8.397 -7.792 1.625 1.00 0.00 C ATOM 354 O THR A 27 9.111 -8.234 0.728 1.00 0.00 O ATOM 355 CB THR A 27 9.288 -5.802 3.018 1.00 0.00 C ATOM 356 OG1 THR A 27 10.625 -6.137 2.720 1.00 0.00 O ATOM 357 CG2 THR A 27 8.922 -6.379 4.377 1.00 0.00 C ATOM 0 H THR A 27 6.767 -5.511 3.045 1.00 0.00 H new ATOM 0 HA THR A 27 8.745 -5.789 1.003 1.00 0.00 H new ATOM 0 HB THR A 27 9.172 -4.720 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.209 -5.826 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.617 -6.007 5.130 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.908 -6.078 4.639 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.979 -7.467 4.338 1.00 0.00 H new ATOM 365 N LYS A 28 7.603 -8.594 2.351 1.00 0.00 N ATOM 366 CA LYS A 28 7.654 -10.042 2.238 1.00 0.00 C ATOM 367 C LYS A 28 7.363 -10.503 0.805 1.00 0.00 C ATOM 368 O LYS A 28 8.041 -11.403 0.308 1.00 0.00 O ATOM 369 CB LYS A 28 6.706 -10.660 3.282 1.00 0.00 C ATOM 370 CG LYS A 28 6.934 -12.158 3.520 1.00 0.00 C ATOM 371 CD LYS A 28 6.062 -12.999 2.584 1.00 0.00 C ATOM 372 CE LYS A 28 6.310 -14.496 2.799 1.00 0.00 C ATOM 373 NZ LYS A 28 5.531 -15.323 1.853 1.00 0.00 N ATOM 0 H LYS A 28 6.917 -8.252 3.024 1.00 0.00 H new ATOM 0 HA LYS A 28 8.663 -10.395 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.827 -10.130 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.676 -10.506 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.985 -12.400 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.705 -12.405 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.010 -12.772 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.276 -12.736 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.372 -14.709 2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.044 -14.765 3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.726 -16.329 2.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.516 -15.138 1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.803 -15.084 0.878 1.00 0.00 H new ATOM 383 N VAL A 29 6.330 -9.948 0.164 1.00 0.00 N ATOM 384 CA VAL A 29 5.837 -10.378 -1.119 1.00 0.00 C ATOM 385 C VAL A 29 6.283 -9.413 -2.224 1.00 0.00 C ATOM 386 O VAL A 29 6.844 -9.849 -3.225 1.00 0.00 O ATOM 387 CB VAL A 29 4.313 -10.490 -0.972 1.00 0.00 C ATOM 388 CG1 VAL A 29 3.662 -10.648 -2.333 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.919 -11.663 -0.068 1.00 0.00 C ATOM 0 H VAL A 29 5.806 -9.162 0.549 1.00 0.00 H new ATOM 0 HA VAL A 29 6.243 -11.344 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 29 3.959 -9.570 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.581 -10.726 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.896 -9.781 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.040 -11.550 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.833 -11.711 0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.293 -12.593 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.351 -11.520 0.923 1.00 0.00 H new ATOM 399 N TYR A 30 5.992 -8.119 -2.069 1.00 0.00 N ATOM 400 CA TYR A 30 6.097 -7.125 -3.116 1.00 0.00 C ATOM 401 C TYR A 30 7.485 -6.478 -3.150 1.00 0.00 C ATOM 402 O TYR A 30 7.857 -5.871 -4.155 1.00 0.00 O ATOM 403 CB TYR A 30 5.013 -6.066 -2.887 1.00 0.00 C ATOM 404 CG TYR A 30 3.580 -6.562 -2.951 1.00 0.00 C ATOM 405 CD1 TYR A 30 3.036 -7.275 -1.868 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.780 -6.315 -4.083 1.00 0.00 C ATOM 407 CE1 TYR A 30 1.780 -7.887 -1.975 1.00 0.00 C ATOM 408 CE2 TYR A 30 1.498 -6.886 -4.171 1.00 0.00 C ATOM 409 CZ TYR A 30 1.040 -7.745 -3.157 1.00 0.00 C ATOM 410 OH TYR A 30 -0.133 -8.413 -3.308 1.00 0.00 O ATOM 0 H TYR A 30 5.668 -7.733 -1.182 1.00 0.00 H new ATOM 0 HA TYR A 30 5.954 -7.609 -4.082 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.177 -5.611 -1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.138 -5.279 -3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.591 -7.352 -0.945 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.150 -5.689 -4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.385 -8.464 -1.152 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.865 -6.665 -5.018 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.008 -9.353 -3.061 1.00 0.00 H new ATOM 419 N TYR A 31 8.216 -6.580 -2.036 1.00 0.00 N ATOM 420 CA TYR A 31 9.509 -5.964 -1.786 1.00 0.00 C ATOM 421 C TYR A 31 9.416 -4.442 -1.685 1.00 0.00 C ATOM 422 O TYR A 31 10.388 -3.734 -1.940 1.00 0.00 O ATOM 423 CB TYR A 31 10.618 -6.538 -2.657 1.00 0.00 C ATOM 424 CG TYR A 31 10.923 -7.985 -2.312 1.00 0.00 C ATOM 425 CD1 TYR A 31 11.870 -8.263 -1.308 1.00 0.00 C ATOM 426 CD2 TYR A 31 10.032 -8.994 -2.722 1.00 0.00 C ATOM 427 CE1 TYR A 31 11.858 -9.504 -0.650 1.00 0.00 C ATOM 428 CE2 TYR A 31 9.979 -10.210 -2.022 1.00 0.00 C ATOM 429 CZ TYR A 31 10.857 -10.442 -0.951 1.00 0.00 C ATOM 430 OH TYR A 31 10.701 -11.543 -0.165 1.00 0.00 