USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 741 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 48:sc= 0.476 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -10.2! C(o=-10!,f=-26!) USER MOD Single : A 19 TYR OH : rot 130:sc= -3.65! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 130:sc= -1.57 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0136 X(o=-0.014,f=0.028) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -84:sc= -0.114! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 76:sc= 0.984 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -110:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.33 K(o=-0.33,f=-2!) USER MOD Single : A 82 CYS SG : rot -114:sc= -1.22 USER MOD Single : A 84 GLN : amide:sc= -0.541 K(o=-0.54,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -140:sc= 0 USER MOD Single : A 95 SER OG : rot -44:sc= 0.822 USER MOD Single : A 104 HIS : no HD1:sc=-0.00119 X(o=-0.0012,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 -1.595 -1.254 -5.109 1.00 0.00 N ATOM 32 CA LEU A 9 -3.023 -1.380 -4.867 1.00 0.00 C ATOM 33 C LEU A 9 -3.286 -2.641 -4.042 1.00 0.00 C ATOM 34 O LEU A 9 -4.106 -2.627 -3.125 1.00 0.00 O ATOM 35 CB LEU A 9 -3.795 -1.337 -6.187 1.00 0.00 C ATOM 36 CG LEU A 9 -3.254 -0.379 -7.251 1.00 0.00 C ATOM 37 CD1 LEU A 9 -4.257 -0.202 -8.392 1.00 0.00 C ATOM 38 CD2 LEU A 9 -2.850 0.959 -6.629 1.00 0.00 C ATOM 0 HA LEU A 9 -3.387 -0.535 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.813 -2.343 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.828 -1.063 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.354 -0.819 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.847 0.483 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.451 -1.168 -8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.188 0.205 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.469 1.621 -7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.718 1.417 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.074 0.793 -5.881 1.00 0.00 H new ATOM 50 N THR A 10 -2.576 -3.702 -4.397 1.00 0.00 N ATOM 51 CA THR A 10 -2.723 -4.968 -3.700 1.00 0.00 C ATOM 52 C THR A 10 -2.460 -4.787 -2.204 1.00 0.00 C ATOM 53 O THR A 10 -3.161 -5.364 -1.373 1.00 0.00 O ATOM 54 CB THR A 10 -1.789 -5.983 -4.363 1.00 0.00 C ATOM 55 OG1 THR A 10 -1.674 -7.028 -3.400 1.00 0.00 O ATOM 56 CG2 THR A 10 -0.361 -5.455 -4.512 1.00 0.00 C ATOM 0 H THR A 10 -1.897 -3.711 -5.158 1.00 0.00 H new ATOM 0 HA THR A 10 -3.743 -5.345 -3.775 1.00 0.00 H new ATOM 0 HB THR A 10 -2.181 -6.250 -5.344 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.086 -7.731 -3.748 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.260 -6.214 -4.988 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.368 -4.555 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.044 -5.219 -3.528 1.00 0.00 H new ATOM 64 N GLN A 11 -1.449 -3.984 -1.906 1.00 0.00 N ATOM 65 CA GLN A 11 -1.086 -3.720 -0.524 1.00 0.00 C ATOM 66 C GLN A 11 -2.065 -2.725 0.102 1.00 0.00 C ATOM 67 O GLN A 11 -2.420 -2.851 1.272 1.00 0.00 O ATOM 68 CB GLN A 11 0.353 -3.211 -0.424 1.00 0.00 C ATOM 69 CG GLN A 11 1.317 -4.351 -0.090 1.00 0.00 C ATOM 70 CD GLN A 11 2.459 -3.861 0.802 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.534 -3.512 0.342 1.00 0.00 O ATOM 72 NE2 GLN A 11 2.168 -3.854 2.099 1.00 0.00 N ATOM 0 H GLN A 11 -0.870 -3.508 -2.598 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.146 -4.656 0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.645 -2.748 -1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.417 -2.440 0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.777 -5.153 0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.724 -4.769 -1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.248 -4.159 2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.865 -3.543 2.776 1.00 0.00 H new ATOM 81 N LEU A 12 -2.473 -1.758 -0.707 1.00 0.00 N ATOM 82 CA LEU A 12 -3.404 -0.741 -0.247 1.00 0.00 C ATOM 83 C LEU A 12 -4.512 -1.404 0.573 1.00 0.00 C ATOM 84 O LEU A 12 -4.874 -0.917 1.643 1.00 0.00 O ATOM 85 CB LEU A 12 -3.922 0.084 -1.427 1.00 0.00 C ATOM 86 CG LEU A 12 -4.142 1.574 -1.158 1.00 0.00 C ATOM 87 CD1 LEU A 12 -4.611 1.808 0.279 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.886 2.382 -1.490 1.00 0.00 C ATOM 0 H LEU A 12 -2.176 -1.657 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.900 -0.033 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.217 -0.016 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.866 -0.348 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.935 1.927 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.760 2.875 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.550 1.281 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.858 1.435 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.069 3.438 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.056 2.035 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.636 2.250 -2.543 1.00 0.00 H new ATOM 100 N SER A 13 -5.020 -2.506 0.041 1.00 0.00 N ATOM 101 CA SER A 13 -6.080 -3.241 0.710 1.00 0.00 C ATOM 102 C SER A 13 -6.311 -4.581 0.009 1.00 0.00 C ATOM 103 O SER A 13 -7.415 -4.860 -0.457 1.00 0.00 O ATOM 104 CB SER A 13 -7.376 -2.429 0.745 1.00 0.00 C ATOM 105 OG SER A 13 -7.574 -1.792 2.004 1.00 0.00 O ATOM 0 H SER A 13 -4.717 -2.908 -0.846 1.00 0.00 H new ATOM 0 HA SER A 13 -5.771 -3.426 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.353 -1.676 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.220 -3.085 0.534 1.00 0.00 H new ATOM 0 HG SER A 13 -6.751 -1.332 2.271 1.00 0.00 H new ATOM 111 N SER A 14 -5.252 -5.375 -0.044 1.00 0.00 N ATOM 112 CA SER A 14 -5.326 -6.679 -0.680 1.00 0.00 C ATOM 113 C SER A 14 -5.822 -6.532 -2.119 1.00 0.00 C ATOM 114 O SER A 14 -6.326 -7.488 -2.707 1.00 0.00 O ATOM 115 CB SER A 14 -6.240 -7.624 0.103 1.00 0.00 C ATOM 116 OG SER A 14 -5.536 -8.759 0.600 1.00 0.00 O ATOM 0 H SER A 14 -4.338 -5.140 0.343 1.00 0.00 H new ATOM 0 HA SER A 14 -4.325 -7.111 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.691 -7.084 0.936 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.055 -7.956 -0.541 1.00 0.00 H new ATOM 0 HG SER A 14 -6.154 -9.336 1.095 1.00 0.00 H new ATOM 122 N GLY A 15 -5.664 -5.326 -2.646 1.00 0.00 N ATOM 123 CA GLY A 15 -6.090 -5.042 -4.005 1.00 0.00 C ATOM 124 C GLY A 15 -7.617 -5.037 -4.112 1.00 0.00 C ATOM 125 O GLY A 15 -8.185 -5.706 -4.973 1.00 0.00 O ATOM 0 H GLY A 15 -5.247 -4.535 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.697 -4.075 -4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.677 -5.789 -4.683 1.00 0.00 H new ATOM 129 N ASN A 16 -8.237 -4.274 -3.224 1.00 0.00 N ATOM 130 CA ASN A 16 -9.687 -4.173 -3.207 1.00 0.00 C ATOM 131 C ASN A 16 -10.145 -3.278 -4.360 1.00 0.00 C ATOM 132 O ASN A 16 -9.676 -2.149 -4.498 1.00 0.00 O ATOM 133 CB ASN A 16 -10.180 -3.550 -1.900 1.00 0.00 C