O ATOM 0 H TYR A 31 7.895 -7.130 -1.240 1.00 0.00 H new ATOM 0 HA TYR A 31 9.836 -6.252 -0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.328 -6.469 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.520 -5.939 -2.536 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.608 -7.520 -1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.389 -8.833 -3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.615 -9.736 0.084 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.263 -10.967 -2.307 1.00 0.00 H new ATOM 0 HH TYR A 31 9.778 -11.584 0.161 1.00 0.00 H new ATOM 439 N ALA A 32 8.270 -3.941 -1.209 1.00 0.00 N ATOM 440 CA ALA A 32 8.134 -2.551 -0.840 1.00 0.00 C ATOM 441 C ALA A 32 8.734 -2.344 0.546 1.00 0.00 C ATOM 442 O ALA A 32 8.468 -3.118 1.460 1.00 0.00 O ATOM 443 CB ALA A 32 6.660 -2.182 -0.875 1.00 0.00 C ATOM 0 H ALA A 32 7.423 -4.494 -1.074 1.00 0.00 H new ATOM 0 HA ALA A 32 8.667 -1.905 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.541 -1.134 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.269 -2.339 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.111 -2.808 -0.171 1.00 0.00 H new ATOM 449 N THR A 33 9.548 -1.302 0.697 1.00 0.00 N ATOM 450 CA THR A 33 10.309 -1.032 1.909 1.00 0.00 C ATOM 451 C THR A 33 9.397 -0.525 3.032 1.00 0.00 C ATOM 452 O THR A 33 9.657 -0.779 4.206 1.00 0.00 O ATOM 453 CB THR A 33 11.490 -0.092 1.593 1.00 0.00 C ATOM 454 OG1 THR A 33 12.381 -0.044 2.686 1.00 0.00 O ATOM 455 CG2 THR A 33 11.073 1.340 1.239 1.00 0.00 C ATOM 0 H THR A 33 9.698 -0.609 -0.036 1.00 0.00 H new ATOM 0 HA THR A 33 10.741 -1.960 2.283 1.00 0.00 H new ATOM 0 HB THR A 33 11.969 -0.515 0.710 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.127 0.554 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.961 1.937 1.031 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.431 1.325 0.358 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.530 1.778 2.076 1.00 0.00 H new ATOM 463 N SER A 34 8.313 0.180 2.681 1.00 0.00 N ATOM 464 CA SER A 34 7.317 0.625 3.647 1.00 0.00 C ATOM 465 C SER A 34 5.922 0.567 3.020 1.00 0.00 C ATOM 466 O SER A 34 5.748 -0.090 1.995 1.00 0.00 O ATOM 467 CB SER A 34 7.694 2.012 4.194 1.00 0.00 C ATOM 468 OG SER A 34 6.821 2.412 5.238 1.00 0.00 O ATOM 0 H SER A 34 8.108 0.454 1.720 1.00 0.00 H new ATOM 0 HA SER A 34 7.296 -0.045 4.507 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.720 1.993 4.563 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.659 2.745 3.388 1.00 0.00 H new ATOM 0 HG SER A 34 6.460 1.618 5.685 1.00 0.00 H new ATOM 473 N GLY A 35 4.945 1.246 3.628 1.00 0.00 N ATOM 474 CA GLY A 35 3.516 1.101 3.386 1.00 0.00 C ATOM 475 C GLY A 35 2.793 1.414 4.683 1.00 0.00 C ATOM 476 O GLY A 35 3.424 1.858 5.644 1.00 0.00 O ATOM 0 H GLY A 35 5.146 1.948 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.192 1.777 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.285 0.089 3.054 1.00 0.00 H new ATOM 480 N TYR A 36 1.483 1.180 4.707 1.00 0.00 N ATOM 481 CA TYR A 36 0.631 1.375 5.872 1.00 0.00 C ATOM 482 C TYR A 36 -0.819 1.155 5.463 1.00 0.00 C ATOM 483 O TYR A 36 -1.138 1.121 4.275 1.00 0.00 O ATOM 484 CB TYR A 36 0.842 2.757 6.529 1.00 0.00 C ATOM 485 CG TYR A 36 1.040 3.926 5.594 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.136 4.191 4.549 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.166 4.745 5.764 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.441 5.171 3.594 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.432 5.762 4.843 1.00 0.00 C ATOM 490 CZ TYR A 36 1.594 5.953 3.741 1.00 0.00 C ATOM 491 OH TYR A 36 1.973 6.830 2.777 1.00 0.00 O ATOM 0 H TYR A 36 0.973 0.840 3.892 1.00 0.00 H new ATOM 0 HA TYR A 36 0.904 0.645 6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.020 2.969 7.162 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.711 2.694 7.184 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.791 3.641 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.826 4.590 6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.211 5.323 2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.289 6.403 4.984 1.00 0.00 H new ATOM 0 HH TYR A 36 1.475 6.646 1.953 1.00 0.00 H new ATOM 500 N CYS A 37 -1.687 1.009 6.457 1.00 0.00 N ATOM 501 CA CYS A 37 -3.104 0.778 6.269 1.00 0.00 C ATOM 502 C CYS A 37 -3.751 2.156 6.186 1.00 0.00 C ATOM 503 O CYS A 37 -4.206 2.723 7.176 1.00 0.00 O ATOM 504 CB CYS A 37 -3.603 -0.149 7.382 1.00 0.00 C ATOM 505 SG CYS A 37 -2.816 -1.778 7.201 1.00 0.00 S ATOM 0 H CYS A 37 -1.413 1.050 7.439 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.366 0.253 5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.368 0.275 8.358 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.687 -0.248 7.330 1.00 0.00 H new ATOM 509 N CYS A 38 -3.695 2.721 4.977 1.00 0.00 N ATOM 510 CA CYS A 38 -4.278 4.005 4.611 1.00 0.00 C ATOM 511 C CYS A 38 -5.787 3.963 4.860 1.00 0.00 C ATOM 512 O CYS A 38 -6.361 2.879 4.916 1.00 0.00 O ATOM 513 CB CYS A 38 -3.979 4.262 3.124 1.00 0.00 C ATOM 514 SG CYS A 38 -4.745 5.726 2.393 1.00 0.00 S ATOM 0 H CYS A 38 -3.219 2.272 4.195 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.853 4.810 5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.899 4.344 3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.299 3.389 2.555 1.00 0.00 H new ATOM 518 N LEU A 39 -6.415 5.143 4.959 1.00 0.00 N ATOM 519 CA LEU A 39 -7.835 5.432 5.088 1.00 0.00 C ATOM 520 C LEU A 39 -8.777 4.230 4.949 1.00 0.00 C ATOM 521 O LEU A 39 -9.543 3.953 5.867 1.00 0.00 O ATOM 522 CB LEU A 39 -8.146 6.544 4.074 1.00 0.00 C ATOM 523 CG LEU A 39 -7.913 7.956 4.626 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.006 8.955 3.468 1.00 0.00 C ATOM 525 CD2 LEU A 39 -8.952 8.356 5.683 1.00 0.00 C ATOM 0 H LEU A 39 -5.873 6.007 4.949 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.030 5.748 6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.526 6.401 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.184 6.454 3.754 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.930 7.965 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.842 9.965 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.247 8.719 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.994 8.893 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.739 9.364 6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.948 8.330 5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.907 7.659 6.519 1.00 0.00 H new ATOM 536 N LEU A 40 -8.733 3.528 3.812 1.00 0.00 N ATOM 537 CA LEU A 40 -9.373 2.226 3.679 1.00 0.00 C ATOM 538 C LEU A 40 -8.670 1.385 2.609 1.00 0.00 C ATOM 539 O LEU A 40 -9.316 0.779 1.756 1.00 0.00 O ATOM 540 CB LEU A 40 -10.894 2.387 3.477 1.00 0.00 C ATOM 541 CG LEU A 40 -11.383 3.418 2.463 1.00 0.00 C ATOM 542 CD1 LEU A 40 -11.016 3.096 1.011 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.904 3.579 2.573 1.00 0.00 C ATOM 0 H LEU A 40 -8.256 3.847 2.969 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.263 1.662 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.295 1.417 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.333 2.636 4.443 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.870 4.346 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.401 3.878 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.932 3.042 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.454 2.139 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.245 4.316 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.387 2.622 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.163 3.913 3.578 1.00 0.00 H new ATOM 554 N SER A 41 -7.331 1.367 2.600 1.00 0.00 N ATOM 555 CA SER A 41 -6.555 0.580 1.648 1.00 0.00 C ATOM 556 C SER A 41 -5.128 0.373 2.177 1.00 0.00 C ATOM 557 O SER A 41 -4.736 1.032 3.132 1.00 0.00 O ATOM 558 CB SER A 41 -6.517 1.264 0.273 1.00 0.00 C ATOM 559 OG SER A 41 -7.730 1.914 -0.084 1.00 0.00 O ATOM 0 H SER A 41 -6.760 1.900 3.256 1.00 0.00 H new ATOM 0 HA SER A 41 -7.037 -0.391 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.709 1.995 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.280 0.518 -0.486 1.00 0.00 H new ATOM 0 HG SER A 41 -8.490 1.394 0.250 1.00 0.00 H new ATOM 564 N CYS A 42 -4.340 -0.504 1.544 1.00 0.00 N ATOM 565 CA CYS A 42 -2.990 -0.842 1.999 1.00 0.00 C ATOM 566 C CYS A 42 -1.960 -0.320 1.006 1.00 0.00 C ATOM 567 O CYS A 42 -1.806 -0.840 -0.100 1.00 0.00 O ATOM 568 CB CYS A 42 -2.880 -2.365 2.193 1.00 0.00 C ATOM 569 SG CYS A 42 -1.985 -2.969 3.648 1.00 0.00 S ATOM 0 H CYS A 42 -4.624 -1.000 0.699 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.790 -0.365 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.891 -2.772 2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.400 -2.782 1.308 1.00 0.00 H new ATOM 573 N TYR A 43 -1.286 0.750 1.413 1.00 0.00 N ATOM 574 CA TYR A 43 -0.242 1.387 0.646 1.00 0.00 C ATOM 575 C TYR A 43 1.047 0.653 0.858 1.00 0.00 C ATOM 576 O TYR A 43 1.265 0.094 1.930 1.00 0.00 O ATOM 577 CB TYR A 43 0.001 2.792 1.179 1.00 0.00 C ATOM 578 CG TYR A 43 0.515 3.809 0.159 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.020 3.888 -1.143 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.641 4.594 0.469 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.551 4.754 -2.090 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.106 5.575 -0.427 1.00 0.00 C ATOM 583 CZ TYR A 43 1.514 5.693 -1.696 1.00 0.00 C ATOM 584 OH TYR A 43 1.868 6.661 -2.586 1.00 0.00 O ATOM 0 H TYR A 43 -1.461 1.204 2.310 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.546 1.395 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.932 3.167 1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.719 2.731 