ATOM 134 CG ASN A 16 -11.694 -3.715 -1.751 1.00 0.00 C ATOM 135 OD1 ASN A 16 -12.455 -3.584 -2.696 1.00 0.00 O ATOM 136 ND2 ASN A 16 -12.087 -4.008 -0.515 1.00 0.00 N ATOM 0 H ASN A 16 -7.762 -3.720 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.096 -5.179 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.675 -4.019 -1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.922 -2.491 -1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.078 -4.137 -0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.397 -4.103 0.230 1.00 0.00 H new ATOM 143 N PRO A 17 -11.079 -3.829 -5.180 1.00 0.00 N ATOM 144 CA PRO A 17 -11.606 -3.093 -6.316 1.00 0.00 C ATOM 145 C PRO A 17 -12.591 -2.014 -5.862 1.00 0.00 C ATOM 146 O PRO A 17 -13.146 -1.289 -6.686 1.00 0.00 O ATOM 147 CB PRO A 17 -12.247 -4.147 -7.204 1.00 0.00 C ATOM 148 CG PRO A 17 -12.466 -5.362 -6.318 1.00 0.00 C ATOM 149 CD PRO A 17 -11.657 -5.163 -5.046 1.00 0.00 C ATOM 0 HA PRO A 17 -10.834 -2.549 -6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.191 -3.789 -7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.602 -4.391 -8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.524 -5.478 -6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -12.152 -6.271 -6.832 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.288 -5.234 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.882 -5.923 -4.947 1.00 0.00 H new ATOM 157 N VAL A 18 -12.778 -1.942 -4.552 1.00 0.00 N ATOM 158 CA VAL A 18 -13.686 -0.963 -3.978 1.00 0.00 C ATOM 159 C VAL A 18 -13.215 0.444 -4.351 1.00 0.00 C ATOM 160 O VAL A 18 -14.015 1.281 -4.765 1.00 0.00 O ATOM 161 CB VAL A 18 -13.797 -1.176 -2.467 1.00 0.00 C ATOM 162 CG1 VAL A 18 -12.435 -1.018 -1.790 1.00 0.00 C ATOM 163 CG2 VAL A 18 -14.828 -0.225 -1.855 1.00 0.00 C ATOM 0 H VAL A 18 -12.316 -2.546 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.689 -1.088 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.139 -2.197 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.542 -1.174 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.739 -1.752 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.051 -0.014 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.888 -0.396 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.528 0.806 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.803 -0.406 -2.306 1.00 0.00 H new ATOM 173 N TYR A 19 -11.917 0.661 -4.191 1.00 0.00 N ATOM 174 CA TYR A 19 -11.330 1.952 -4.505 1.00 0.00 C ATOM 175 C TYR A 19 -11.400 2.235 -6.007 1.00 0.00 C ATOM 176 O TYR A 19 -11.554 3.384 -6.419 1.00 0.00 O ATOM 177 CB TYR A 19 -9.862 1.861 -4.083 1.00 0.00 C ATOM 178 CG TYR A 19 -9.611 2.230 -2.620 1.00 0.00 C ATOM 179 CD1 TYR A 19 -10.648 2.187 -1.710 1.00 0.00 C ATOM 180 CD2 TYR A 19 -8.348 2.607 -2.210 1.00 0.00 C ATOM 181 CE1 TYR A 19 -10.412 2.534 -0.332 1.00 0.00 C ATOM 182 CE2 TYR A 19 -8.112 2.954 -0.832 1.00 0.00 C ATOM 183 CZ TYR A 19 -9.156 2.901 0.038 1.00 0.00 C ATOM 184 OH TYR A 19 -8.933 3.228 1.339 1.00 0.00 O ATOM 0 H TYR A 19 -11.256 -0.036 -3.848 1.00 0.00 H new ATOM 0 HA TYR A 19 -11.864 2.752 -3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.507 0.845 -4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.270 2.519 -4.720 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.636 1.893 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.537 2.642 -2.922 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.214 2.503 0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.129 3.249 -0.497 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.154 2.735 1.671 1.00 0.00 H new ATOM 194 N GLU A 20 -11.283 1.168 -6.784 1.00 0.00 N ATOM 195 CA GLU A 20 -11.332 1.288 -8.231 1.00 0.00 C ATOM 196 C GLU A 20 -12.634 1.963 -8.665 1.00 0.00 C ATOM 197 O GLU A 20 -12.651 2.723 -9.632 1.00 0.00 O ATOM 198 CB GLU A 20 -11.174 -0.080 -8.900 1.00 0.00 C ATOM 199 CG GLU A 20 -9.767 -0.250 -9.475 1.00 0.00 C ATOM 200 CD GLU A 20 -9.765 -0.047 -10.991 1.00 0.00 C ATOM 201 OE1 GLU A 20 -10.813 -0.195 -11.638 1.00 0.00 O ATOM 202 OE2 GLU A 20 -8.624 0.278 -11.497 1.00 0.00 O ATOM 0 H GLU A 20 -11.154 0.217 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.498 1.912 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.372 -0.869 -8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.911 -0.187 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.091 0.466 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.391 -1.245 -9.237 1.00 0.00 H new ATOM 210 N LYS A 21 -13.693 1.662 -7.929 1.00 0.00 N ATOM 211 CA LYS A 21 -14.997 2.231 -8.225 1.00 0.00 C ATOM 212 C LYS A 21 -14.906 3.757 -8.175 1.00 0.00 C ATOM 213 O LYS A 21 -15.442 4.443 -9.044 1.00 0.00 O ATOM 214 CB LYS A 21 -16.061 1.647 -7.294 1.00 0.00 C ATOM 215 CG LYS A 21 -16.480 2.666 -6.232 1.00 0.00 C ATOM 216 CD LYS A 21 -17.491 2.059 -5.258 1.00 0.00 C ATOM 217 CE LYS A 21 -18.491 3.113 -4.779 1.00 0.00 C ATOM 218 NZ LYS A 21 -19.630 3.213 -5.720 1.00 0.00 N ATOM 0 H LYS A 21 -13.675 1.031 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.309 1.963 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.932 1.344 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.673 0.751 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.602 3.007 -5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.915 3.541 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.024 1.241 -5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.967 1.634 -4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.855 2.853 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.996 4.080 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.299 3.933 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.280 3.483 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -20.112 2.293 -5.781 1.00 0.00 H new ATOM 229 N TYR A 22 -14.224 4.244 -7.148 1.00 0.00 N ATOM 230 CA TYR A 22 -14.057 5.676 -6.973 1.00 0.00 C ATOM 231 C TYR A 22 -13.034 6.234 -7.965 1.00 0.00 C ATOM 232 O TYR A 22 -13.305 7.215 -8.656 1.00 0.00 O ATOM 233 CB TYR A 22 -13.526 5.868 -5.551 1.00 0.00 C ATOM 234 CG TYR A 22 -14.498 5.417 -4.458 1.00 0.00 C ATOM 235 CD1 TYR A 22 -15.428 6.302 -3.953 1.00 0.00 C ATOM 236 CD2 TYR A 22 -14.444 4.124 -3.978 1.00 0.00 C ATOM 237 CE1 TYR A 22 -16.342 5.878 -2.925 1.00 0.00 C ATOM 238 CE2 TYR A 22 -15.359 3.699 -2.950 1.00 0.00 C ATOM 239 CZ TYR A 22 -16.263 4.597 -2.474 1.00 0.00 C ATOM 240 OH TYR A 22 -17.126 4.196 -1.503 1.00 0.00 O ATOM 0 H TYR A 22 -13.781 3.672 -6.429 1.00 0.00 H new ATOM 0 HA TYR A 22 -15.000 6.195 -7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -12.593 5.314 -5.445 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -13.290 6.922 -5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -15.470 7.313 -4.329 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -13.716 3.431 -4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -17.074 6.561 -2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -15.328 