1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.871 3.281 -1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.155 4.442 1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.247 4.696 -3.125 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.913 6.233 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 43 2.246 7.426 -2.104 1.00 0.00 H new ATOM 593 N CYS A 44 1.929 0.769 -0.123 1.00 0.00 N ATOM 594 CA CYS A 44 3.262 0.284 -0.077 1.00 0.00 C ATOM 595 C CYS A 44 4.165 1.287 -0.785 1.00 0.00 C ATOM 596 O CYS A 44 3.669 2.079 -1.586 1.00 0.00 O ATOM 597 CB CYS A 44 3.212 -1.040 -0.772 1.00 0.00 C ATOM 598 SG CYS A 44 2.304 -2.312 0.119 1.00 0.00 S ATOM 0 H CYS A 44 1.705 1.229 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 44 3.660 0.164 0.930 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.756 -0.905 -1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.231 -1.388 -0.939 1.00 0.00 H new ATOM 602 N PHE A 45 5.473 1.238 -0.505 1.00 0.00 N ATOM 603 CA PHE A 45 6.515 2.024 -1.134 1.00 0.00 C ATOM 604 C PHE A 45 7.614 1.091 -1.638 1.00 0.00 C ATOM 605 O PHE A 45 8.379 0.569 -0.835 1.00 0.00 O ATOM 606 CB PHE A 45 7.111 3.013 -0.129 1.00 0.00 C ATOM 607 CG PHE A 45 6.194 4.122 0.351 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.279 3.843 1.376 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.396 5.456 -0.055 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.655 4.886 2.073 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.708 6.501 0.592 1.00 0.00 C ATOM 612 CZ PHE A 45 4.863 6.217 1.680 1.00 0.00 C ATOM 0 H PHE A 45 5.842 0.610 0.209 1.00 0.00 H new ATOM 0 HA PHE A 45 6.088 2.580 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.453 2.452 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.992 3.469 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.054 2.818 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.078 5.677 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.013 4.665 2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.829 7.519 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.376 7.021 2.211 1.00 0.00 H new ATOM 621 N GLY A 46 7.694 0.898 -2.955 1.00 0.00 N ATOM 622 CA GLY A 46 8.670 0.074 -3.651 1.00 0.00 C ATOM 623 C GLY A 46 8.042 -1.212 -4.197 1.00 0.00 C ATOM 624 O GLY A 46 8.635 -2.278 -4.068 1.00 0.00 O ATOM 0 H GLY A 46 7.038 1.341 -3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.106 0.643 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.483 -0.179 -2.971 1.00 0.00 H new ATOM 628 N LEU A 47 6.851 -1.144 -4.805 1.00 0.00 N ATOM 629 CA LEU A 47 6.144 -2.286 -5.337 1.00 0.00 C ATOM 630 C LEU A 47 6.832 -2.753 -6.610 1.00 0.00 C ATOM 631 O LEU A 47 6.323 -2.537 -7.701 1.00 0.00 O ATOM 632 CB LEU A 47 4.696 -1.878 -5.628 1.00 0.00 C ATOM 633 CG LEU A 47 3.993 -1.343 -4.378 1.00 0.00 C ATOM 634 CD1 LEU A 47 4.403 0.011 -3.914 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.490 -1.251 -4.604 1.00 0.00 C ATOM 0 H LEU A 47 6.351 -0.265 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 47 6.147 -3.105 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.683 -1.115 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.147 -2.737 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 47 4.287 -2.066 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.835 0.278 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.467 0.008 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.207 0.740 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.009 -0.869 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.288 -0.578 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.095 -2.241 -4.833 1.00 0.00 H new ATOM 646 N ASP A 48 8.004 -3.363 -6.474 1.00 0.00 N ATOM 647 CA ASP A 48 8.740 -3.905 -7.612 1.00 0.00 C ATOM 648 C ASP A 48 7.832 -4.855 -8.396 1.00 0.00 C ATOM 649 O ASP A 48 7.627 -4.717 -9.600 1.00 0.00 O ATOM 650 CB ASP A 48 10.017 -4.602 -7.133 1.00 0.00 C ATOM 651 CG ASP A 48 10.981 -4.753 -8.297 1.00 0.00 C ATOM 652 OD1 ASP A 48 10.595 -5.372 -9.310 1.00 0.00 O ATOM 653 OD2 ASP A 48 12.053 -4.119 -8.276 1.00 0.00 O ATOM 0 H ASP A 48 8.470 -3.496 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 48 9.043 -3.097 -8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.482 -4.023 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.776 -5.581 -6.718 1.00 0.00 H new ATOM 657 N ASP A 49 7.244 -5.768 -7.626 1.00 0.00 N ATOM 658 CA ASP A 49 6.208 -6.722 -7.989 1.00 0.00 C ATOM 659 C ASP A 49 5.065 -6.095 -8.805 1.00 0.00 C ATOM 660 O ASP A 49 4.870 -6.480 -9.955 1.00 0.00 O ATOM 661 CB ASP A 49 5.737 -7.304 -6.654 1.00 0.00 C ATOM 662 CG ASP A 49 4.612 -8.316 -6.715 1.00 0.00 C ATOM 663 OD1 ASP A 49 4.322 -8.904 -7.778 1.00 0.00 O ATOM 664 OD2 ASP A 49 4.039 -8.570 -5.633 1.00 0.00 O ATOM 0 H ASP A 49 7.507 -5.864 -6.645 1.00 0.00 H new ATOM 0 HA ASP A 49 6.590 -7.494 -8.657 