2.690 -2.566 1.00 0.00 H new ATOM 0 HH TYR A 22 -17.553 3.356 -1.771 1.00 0.00 H new ATOM 250 N TYR A 23 -11.880 5.584 -8.005 1.00 0.00 N ATOM 251 CA TYR A 23 -10.816 6.003 -8.901 1.00 0.00 C ATOM 252 C TYR A 23 -11.338 6.179 -10.328 1.00 0.00 C ATOM 253 O TYR A 23 -10.752 6.914 -11.121 1.00 0.00 O ATOM 254 CB TYR A 23 -9.783 4.874 -8.885 1.00 0.00 C ATOM 255 CG TYR A 23 -8.897 4.824 -10.131 1.00 0.00 C ATOM 256 CD1 TYR A 23 -9.392 4.302 -11.309 1.00 0.00 C ATOM 257 CD2 TYR A 23 -7.603 5.300 -10.078 1.00 0.00 C ATOM 258 CE1 TYR A 23 -8.559 4.254 -12.482 1.00 0.00 C ATOM 259 CE2 TYR A 23 -6.769 5.252 -11.251 1.00 0.00 C ATOM 260 CZ TYR A 23 -7.288 4.731 -12.395 1.00 0.00 C ATOM 261 OH TYR A 23 -6.501 4.686 -13.503 1.00 0.00 O ATOM 0 H TYR A 23 -11.659 4.770 -7.431 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.398 6.958 -8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -9.149 4.988 -8.005 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.303 3.921 -8.783 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.405 3.929 -11.351 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.215 5.709 -9.156 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.935 3.849 -13.410 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.755 5.621 -11.223 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.620 5.061 -13.294 1.00 0.00 H new ATOM 271 N ARG A 24 -12.436 5.492 -10.612 1.00 0.00 N ATOM 272 CA ARG A 24 -13.044 5.564 -11.929 1.00 0.00 C ATOM 273 C ARG A 24 -14.093 6.677 -11.970 1.00 0.00 C ATOM 274 O ARG A 24 -14.388 7.218 -13.034 1.00 0.00 O ATOM 275 CB ARG A 24 -13.704 4.236 -12.304 1.00 0.00 C ATOM 276 CG ARG A 24 -13.863 4.111 -13.821 1.00 0.00 C ATOM 277 CD ARG A 24 -13.170 2.850 -14.343 1.00 0.00 C ATOM 278 NE ARG A 24 -14.182 1.845 -14.739 1.00 0.00 N ATOM 279 CZ ARG A 24 -14.893 1.898 -15.885 1.00 0.00 C ATOM 280 NH1 ARG A 24 -14.709 2.909 -16.759 1.00 0.00 N ATOM 281 NH2 ARG A 24 -15.771 0.945 -16.137 1.00 0.00 N ATOM 0 H ARG A 24 -12.920 4.883 -9.952 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.253 5.779 -12.648 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -13.102 3.408 -11.928 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -14.681 4.163 -11.825 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.922 4.081 -14.078 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.441 4.990 -14.308 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.539 3.098 -15.196 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.518 2.438 -13.573 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.353 1.063 -14.106 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.028 3.641 -16.556 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.251 2.941 -17.623 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.903 0.184 -15.470 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.317 0.969 -16.998 1.00 0.00 H new ATOM 294 N GLN A 25 -14.629 6.984 -10.798 1.00 0.00 N ATOM 295 CA GLN A 25 -15.639 8.023 -10.686 1.00 0.00 C ATOM 296 C GLN A 25 -15.066 9.371 -11.127 1.00 0.00 C ATOM 297 O GLN A 25 -15.746 10.151 -11.791 1.00 0.00 O ATOM 298 CB GLN A 25 -16.189 8.101 -9.260 1.00 0.00 C ATOM 299 CG GLN A 25 -17.417 7.202 -9.097 1.00 0.00 C ATOM 300 CD GLN A 25 -18.508 7.905 -8.287 1.00 0.00 C ATOM 301 OE1 GLN A 25 -19.605 8.153 -8.760 1.00 0.00 O ATOM 302 NE2 GLN A 25 -18.147 8.213 -7.045 1.00 0.00 N ATOM 0 H GLN A 25 -14.383 6.532 -9.918 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.468 7.769 -11.347 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -15.417 7.801 -8.552 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -16.454 9.132 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.806 6.930 -10.078 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.130 6.275 -8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.212 7.977 -6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.805 8.686 -6.425 1.00 0.00 H new ATOM 311 N VAL A 26 -13.820 9.603 -10.739 1.00 0.00 N ATOM 312 CA VAL A 26 -13.148 10.844 -11.086 1.00 0.00 C ATOM 313 C VAL A 26 -12.712 10.790 -12.552 1.00 0.00 C ATOM 314 O VAL A 26 -12.834 11.777 -13.276 1.00 0.00 O ATOM 315 CB VAL A 26 -11.983 11.094 -10.126 1.00 0.00 C ATOM 316 CG1 VAL A 26 -12.283 10.520 -8.739 1.00 0.00 C ATOM 317 CG2 VAL A 26 -10.679 10.524 -10.685 1.00 0.00 C ATOM 0 H VAL A 26 -13.259 8.953 -10.188 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.828 11.689 -10.979 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.859 12.172 -10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.439 10.711 -8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.177 10.994 -8.335 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.447 9.445 -8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.868 10.716 -9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.785 9.449 -10.832 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.453 11.000 -11.639 1.00 0.00 H new ATOM 327 N GLU A 27 -12.214 9.627 -12.946 1.00 0.00 N ATOM 328 CA GLU A 27 -11.759 9.432 -14.312 1.00 0.00 C ATOM 329 C GLU A 27 -12.791 9.984 -15.298 1.00 0.00 C ATOM 330 O GLU A 27 -13.994 9.841 -15.088 1.00 0.00 O ATOM 331 CB GLU A 27 -11.472 7.955 -14.589 1.00 0.00 C ATOM 332 CG GLU A 27 -10.994 7.749 -16.027 1.00 0.00 C ATOM 333 CD GLU A 27 -11.959 6.849 -16.802 1.00 0.00 C ATOM 334 OE1 GLU A 27 -11.848 5.616 -16.732 1.00 0.00 O ATOM 335 OE2 GLU A 27 -12.850 7.473 -17.495 1.00 0.00 O ATOM 0 H GLU A 27 -12.116 8.810 -12.343 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.827 9.980 -14.446 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.714 7.592 -13.895 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.373 7.367 -14.414 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.909 8.714 -16.528 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.999 7.303 -16.023 1.00 0.00 H new ATOM 343 N ALA A 28 -12.281 10.603 -16.353 1.00 0.00 N ATOM 344 CA ALA A 28 -13.143 11.177 -17.373 1.00 0.00 C ATOM 345 C ALA A 28 -12.796 10.565 -18.732 1.00 0.00 C ATOM 346 O ALA A 28 -11.631 10.290 -19.013 1.00 0.00 O ATOM 347 CB ALA A 28 -12.999 12.700 -17.365 1.00 0.00 C ATOM 0 H ALA A 28 -11.282 10.720 -16.524 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.188 10.947 -17.166 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.645 13.131 -18.130 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.286 13.087 -16.387 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.963 12.969 -17.572 1.00 0.00 H new ATOM 353 N GLY A 29 -13.829 10.369 -19.538 1.00 0.00 N ATOM 354 CA GLY A 29 -13.648 9.795 -20.860 1.00 0.00 C ATOM 355 C GLY A 29 -13.621 8.267 -20.795 1.00 0.00 C ATOM 356 O GLY A 29 -13.906 7.681 -19.752 1.00 0.00 O ATOM 0 H GLY A 29 -14.794 10.598 -19.301 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.456 10.120 -21.515 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.718 10.161 -21.295 1.00 