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.591 -7.773 -6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.419 -6.479 -6.016 1.00 0.00 H new ATOM 668 N ASP A 50 4.318 -5.158 -8.194 1.00 0.00 N ATOM 669 CA ASP A 50 3.120 -4.475 -8.712 1.00 0.00 C ATOM 670 C ASP A 50 2.438 -5.227 -9.855 1.00 0.00 C ATOM 671 O ASP A 50 2.528 -4.921 -11.045 1.00 0.00 O ATOM 672 CB ASP A 50 3.424 -3.064 -9.160 1.00 0.00 C ATOM 673 CG ASP A 50 2.192 -2.226 -9.500 1.00 0.00 C ATOM 674 OD1 ASP A 50 1.071 -2.786 -9.547 1.00 0.00 O ATOM 675 OD2 ASP A 50 2.381 -0.998 -9.648 1.00 0.00 O ATOM 0 H ASP A 50 4.554 -4.835 -7.256 1.00 0.00 H new ATOM 0 HA ASP A 50 2.429 -4.448 -7.870 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.985 -2.560 -8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.072 -3.106 -10.036 1.00 0.00 H new ATOM 679 N LYS A 51 1.715 -6.230 -9.413 1.00 0.00 N ATOM 680 CA LYS A 51 0.832 -7.021 -10.249 1.00 0.00 C ATOM 681 C LYS A 51 -0.195 -6.108 -10.922 1.00 0.00 C ATOM 682 O LYS A 51 -0.428 -6.212 -12.124 1.00 0.00 O ATOM 683 CB LYS A 51 0.107 -8.092 -9.430 1.00 0.00 C ATOM 684 CG LYS A 51 1.053 -9.088 -8.740 1.00 0.00 C ATOM 685 CD LYS A 51 1.003 -8.940 -7.211 1.00 0.00 C ATOM 686 CE LYS A 51 1.320 -10.262 -6.497 1.00 0.00 C ATOM 687 NZ LYS A 51 2.756 -10.573 -6.550 1.00 0.00 N ATOM 0 H LYS A 51 1.723 -6.529 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 51 1.437 -7.520 -11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.507 -7.604 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.570 -8.641 -10.085 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.778 -10.106 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.073 -8.926 -9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.716 -8.178 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.014 -8.594 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.998 -10.201 -5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.754 -11.071 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.889 -11.604 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.162 -10.189 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.234 -10.146 -5.731 1.00 0.00 H new ATOM 697 N ALA A 52 -0.849 -5.260 -10.120 1.00 0.00 N ATOM 698 CA ALA A 52 -1.962 -4.429 -10.547 1.00 0.00 C ATOM 699 C ALA A 52 -2.422 -3.523 -9.410 1.00 0.00 C ATOM 700 O ALA A 52 -3.553 -3.651 -8.941 1.00 0.00 O ATOM 701 CB ALA A 52 -3.131 -5.324 -10.988 1.00 0.00 C ATOM 0 H ALA A 52 -0.608 -5.136 -9.137 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.634 -3.808 -11.381 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.966 -4.701 -11.308 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.812 -5.957 -11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.445 -5.950 -10.153 1.00 0.00 H new ATOM 707 N VAL A 53 -1.575 -2.588 -8.974 1.00 0.00 N ATOM 708 CA VAL A 53 -1.951 -1.688 -7.888 1.00 0.00 C ATOM 709 C VAL A 53 -3.288 -1.000 -8.157 1.00 0.00 C ATOM 710 O VAL A 53 -3.633 -0.681 -9.300 1.00 0.00 O ATOM 711 CB VAL A 53 -0.880 -0.634 -7.578 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.316 -1.299 -6.900 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.480 0.193 -8.804 1.00 0.00 C ATOM 0 H VAL A 53 -0.639 -2.437 -9.351 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.049 -2.325 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.310 0.089 -6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.075 -0.547 -6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.007 -1.769 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.736 -2.056 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.280 0.921 -8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.081 -0.467 -9.574 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.355 0.715 -9.192 1.00 0.00 H new ATOM 723 N LEU A 54 -4.042 -0.768 -7.085 1.00 0.00 N ATOM 724 CA LEU A 54 -5.289 -0.045 -7.160 1.00 0.00 C ATOM 725 C LEU A 54 -5.045 1.417 -7.488 1.00 0.00 C ATOM 726 O LEU A 54 -3.943 1.960 -7.418 1.00 0.00 O ATOM 727 CB LEU A 54 -6.109 -0.199 -5.879 1.00 0.00 C ATOM 728 CG LEU A 54 -7.078 -1.390 -5.960 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.392 -2.680 -6.411 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.703 -1.615 -4.585 1.00 0.00 C ATOM 0 H LEU A 54 -3.798 -1.080 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.876 -0.479 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.437 -0.334 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.672 0.716 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.835 -1.145 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.124 -3.487 -6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.959 -2.535 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.604 -2.939 -5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.392 -2.458 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.918 -1.828 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.245 -0.720 -4.281 1.00 0.00 H new ATOM 741 N LYS A 55 -6.147 2.009 -7.915 1.00 0.00 N ATOM 742 CA LYS A 55 -6.210 3.273 -8.607 1.00 0.00 C ATOM 743 C LYS A 55 -6.522 4.304 -7.536 1.00 0.00 C ATOM 744 O LYS A 55 -7.683 4.599 -7.261 1.00 0.00 O ATOM 745 CB LYS A 55 -7.240 3.196 -9.748 1.00 0.00 C ATOM 746 CG LYS A 55 -6.706 2.481 -11.007 1.00 0.00 C ATOM 747 CD LYS A 55 -6.082 1.106 -10.717 1.00 0.00 C ATOM 748 CE LYS A 55 -5.630 0.344 -11.969 1.00 0.00 C ATOM 749 NZ LYS A 55 -4.964 -0.928 -11.603 1.00 0.00 N ATOM 0 H LYS A 55 -7.068 1.594 -7.778 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.280 3.550 -9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.128 2.674 -9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.550 4.206 -10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.523 2.357 -11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.960 3.115 -11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.224 1.240 -10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.807 0.497 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.491 0.138 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.946 0.963 -12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.071 -1.016 -12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.766 -0.935 -10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.586 -1.727 -11.840 1.00 0.00 H new ATOM 759 N ILE A 56 -5.460 4.750 -6.862 1.00 0.00 N ATOM 760 CA ILE A 56 -5.547 5.639 -5.722 1.00 0.00 C ATOM 761 C ILE A 56 -6.448 6.835 -6.033 1.00 0.00 C ATOM 762 O ILE A 56 -6.442 7.376 -7.136 1.00 0.00 O ATOM 763 CB ILE A 56 -4.163 6.109 -5.216 1.00 0.00 C ATOM 764 CG1 ILE A 56 -2.953 5.473 -5.934 1.00 0.00 C ATOM 765 CG2 ILE A 56 -4.069 5.820 -3.720 1.00 0.00 C ATOM 766 CD1 ILE A 56 -1.610 5.848 -5.304 1.00 0.00 C ATOM 0 H ILE A 56 -4.503 4.494 -7.104 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.994 5.063 -4.912 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.105 7.175 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.062 4.388 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.955 5.783 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.098 6.146 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.859 6.358 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.183 4.750 -3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.802 5.368 -5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.481 6.930 -5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.589 5.514 -4.267 1.00 0.00 H new ATOM 777 N LYS A 57 -7.196 7.253 -5.017 1.00 0.00 N ATOM 778 CA LYS A 57 -7.964 8.472 -5.037 1.00 0.00 C ATOM 779 C LYS A 57 -6.958 9.564 -4.715 1.00 0.00 C ATOM 780 O LYS A 57 -6.133 9.384 -3.819 1.00 0.00 O ATOM 781 CB LYS A 57 -9.068 8.474 -3.979 1.00 0.00 C ATOM 782 CG LYS A 57 -9.817 7.140 -3.772 1.00 0.00 C ATOM 783 CD LYS A 57 -9.055 6.100 -2.921 1.00 0.00 C ATOM 784 CE LYS A 57 -9.670 5.836 -1.538 1.00 0.00 C ATOM 785 NZ LYS A 57 -8.780 5.023 -0.671 1.00 0.00 N ATOM 0 H LYS A 57 -7.280 6.735 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.460 8.604 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.629 8.772 -3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.797 9.238 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.776 7.347 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.032 6.704 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.012 5.160 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.028 6.439 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.880 6.787 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.624 5.322 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.928 5.288 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.999 4.014 -0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.788 5.197 -0.932 1.00 0.00 H new ATOM 795 N ASP A 58 -7.001 10.673 -5.434 1.00 0.00 N ATOM 796 CA ASP A 58 -5.813 11.511 -5.491 1.00 0.00 C ATOM 797 C ASP A 58 -5.593 12.217 -4.164 1.00 0.00 C ATOM 798 O ASP A 58 -4.528 12.156 -3.551 1.00 0.00 O ATOM 799 CB ASP A 58 -5.869 12.539 -6.615 1.00 0.00 C ATOM 800 CG ASP A 58 -4.448 13.027 -6.838 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.684 12.322 -7.534 1.00 0.00 O ATOM 802 OD2 ASP A 58 -4.032 14.010 -6.186 1.00 0.00 O ATOM 0 H ASP A 58 -7.806 11.005 -5.965 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.975 10.845 -5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.272 12.095 -7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.524 13.368 -6.348 1.00 0.00 H new ATOM 806 N ALA A 59 -6.671 12.828 -3.689 1.00 0.00 N ATOM 807 CA ALA A 59 -6.739 13.367 -2.343 1.00 0.00 C ATOM 808 C ALA A 59 -6.190 12.362 -1.328 1.00 0.00 C ATOM 809 O ALA A 59 -5.378 12.725 -0.475 1.00 0.00 O ATOM 810 CB ALA A 59 -8.175 13.777 -2.011 1.00 0.00 C ATOM 0 