0.00 H new ATOM 360 N ASN A 30 -13.276 7.665 -21.924 1.00 0.00 N ATOM 361 CA ASN A 30 -13.208 6.216 -22.009 1.00 0.00 C ATOM 362 C ASN A 30 -11.799 5.800 -22.437 1.00 0.00 C ATOM 363 O ASN A 30 -11.637 4.996 -23.354 1.00 0.00 O ATOM 364 CB ASN A 30 -14.196 5.677 -23.046 1.00 0.00 C ATOM 365 CG ASN A 30 -14.797 4.346 -22.591 1.00 0.00 C ATOM 366 OD1 ASN A 30 -14.105 3.364 -22.378 1.00 0.00 O ATOM 367 ND2 ASN A 30 -16.119 4.368 -22.455 1.00 0.00 N ATOM 0 H ASN A 30 -13.041 8.154 -22.787 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.457 5.809 -21.029 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.992 6.404 -23.207 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.689 5.543 -24.002 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.615 3.528 -22.156 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.638 5.224 -22.650 1.00 0.00 H new ATOM 374 N THR A 31 -10.816 6.366 -21.752 1.00 0.00 N ATOM 375 CA THR A 31 -9.426 6.064 -22.051 1.00 0.00 C ATOM 376 C THR A 31 -8.822 5.191 -20.949 1.00 0.00 C ATOM 377 O THR A 31 -7.910 4.406 -21.204 1.00 0.00 O ATOM 378 CB THR A 31 -8.687 7.388 -22.251 1.00 0.00 C ATOM 379 OG1 THR A 31 -8.970 8.126 -21.065 1.00 0.00 O ATOM 380 CG2 THR A 31 -9.296 8.235 -23.371 1.00 0.00 C ATOM 0 H THR A 31 -10.954 7.032 -20.991 1.00 0.00 H new ATOM 0 HA THR A 31 -9.336 5.483 -22.969 1.00 0.00 H new ATOM 0 HB THR A 31 -7.639 7.189 -22.475 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.527 8.999 -21.110 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.734 9.164 -23.471 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.254 7.682 -24.309 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.334 8.463 -23.131 1.00 0.00 H new ATOM 388 N GLY A 32 -9.354 5.359 -19.747 1.00 0.00 N ATOM 389 CA GLY A 32 -8.878 4.597 -18.605 1.00 0.00 C ATOM 390 C GLY A 32 -7.756 5.341 -17.878 1.00 0.00 C ATOM 391 O GLY A 32 -6.900 4.719 -17.250 1.00 0.00 O ATOM 0 H GLY A 32 -10.110 6.012 -19.539 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.703 4.413 -17.917 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.518 3.624 -18.938 1.00 0.00 H new ATOM 395 N ARG A 33 -7.798 6.660 -17.986 1.00 0.00 N ATOM 396 CA ARG A 33 -6.795 7.496 -17.347 1.00 0.00 C ATOM 397 C ARG A 33 -7.467 8.595 -16.523 1.00 0.00 C ATOM 398 O ARG A 33 -8.502 9.129 -16.920 1.00 0.00 O ATOM 399 CB ARG A 33 -5.871 8.138 -18.384 1.00 0.00 C ATOM 400 CG ARG A 33 -4.671 7.236 -18.682 1.00 0.00 C ATOM 401 CD ARG A 33 -3.893 7.744 -19.898 1.00 0.00 C ATOM 402 NE ARG A 33 -2.974 6.691 -20.385 1.00 0.00 N ATOM 403 CZ ARG A 33 -2.139 6.842 -21.435 1.00 0.00 C ATOM 404 NH1 ARG A 33 -2.101 8.006 -22.119 1.00 0.00 N ATOM 405 NH2 ARG A 33 -1.361 5.835 -21.784 1.00 0.00 N ATOM 0 H ARG A 33 -8.511 7.171 -18.506 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.200 6.859 -16.692 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.426 8.327 -19.303 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.523 9.104 -18.018 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.013 7.201 -17.814 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.013 6.217 -18.864 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.585 8.029 -20.690 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.328 8.637 -19.632 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.971 5.795 -19.897 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.706 8.779 -21.843 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.467 8.112 -22.911 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.396 4.959 -21.263 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.724 5.933 -22.575 1.00 0.00 H new ATOM 418 N VAL A 34 -6.853 8.901 -15.389 1.00 0.00 N ATOM 419 CA VAL A 34 -7.379 9.927 -14.506 1.00 0.00 C ATOM 420 C VAL A 34 -6.851 11.293 -14.947 1.00 0.00 C ATOM 421 O VAL A 34 -5.647 11.543 -14.897 1.00 0.00 O ATOM 422 CB VAL A 34 -7.034 9.593 -13.053 1.00 0.00 C ATOM 423 CG1 VAL A 34 -7.600 10.647 -12.099 1.00 0.00 C ATOM 424 CG2 VAL A 34 -7.528 8.194 -12.679 1.00 0.00 C ATOM 0 H VAL A 34 -5.996 8.456 -15.062 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.467 9.964 -14.568 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.948 9.602 -12.957 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.341 10.386 -11.073 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.179 11.622 -12.343 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.685 10.685 -12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.270 7.982 -11.641 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.610 8.146 -12.801 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.057 7.456 -13.328 1.00 0.00 H new ATOM 434 N LEU A 35 -7.777 12.142 -15.368 1.00 0.00 N ATOM 435 CA LEU A 35 -7.420 13.477 -15.817 1.00 0.00 C ATOM 436 C LEU A 35 -6.849 14.271 -14.640 1.00 0.00 C ATOM 437 O LEU A 35 -6.303 15.357 -14.827 1.00 0.00 O ATOM 438 CB LEU A 35 -8.615 14.153 -16.493 1.00 0.00 C ATOM 439 CG LEU A 35 -8.496 14.373 -18.002 1.00 0.00 C ATOM 440 CD1 LEU A 35 -9.803 14.916 -18.582 1.00 0.00 C ATOM 441 CD2 LEU A 35 -7.304 15.275 -18.332 1.00 0.00 C ATOM 0 H LEU A 35 -8.774 11.931 -15.408 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.640 13.427 -16.577 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.503 13.551 -16.303 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.777 15.120 -16.017 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.311 13.408 -18.474 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.691 15.063 -19.656 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.607 14.204 -18.395 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.044 15.868 -18.108 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.242 15.416 -19.411 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.435 16.242 -17.847 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.386 14.810 -17.973 1.00 0.00 H new ATOM 453 N ALA A 36 -6.995 13.698 -13.455 1.00 0.00 N ATOM 454 CA ALA A 36 -6.500 14.338 -12.248 1.00 0.00 C ATOM 455 C ALA A 36 -7.470 15.446 -11.830 1.00 0.00 C ATOM 456 O ALA A 36 -7.957 15.456 -10.701 1.00 0.00 O ATOM 457 CB ALA A 36 -5.084 14.864 -12.492 1.00 0.00 C ATOM 0 H ALA A 36 -7.449 12.797 -13.305 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.444 13.621 -11.429 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.713 15.344 -11.586 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.429 14.035 -12.758 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.100 15.589 -13.306 1.00 0.00 H new ATOM 463 N LEU A 37 -7.721 16.352 -12.764 1.00 0.00 N ATOM 464 CA LEU A 37 -8.623 17.461 -12.506 1.00 0.00 C ATOM 465 C LEU A 37 -9.838 16.955 -11.727 1.00 0.00 C ATOM 466 O LEU A 37 -10.288 17.602 -10.782 1.00 0.00 O ATOM 467 CB LEU A 37 -8.983 18.173 -13.812 1.00 0.00 C ATOM 468 CG LEU A 37 -7.994 19.237 -14.292 1.00 0.00 C ATOM 469 CD1 LEU A 37 -8.259 20.580 -13.608 1.00 0.00 C ATOM 470 CD2 LEU A 37 -6.550 