H ALA A 59 -7.524 12.963 -4.231 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.114 14.258 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.214 14.180 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.509 14.537 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.827 12.906 -2.080 1.00 0.00 H new ATOM 816 N THR A 60 -6.585 11.086 -1.434 1.00 0.00 N ATOM 817 CA THR A 60 -6.040 10.108 -0.513 1.00 0.00 C ATOM 818 C THR A 60 -4.585 9.765 -0.825 1.00 0.00 C ATOM 819 O THR A 60 -3.892 9.370 0.104 1.00 0.00 O ATOM 820 CB THR A 60 -6.920 8.868 -0.366 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.874 8.058 -1.516 1.00 0.00 O ATOM 822 CG2 THR A 60 -8.364 9.263 -0.038 1.00 0.00 C ATOM 0 H THR A 60 -7.250 10.728 -2.119 1.00 0.00 H new ATOM 0 HA THR A 60 -6.041 10.585 0.467 1.00 0.00 H new ATOM 0 HB THR A 60 -6.524 8.282 0.464 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.485 8.566 -2.258 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.973 8.365 0.062 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.385 9.822 0.898 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.763 9.884 -0.840 1.00 0.00 H new ATOM 830 N LYS A 61 -4.088 9.908 -2.065 1.00 0.00 N ATOM 831 CA LYS A 61 -2.674 9.747 -2.310 1.00 0.00 C ATOM 832 C LYS A 61 -1.939 10.785 -1.491 1.00 0.00 C ATOM 833 O LYS A 61 -1.053 10.463 -0.721 1.00 0.00 O ATOM 834 CB LYS A 61 -2.306 9.705 -3.809 1.00 0.00 C ATOM 835 CG LYS A 61 -2.143 10.877 -4.804 1.00 0.00 C ATOM 836 CD LYS A 61 -1.335 12.095 -4.354 1.00 0.00 C ATOM 837 CE LYS A 61 -0.615 12.798 -5.515 1.00 0.00 C ATOM 838 NZ LYS A 61 -1.556 13.341 -6.521 1.00 0.00 N ATOM 0 H LYS A 61 -4.645 10.131 -2.890 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.348 8.761 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.356 9.171 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.055 9.056 -4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.679 10.484 -5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.140 11.221 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.001 12.805 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.599 11.783 -3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.002 13.609 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.062 12.093 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.045 13.974 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.976 12.558 -7.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.309 13.873 -6.040 1.00 0.00 H new ATOM 848 N SER A 62 -2.372 12.035 -1.606 1.00 0.00 N ATOM 849 CA SER A 62 -1.773 13.134 -0.864 1.00 0.00 C ATOM 850 C SER A 62 -1.754 12.813 0.633 1.00 0.00 C ATOM 851 O SER A 62 -0.691 12.830 1.254 1.00 0.00 O ATOM 852 CB SER A 62 -2.497 14.451 -1.178 1.00 0.00 C ATOM 853 OG SER A 62 -1.803 15.551 -0.626 1.00 0.00 O ATOM 0 H SER A 62 -3.144 12.313 -2.213 1.00 0.00 H new ATOM 0 HA SER A 62 -0.737 13.262 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.583 14.575 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.511 14.418 -0.779 1.00 0.00 H new ATOM 0 HG SER A 62 -2.281 16.380 -0.839 1.00 0.00 H new ATOM 858 N TYR A 63 -2.916 12.461 1.195 1.00 0.00 N ATOM 859 CA TYR A 63 -2.995 12.072 2.597 1.00 0.00 C ATOM 860 C TYR A 63 -2.030 10.929 2.913 1.00 0.00 C ATOM 861 O TYR A 63 -1.352 10.944 3.939 1.00 0.00 O ATOM 862 CB TYR A 63 -4.426 11.655 2.962 1.00 0.00 C ATOM 863 CG TYR A 63 -4.579 11.267 4.424 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.031 12.103 5.417 1.00 0.00 C ATOM 865 CD2 TYR A 63 -4.947 9.950 4.766 1.00 0.00 C ATOM 866 CE1 TYR A 63 -3.618 11.559 6.643 1.00 0.00 C ATOM 867 CE2 TYR A 63 -4.535 9.405 5.996 1.00 0.00 C ATOM 868 CZ TYR A 63 -3.804 10.193 6.900 1.00 0.00 C ATOM 869 OH TYR A 63 -3.156 9.615 7.953 1.00 0.00 O ATOM 0 H TYR A 63 -3.807 12.439 0.699 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.710 12.939 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.106 12.477 2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.724 10.814 2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.929 13.163 5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.544 9.361 4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.158 12.192 7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.780 8.383 6.244 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.389 8.664 7.999 1.00 0.00 H new ATOM 878 N CYS A 64 -2.023 9.915 2.052 1.00 0.00 N ATOM 879 CA CYS A 64 -1.327 8.653 2.249 1.00 0.00 C ATOM 880 C CYS A 64 -0.085 8.520 1.364 1.00 0.00 C ATOM 881 O CYS A 64 0.184 7.411 0.901 1.00 0.00 O ATOM 882 CB CYS A 64 -2.287 7.476 2.010 1.00 0.00 C ATOM 883 SG CYS A 64 -3.666 7.323 3.161 1.00 0.00 S ATOM 0 H CYS A 64 -2.523 9.955 1.164 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.980 8.635 3.282 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.691 7.564 1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.710 