18.770 -14.097 1.00 0.00 C ATOM 0 H LEU A 37 -7.316 16.340 -13.700 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.135 18.211 -11.884 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.086 17.422 -14.595 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.959 18.642 -13.689 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.143 19.385 -15.361 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.542 21.319 -13.967 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.271 20.913 -13.840 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.153 20.466 -12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.867 19.544 -14.446 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.370 18.577 -13.040 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.383 17.856 -14.666 1.00 0.00 H new ATOM 482 N ASP A 38 -10.335 15.802 -12.151 1.00 0.00 N ATOM 483 CA ASP A 38 -11.489 15.201 -11.504 1.00 0.00 C ATOM 484 C ASP A 38 -11.062 14.603 -10.162 1.00 0.00 C ATOM 485 O ASP A 38 -11.781 14.717 -9.171 1.00 0.00 O ATOM 486 CB ASP A 38 -12.075 14.076 -12.359 1.00 0.00 C ATOM 487 CG ASP A 38 -13.410 14.403 -13.032 1.00 0.00 C ATOM 488 OD1 ASP A 38 -14.289 15.040 -12.432 1.00 0.00 O ATOM 489 OD2 ASP A 38 -13.532 13.970 -14.241 1.00 0.00 O ATOM 0 H ASP A 38 -9.959 15.268 -12.935 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.241 15.978 -11.366 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.352 13.812 -13.130 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.208 13.195 -11.731 1.00 0.00 H new ATOM 495 N ALA A 39 -9.894 13.978 -10.174 1.00 0.00 N ATOM 496 CA ALA A 39 -9.363 13.361 -8.971 1.00 0.00 C ATOM 497 C ALA A 39 -9.392 14.377 -7.827 1.00 0.00 C ATOM 498 O ALA A 39 -9.780 14.046 -6.708 1.00 0.00 O ATOM 499 CB ALA A 39 -7.953 12.834 -9.246 1.00 0.00 C ATOM 0 H ALA A 39 -9.300 13.886 -10.998 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.977 12.511 -8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.555 12.371 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.990 12.095 -10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.308 13.660 -9.545 1.00 0.00 H new ATOM 505 N ALA A 40 -8.977 15.593 -8.148 1.00 0.00 N ATOM 506 CA ALA A 40 -8.951 16.660 -7.161 1.00 0.00 C ATOM 507 C ALA A 40 -10.385 17.054 -6.804 1.00 0.00 C ATOM 508 O ALA A 40 -10.648 17.516 -5.695 1.00 0.00 O ATOM 509 CB ALA A 40 -8.140 17.838 -7.704 1.00 0.00 C ATOM 0 H ALA A 40 -8.656 15.864 -9.077 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.464 16.324 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.120 18.638 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.121 17.512 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.600 18.204 -8.622 1.00 0.00 H new ATOM 515 N ALA A 41 -11.276 16.857 -7.765 1.00 0.00 N ATOM 516 CA ALA A 41 -12.677 17.186 -7.566 1.00 0.00 C ATOM 517 C ALA A 41 -13.282 16.224 -6.541 1.00 0.00 C ATOM 518 O ALA A 41 -13.978 16.649 -5.621 1.00 0.00 O ATOM 519 CB ALA A 41 -13.408 17.141 -8.910 1.00 0.00 C ATOM 0 H ALA A 41 -11.054 16.474 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.781 18.197 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.459 17.388 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.959 17.863 -9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.327 16.141 -9.335 1.00 0.00 H new ATOM 525 N PHE A 42 -12.994 14.945 -6.736 1.00 0.00 N ATOM 526 CA PHE A 42 -13.501 13.919 -5.840 1.00 0.00 C ATOM 527 C PHE A 42 -12.921 14.084 -4.434 1.00 0.00 C ATOM 528 O PHE A 42 -13.600 13.819 -3.443 1.00 0.00 O ATOM 529 CB PHE A 42 -13.055 12.570 -6.407 1.00 0.00 C ATOM 530 CG PHE A 42 -13.361 11.380 -5.495 1.00 0.00 C ATOM 531 CD1 PHE A 42 -14.596 10.810 -5.512 1.00 0.00 C ATOM 532 CD2 PHE A 42 -12.398 10.893 -4.668 1.00 0.00 C ATOM 533 CE1 PHE A 42 -14.879 9.706 -4.666 1.00 0.00 C ATOM 534 CE2 PHE A 42 -12.682 9.788 -3.821 1.00 0.00 C ATOM 535 CZ PHE A 42 -13.916 9.218 -3.838 1.00 0.00 C ATOM 0 H PHE A 42 -12.416 14.596 -7.501 1.00 0.00 H new ATOM 0 HA PHE A 42 -14.586 13.991 -5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.543 12.412 -7.369 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -11.982 12.604 -6.596 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -15.361 11.197 -6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.418 11.346 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.859 9.253 -4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.917 9.401 -3.164 1.00 0.00 H new ATOM 0 HZ PHE A 42 -14.132 8.378 -3.194 1.00 0.00 H new ATOM 545 N LEU A 43 -11.671 14.522 -4.391 1.00 0.00 N ATOM 546 CA LEU A 43 -10.992 14.726 -3.123 1.00 0.00 C ATOM 547 C LEU A 43 -11.774 15.742 -2.288 1.00 0.00 C ATOM 548 O LEU A 43 -12.037 15.510 -1.109 1.00 0.00 O ATOM 549 CB LEU A 43 -9.530 15.114 -3.354 1.00 0.00 C ATOM 550 CG LEU A 43 -8.606 13.994 -3.835 1.00 0.00 C ATOM 551 CD1 LEU A 43 -7.266 14.556 -4.313 1.00 0.00 C ATOM 552 CD2 LEU A 43 -8.427 12.928 -2.752 1.00 0.00 C ATOM 0 H LEU A 43 -11.111 14.741 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.965 13.798 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.501 15.921 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.129 15.513 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.075 13.508 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.628 13.739 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.435 15.248 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.779 15.082 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.766 12.143 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.991 13.383 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.397 12.498 -2.501 1.00 0.00 H new ATOM 564 N LYS A 44 -12.123 16.845 -2.932 1.00 0.00 N ATOM 565 CA LYS A 44 -12.870 17.897 -2.264 1.00 0.00 C ATOM 566 C LYS A 44 -14.094 17.290 -1.576 1.00 0.00 C ATOM 567 O LYS A 44 -14.647 17.882 -0.650 1.00 0.00 O ATOM 568 CB LYS A 44 -13.210 19.020 -3.246 1.00 0.00 C ATOM 569 CG LYS A 44 -11.952 19.784 -3.664 1.00 0.00 C ATOM 570 CD LYS A 44 -12.033 21.250 -3.235 1.00 0.00 C ATOM 571 CE LYS A 44 -12.524 22.132 -4.384 1.00 0.00 C ATOM 572 NZ LYS A 44 -12.199 23.552 -4.124 1.00 0.00 N ATOM 0 H LYS A 44 -11.902 17.034 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.263 18.359 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.695 18.602 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.921 19.707 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.074 19.318 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.828 19.724 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.707 21.347 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.052 21.590 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.062 21.812 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.601 22.016 -4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.540 24.136 -4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.660 23.858 -3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.169 23.661 -4.032 1.00 0.00 H new ATOM 583 N LYS A 45 -14.481 16.117 -2.054 1.00 0.00 N ATOM 584 CA LYS A 45 -15.629 15.423 -1.496 1.00 0.00 C ATOM 585 C LYS A 45 -15.209 14.700 -0.215 1.00 0.00 C ATOM 586 O LYS A 45 -15.929 13.831 0.276 1.00 0.00 O ATOM 587 CB LYS A 45 -16.259 14.502 -2.544 1.00 0.00 C ATOM 588 CG LYS A 45 -16.407 15.221 -3.887 1.00 0.00 C ATOM 589 CD LYS A 45 -17.375 14.472 -4.805 1.00 0.00 C ATOM 590 CE LYS A 45 -17.529 15.193 -6.145 1.00 0.00 C ATOM 591 NZ LYS A 45 -18.699 16.099 -6.115 1.00 0.00 N ATOM 0 H LYS A 45 -14.020 15.629 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.408 16.134 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.642 13.612 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.236 14.166 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.768 16.236 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.433 15.303 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.011 13.458 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.348 14.386 -4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.626 15.763 -6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.647 14.463 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.789 16.580 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.561 15.547 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.571 16.807 -5.364 1.00 0.00 H new ATOM 602 N SER A 46 -14.047 15.085 0.290 1.00 0.00 N ATOM 603 CA SER A 46 -13.523 14.484 1.505 1.00 0.00 C ATOM 604 C SER A 46 -13.934 15.318 2.721 1.00 0.00 C ATOM 605 O SER A 46 -14.719 14.864 3.552 1.00 0.00 O ATOM 606 CB SER A 46 -12.000 14.353 1.442 1.00 0.00 C ATOM 607 OG SER A 46 -11.348 15.603 1.645 1.00 0.00 O ATOM 0 H SER A 46 -13.453 15.806 -0.120 1.00 0.00 H new ATOM 0 HA SER A 46 -13.943 13.483 1.600 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.666 13.643 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.711 13.946 0.473 1.00 0.00 H new ATOM 0 HG SER A 46 -11.308 16.093 0.797 1.00 0.00 H new ATOM 613 N GLY A 47 -13.386 16.522 2.785 1.00 0.00 N ATOM 614 CA GLY A 47 -13.686 17.423 3.885 1.00 0.00 C ATOM 615 C GLY A 47 -12.499 18.342 4.180 1.00 0.00 C ATOM 616 O GLY A 47 -12.683 19.500 4.553 1.00 0.00 O ATOM 0 H GLY A 47 -12.736 16.895 2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.563 18.023 3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.934 16.846 4.776 1.00 0.00 H new ATOM 620 N LEU A 48 -11.307 17.792 4.002 1.00 0.00 N ATOM 621 CA LEU A 48 -10.090 18.547 4.245 1.00 0.00 C ATOM 622 C LEU A 48 -10.077 19.786 3.347 1.00 0.00 C ATOM 623 O LEU A 48 -10.817 19.855 2.367 1.00 0.00 O ATOM 624 CB LEU A 48 -8.861 17.652 4.077 1.00 0.00 C ATOM 625 CG LEU A 48 -8.474 16.808 5.293 1.00 0.00 C ATOM 626 CD1 LEU A 48 -7.831 15.488 4.862 1.00 0.00 C ATOM 627 CD2 LEU A 48 -7.576 17.599 6.246 1.00 0.00 C ATOM 0 H LEU A 48 -11.158 16.832 3.692 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.059 18.899 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.037 16.982 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.012 18.281 3.811 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.384 16.559 5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.565 14.907 5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.536 14.921 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.933 15.694 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.316 16.976 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.667 17.898 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.105 18.487 6.591 1.00 0.00 H new ATOM 639 N PRO A 49 -9.204 20.759 3.724 1.00 0.00 N ATOM 640 CA PRO A 49 -9.084 21.992 2.964 1.00 0.00 C ATOM 641 C PRO A 49 -8.317 21.760 1.660 1.00 0.00 C ATOM 642 O PRO A 49 -7.932 20.633 1.355 1.00 0.00 O ATOM 643 CB PRO A 49 -8.386 22.965 3.900 1.00 0.00 C ATOM 644 CG PRO A 49 -7.726 22.112 4.971 1.00 0.00 C ATOM 645 CD PRO A 49 -8.312 20.712 4.879 1.00 0.00 C ATOM 0 HA PRO A 49 -10.049 22.388 2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.647 23.560 3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.098 23.663 4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.646 22.084 4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.903 22.536 5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.531 19.964 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.854 20.449 5.787 1.00 0.00 H new ATOM 653 N ASP A 50 -8.118 22.846 0.927 1.00 0.00 N ATOM 654 CA ASP A 50 -7.404 22.775 -0.336 1.00 0.00 C ATOM 655 C ASP A 50 -5.900 22.880 -0.073 1.00 0.00 C ATOM 656 O ASP A 50 -5.102 22.232 -0.748 1.00 0.00 O ATOM 657 CB ASP A 50 -7.804 23.926 -1.260 1.00 0.00 C ATOM 658 CG ASP A 50 -6.929 24.091 -2.505 1.00 0.00 C ATOM 659 OD1 ASP A 50 -6.058 23.255 -2.788 1.00 0.00 O ATOM 660 OD2 ASP A 50 -7.175 25.144 -3.209 1.00 0.00 O ATOM 0 H ASP A 50 -8.439 23.780 1.184 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.654 21.827 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.836 23.775 -1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.778 24.855 -0.690 1.00 0.00 H new ATOM 666 N LEU A 51 -5.559 23.702 0.909 1.00 0.00 N ATOM 667 CA LEU A 51 -4.166 23.900 1.269 1.00 0.00 C ATOM 668 C LEU A 51 -3.553 22.559 1.677 1.00 0.00 C ATOM 669 O LEU A 51 -2.499 22.175 1.172 1.00 0.00 O ATOM 670 CB LEU A 51 -4.038 24.985 2.339 1.00 0.00 C ATOM 671 CG LEU A 51 -3.774 24.494 3.764 1.00 0.00 C ATOM 672 CD1 LEU A 51 -2.792 25.417 4.489 1.00 0.00 C ATOM 673 CD2 LEU A 51 -5.083 24.328 4.539 1.00 0.00 C ATOM 0 H LEU A 51 -6.224 24.238 1.466 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.599 24.262 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.229 25.657 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.955 25.574 2.343 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.308 23.510 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.622 25.045 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.847 25.440 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.207 26.424 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.866 23.978 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.600 25.286 4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.717 23.601 4.031 1.00 0.00 H new ATOM 685 N ILE A 52 -4.240 21.883 2.586 1.00 0.00 N ATOM 686 CA ILE A 52 -3.776 20.593 3.067 1.00 0.00 C ATOM 687 C ILE A 52 -3.753 19.598 1.905 1.00 0.00 C ATOM 688 O ILE A 52 -2.872 18.742 1.833 1.00 0.00 O ATOM 689 CB ILE A 52 -4.621 20.129 4.256 1.00 0.00 C ATOM 690 CG1 ILE A 52 -4.417 21.046 5.464 1.00 0.00 C ATOM 691 CG2 ILE A 52 -4.336 18.664 4.593 1.00 0.00 C ATOM 692 CD1 ILE A 52 -3.296 20.523 6.365 1.00 0.00 C ATOM 0 H ILE A 52 -5.114 22.204 3.002 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.755 20.671 3.441 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.672 20.195 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.176 22.053 