6.552 2.043 1.00 0.00 H new ATOM 887 N ASP A 65 0.706 9.584 1.160 1.00 0.00 N ATOM 888 CA ASP A 65 2.001 9.491 0.484 1.00 0.00 C ATOM 889 C ASP A 65 3.116 10.149 1.295 1.00 0.00 C ATOM 890 O ASP A 65 4.052 9.485 1.739 1.00 0.00 O ATOM 891 CB ASP A 65 1.898 10.109 -0.907 1.00 0.00 C ATOM 892 CG ASP A 65 3.197 9.916 -1.665 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.350 8.810 -2.226 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.012 10.861 -1.650 1.00 0.00 O ATOM 0 H ASP A 65 0.464 10.529 1.459 1.00 0.00 H new ATOM 0 HA ASP A 65 2.262 8.437 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.076 9.650 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.671 11.172 -0.824 1.00 0.00 H new ATOM 898 N VAL A 66 2.992 11.459 1.525 1.00 0.00 N ATOM 899 CA VAL A 66 4.004 12.277 2.192 1.00 0.00 C ATOM 900 C VAL A 66 4.355 11.730 3.586 1.00 0.00 C ATOM 901 O VAL A 66 5.469 11.925 4.066 1.00 0.00 O ATOM 902 CB VAL A 66 3.521 13.742 2.249 1.00 0.00 C ATOM 903 CG1 VAL A 66 4.560 14.658 2.913 1.00 0.00 C ATOM 904 CG2 VAL A 66 3.240 14.284 0.839 1.00 0.00 C ATOM 0 H VAL A 66 2.167 11.990 1.246 1.00 0.00 H new ATOM 0 HA VAL A 66 4.927 12.237 1.613 1.00 0.00 H new ATOM 0 HB VAL A 66 2.606 13.742 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.183 15.681 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.746 14.319 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.490 14.626 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.901 15.318 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.152 14.240 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.467 13.680 0.364 1.00 0.00 H new ATOM 914 N GLN A 67 3.401 11.031 4.207 1.00 0.00 N ATOM 915 CA GLN A 67 3.432 10.321 5.472 1.00 0.00 C ATOM 916 C GLN A 67 4.834 10.008 5.987 1.00 0.00 C ATOM 917 O GLN A 67 5.228 10.458 7.060 1.00 0.00 O ATOM 918 CB GLN A 67 2.652 9.026 5.221 1.00 0.00 C ATOM 919 CG GLN A 67 1.139 9.261 5.254 1.00 0.00 C ATOM 920 CD GLN A 67 0.549 9.508 6.599 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.066 9.137 7.647 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.650 10.039 6.502 1.00 0.00 N ATOM 0 H GLN A 67 2.481 10.944 3.775 1.00 0.00 H new ATOM 0 HA GLN A 67 2.998 10.947 6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.935 8.612 4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.922 8.287 5.975 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.909 10.114 4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.646 8.393 4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.010 10.323 5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.220 10.167 7.338 1.00 0.00 H new ATOM 929 N ILE A 68 5.571 9.189 5.239 1.00 0.00 N ATOM 930 CA ILE A 68 6.836 8.644 5.688 1.00 0.00 C ATOM 931 C ILE A 68 7.905 9.737 5.814 1.00 0.00 C ATOM 932 O ILE A 68 8.807 9.628 6.642 1.00 0.00 O ATOM 933 CB ILE A 68 7.231 7.509 4.741 1.00 0.00 C ATOM 934 CG1 ILE A 68 6.167 6.399 4.715 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.587 6.923 5.113 1.00 0.00 C ATOM 936 CD1 ILE A 68 5.767 5.752 6.050 1.00 0.00 C ATOM 0 H ILE A 68 5.301 8.888 4.303 1.00 0.00 H new ATOM 0 HA ILE A 68 6.739 8.232 6.693 1.00 0.00 H new ATOM 0 HB ILE A 68 7.302 7.939 3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.266 6.811 4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.525 5.609 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.838 6.119 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.348 7.702 5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.547 6.528 6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.009 4.989 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.643 5.294 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.365 6.514 6.717 1.00 0.00 H new ATOM 947 N ILE A 69 7.824 10.799 5.008 1.00 0.00 N ATOM 948 CA ILE A 69 8.790 11.885 5.054 1.00 0.00 C ATOM 949 C ILE A 69 8.630 12.614 6.392 1.00 0.00 C ATOM 950 O ILE A 69 8.119 13.731 6.464 1.00 0.00 O ATOM 951 CB ILE A 69 8.636 12.804 3.823 1.00 0.00 C ATOM 952 CG1 ILE A 69 8.550 12.026 2.493 1.00 0.00 C ATOM 953 CG2 ILE A 69 9.783 13.825 3.757 1.00 0.00 C ATOM 954 CD1 ILE A 69 9.732 11.088 2.226 1.00 0.00 C ATOM 0 H ILE A 69 7.090 10.924 4.311 1.00 0.00 H new ATOM 0 HA ILE A 69 9.810 11.504 5.002 1.00 0.00 H new ATOM 0 HB ILE A 69 7.688 13.326 3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.630 11.441 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.478 12.741 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.654 14.462 2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.775 14.440 4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.735 13.299 3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.587 10.583 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.655 11.666 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.795 10.346 3.022 1.00 0.00 H new