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.344 21.115 6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.949 18.360 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.573 18.040 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.282 18.547 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.171 21.192 7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.552 19.526 6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.365 20.478 5.799 1.00 0.00 H new ATOM 704 N LEU A 53 -4.731 19.743 1.023 1.00 0.00 N ATOM 705 CA LEU A 53 -4.834 18.868 -0.132 1.00 0.00 C ATOM 706 C LEU A 53 -3.624 19.089 -1.042 1.00 0.00 C ATOM 707 O LEU A 53 -2.936 18.137 -1.408 1.00 0.00 O ATOM 708 CB LEU A 53 -6.178 19.066 -0.836 1.00 0.00 C ATOM 709 CG LEU A 53 -7.268 18.046 -0.501 1.00 0.00 C ATOM 710 CD1 LEU A 53 -8.658 18.610 -0.801 1.00 0.00 C ATOM 711 CD2 LEU A 53 -7.019 16.720 -1.222 1.00 0.00 C ATOM 0 H LEU A 53 -5.460 20.454 1.085 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.814 17.823 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.551 20.060 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.008 19.046 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.228 17.843 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.414 17.865 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.823 19.507 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.728 18.861 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.808 16.013 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.016 16.887 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.055 16.314 -0.915 1.00 0.00 H new ATOM 723 N GLY A 54 -3.401 20.350 -1.381 1.00 0.00 N ATOM 724 CA GLY A 54 -2.286 20.707 -2.242 1.00 0.00 C ATOM 725 C GLY A 54 -1.053 19.859 -1.923 1.00 0.00 C ATOM 726 O GLY A 54 -0.424 19.308 -2.824 1.00 0.00 O ATOM 0 H GLY A 54 -3.973 21.137 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.568 20.567 -3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.048 21.763 -2.116 1.00 0.00 H new ATOM 730 N LYS A 55 -0.745 19.781 -0.636 1.00 0.00 N ATOM 731 CA LYS A 55 0.401 19.009 -0.187 1.00 0.00 C ATOM 732 C LYS A 55 0.242 17.557 -0.639 1.00 0.00 C ATOM 733 O LYS A 55 1.175 16.965 -1.178 1.00 0.00 O ATOM 734 CB LYS A 55 0.593 19.166 1.323 1.00 0.00 C ATOM 735 CG LYS A 55 1.540 20.326 1.638 1.00 0.00 C ATOM 736 CD LYS A 55 2.879 19.813 2.171 1.00 0.00 C ATOM 737 CE LYS A 55 3.753 20.968 2.661 1.00 0.00 C ATOM 738 NZ LYS A 55 4.680 20.505 3.718 1.00 0.00 N ATOM 0 H LYS A 55 -1.269 20.240 0.109 1.00 0.00 H new ATOM 0 HA LYS A 55 1.317 19.386 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.372 19.340 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.993 18.242 1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.706 20.919 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.080 20.985 2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.705 19.112 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.401 19.265 1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.320 21.381 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.123 21.770 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.266 21.302 4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.133 20.132 4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.293 19.756 3.338 1.00 0.00 H new ATOM 749 N ILE A 56 -0.948 17.024 -0.403 1.00 0.00 N ATOM 750 CA ILE A 56 -1.242 15.652 -0.780 1.00 0.00 C ATOM 751 C ILE A 56 -0.924 15.455 -2.263 1.00 0.00 C ATOM 752 O ILE A 56 -0.159 14.563 -2.625 1.00 0.00 O ATOM 753 CB ILE A 56 -2.681 15.290 -0.406 1.00 0.00 C ATOM 754 CG1 ILE A 56 -2.869 15.289 1.113 1.00 0.00 C ATOM 755 CG2 ILE A 56 -3.092 13.957 -1.035 1.00 0.00 C ATOM 756 CD1 ILE A 56 -4.305 14.915 1.487 1.00 0.00 C ATOM 0 H ILE A 56 -1.720 17.518 0.045 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.609 14.961 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.342 16.055 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.175 14.583 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.630 16.274 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.119 13.723 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.021 14.029 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.430 13.168 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.412 14.922 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.995 15.637 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.533 13.919 1.106 1.00 0.00 H new ATOM 768 N TRP A 57 -1.528 16.304 -3.082 1.00 0.00 N ATOM 769 CA TRP A 57 -1.319 16.235 -4.519 1.00 0.00 C ATOM 770 C TRP A 57 0.186 16.323 -4.782 1.00 0.00 C ATOM 771 O TRP A 57 0.766 15.426 -5.392 1.00 0.00 O ATOM 772 CB TRP A 57 -2.117 17.321 -5.242 1.00 0.00 C ATOM 773 CG TRP A 57 -2.200 17.128 -6.757 1.00 0.00 C ATOM 774 CD1 TRP A 57 -1.279 17.438 -7.680 1.00 0.00 C ATOM 775 CD2 TRP A 57 -3.307 16.565 -7.493 1.00 0.00 C ATOM 776 NE1 TRP A 57 -1.710 17.117 -8.951 1.00 0.00 N ATOM 777 CE2 TRP A 57 -2.982 16.569 -8.834 1.00 0.00 C ATOM 778 CE3 TRP A 57 -4.542 16.069 -7.040 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -3.838 16.090 -9.832 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -5.387 15.593 -8.050 1.00 0.00 C ATOM 781 CH2 TRP A 57 -5.074 15.590 -9.404 1.00 0.00 C ATOM 0 H TRP A 57 -2.162 17.043 -2.778 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.688 15.290 -4.918 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -3.127 17.348 -4.834 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.663 18.290 -5.034 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -0.320 17.883 -7.457 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -1.190 17.256 -9.818 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -4.817 16.056 -5.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.560 16.105 -10.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -6.349 15.201 -7.756 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.781 15.204 -10.123 1.00 0.00 H new ATOM 792 N ASP A 58 0.774 17.412 -4.309 1.00 0.00 N ATOM 793 CA ASP A 58 2.200 17.629 -4.486 1.00 0.00 C ATOM 794 C ASP A 58 2.955 16.347 -4.128 1.00 0.00 C ATOM 795 O ASP A 58 3.932 15.994 -4.785 1.00 0.00 O ATOM 796 CB ASP A 58 2.705 18.746 -3.572 1.00 0.00 C ATOM 797 CG ASP A 58 3.902 19.532 -4.110 1.00 0.00 C ATOM 798 OD1 ASP A 58 4.020 19.764 -5.323 1.00 0.00 O ATOM 799 OD2 ASP A 58 4.748 19.917 -3.216 1.00 0.00 O ATOM 0 H ASP A 58 0.289 18.153 -3.803 1.00 0.00 H new ATOM 0 HA ASP A 58 2.372 17.909 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.886 19.442 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.978 18.312 -2.610 1.00 0.00 H new ATOM 805 N LEU A 59 2.472 15.686 -3.085 1.00 0.00 N ATOM 806 CA LEU A 59 3.089 14.452 -2.631 1.00 0.00 C ATOM 807 C LEU A 59 2.690 13.312 -3.571 1.00 0.00 C ATOM 808 O LEU A 59 3.464 12.380 -3.785 1.00 0.00 O ATOM 809 CB LEU A 59 2.745 14.188 -1.164 1.00 0.00 C ATOM 810 CG LEU A 59 3.152 12.820 -0.615 1.00 0.00 C ATOM 811 CD1 LEU A 59 2.143 11.744 -1.021 1.00 0.00 C ATOM 812 CD2 LEU A 59 4.577 12.460 -1.040 1.00 0.00 C ATOM 0 H LEU A 59 1.661 15.982 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 59 4.175 14.533 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.221 14.957 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.668 14.302 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 59 3.145 12.873 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.456 10.781 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.160 12.000 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.093 11.683 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.841 11.483 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.636 12.431 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.271 13.209 -0.659 1.00 0.00 H new ATOM 824 N ALA A 60 1.484 13.424 -4.106 1.00 0.00 N ATOM 825 CA ALA A 60 0.973 12.414 -5.018 1.00 0.00 C ATOM 826 C ALA A 60 1.789 12.441 -6.312 1.00 0.00 C ATOM 827 O ALA A 60 2.344 11.423 -6.721 1.00 0.00 O ATOM 828 CB ALA A 60 -0.518 12.655 -5.263 1.00 0.00 C ATOM 0 H ALA A 60 0.845 14.199 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 60 1.075 11.419 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.901 11.898 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.056 12.596 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.660 13.644 -5.700 1.00 0.00 H new ATOM 834 N ASP A 61 1.835 13.618 -6.919 1.00 0.00 N ATOM 835 CA ASP A 61 2.574 13.791 -8.158 1.00 0.00 C ATOM 836 C ASP A 61 3.856 12.958 -8.104 1.00 0.00 C ATOM 837 O ASP A 61 4.605 13.027 -7.130 1.00 0.00 O ATOM 838 CB ASP A 61 2.971 15.255 -8.363 1.00 0.00 C ATOM 839 CG ASP A 61 4.154 15.478 -9.306 1.00 0.00 C ATOM 840 OD1 ASP A 61 3.976 15.788 -10.494 1.00 0.00 O ATOM 841 OD2 ASP A 61 5.317 15.320 -8.769 1.00 0.00 O ATOM 0 H ASP A 61 1.373 14.460 -6.576 1.00 0.00 H new ATOM 0 HA ASP A 61 1.933 13.472 -8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.109 15.799 -8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.212 15.690 -7.393 1.00 0.00 H new ATOM 847 N THR A 62 4.070 12.189 -9.162 1.00 0.00 N ATOM 848 CA THR A 62 5.248 11.343 -9.246 1.00 0.00 C ATOM 849 C THR A 62 5.345 10.701 -10.632 1.00 0.00 C ATOM 850 O THR A 62 6.432 10.604 -11.200 1.00 0.00 O ATOM 851 CB THR A 62 5.181 10.324 -8.108 1.00 0.00 C ATOM 852 OG1 THR A 62 5.844 10.970 -7.024 1.00 0.00 O ATOM 853 CG2 THR A 62 6.035 9.084 -8.380 1.00 0.00 C ATOM 0 H THR A 62 3.447 12.134 -9.968 1.00 0.00 H new ATOM 0 HA THR A 62 6.162 11.925 -9.126 1.00 0.00 H new ATOM 0 HB THR A 62 4.145 10.024 -7.951 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.254 11.651 -6.639 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.951 8.393 -7.541 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.686 8.594 -9.289 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.077 9.380 -8.504 1.00 0.00 H new ATOM 861 N ASP A 63 4.194 10.279 -11.135 1.00 0.00 N ATOM 862 CA ASP A 63 4.136 9.649 -12.443 1.00 0.00 C ATOM 863 C ASP A 63 4.146 10.729 -13.526 1.00 0.00 C ATOM 864 O ASP A 63 5.104 10.839 -14.290 1.00 0.00 O ATOM 865 CB ASP A 63 2.853 8.831 -12.603 1.00 0.00 C ATOM 866 CG ASP A 63 3.038 7.458 -13.252 1.00 0.00 C ATOM 867 OD1 ASP A 63 3.250 6.449 -12.563 1.00 0.00 O ATOM 868 OD2 ASP A 63 2.956 7.448 -14.540 1.00 0.00 O ATOM 0 H ASP A 63 3.295 10.361 -10.661 1.00 0.00 H new ATOM 0 HA ASP A 63 4.999 8.990 -12.538 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.403 8.694 -11.620 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.145 9.406 -13.200 1.00 0.00 H new ATOM 874 N GLY A 64 3.069 11.501 -13.558 1.00 0.00 N ATOM 875 CA GLY A 64 2.943 12.569 -14.534 1.00 0.00 C ATOM 876 C GLY A 64 1.849 13.558 -14.126 1.00 0.00 C ATOM 877 O GLY A 64 0.722 13.158 -13.838 1.00 0.00 O ATOM 0 H GLY A 64 2.276 11.407 -12.923 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.894 13.093 -14.630 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.711 12.147 -15.512 1.00 0.00 H new ATOM 881 N LYS A 65 2.220 14.830 -14.115 1.00 0.00 N ATOM 882 CA LYS A 65 1.284 15.879 -13.747 1.00 0.00 C ATOM 883 C LYS A 65 0.180 15.965 -14.803 1.00 0.00 C ATOM 884 O LYS A 65 0.406 15.647 -15.970 1.00 0.00 O ATOM 885 CB LYS A 65 2.022 17.200 -13.520 1.00 0.00 C ATOM 886 CG LYS A 65 1.151 18.188 -12.743 1.00 0.00 C ATOM 887 CD LYS A 65 1.455 18.127 -11.245 1.00 0.00 C ATOM 888 CE LYS A 65 2.255 19.352 -10.797 1.00 0.00 C ATOM 889 NZ LYS A 65 1.451 20.188 -9.878 1.00 0.00 N ATOM 0 H LYS A 65 3.156 15.158 -14.355 1.00 0.00 H new ATOM 0 HA LYS A 65 0.801 15.643 -12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.946 17.015 -12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.302 17.634 -14.480 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.324 19.199 -13.112 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.098 17.962 -12.914 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.523 18.072 -10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.016 17.220 -11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.172 19.033 -10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.551 19.939 -11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.009 21.015 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.589 20.507 -10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.190 19.630 -9.040 1.00 0.00 H new ATOM 900 N GLY A 66 -0.990 16.397 -14.356 1.00 0.00 N ATOM 901 CA GLY A 66 -2.129 16.529 -15.248 1.00 0.00 C ATOM 902 C GLY A 66 -2.928 15.225 -15.313 1.00 0.00 C ATOM 903 O GLY A 66 -4.004 15.182 -15.908 1.00 0.00 O ATOM 0 H GLY A 66 -1.174 16.660 -13.388 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.773 17.338 -14.904 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.784 16.799 -16.246 1.00 0.00 H new ATOM 907 N VAL A 67 -2.371 14.196 -14.693 1.00 0.00 N ATOM 908 CA VAL A 67 -3.018 12.895 -14.673 1.00 0.00 C ATOM 909 C VAL A 67 -2.514 12.097 -13.469 1.00 0.00 C ATOM 910 O VAL A 67 -1.344 12.193 -13.103 1.00 0.00 O ATOM 911 CB VAL A 67 -2.789 12.176 -16.005 1.00 0.00 C ATOM 912 CG1 VAL A 67 -3.456 10.799 -16.006 1.00 0.00 C ATOM 913 CG2 VAL A 67 -3.282 13.025 -17.178 1.00 0.00 C ATOM 0 H VAL A 67 -1.479 14.236 -14.201 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.096 13.007 -14.560 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.716 12.029 -16.126 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.278 10.309 -16.963 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.037 10.191 -15.204 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.529 10.914 -15.851 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.108 12.491 -18.112 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.349 13.218 -17.064 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.742 13.971 -17.195 1.00 0.00 H new ATOM 923 N LEU A 68 -3.422 11.329 -12.886 1.00 0.00 N ATOM 924 CA LEU A 68 -3.084 10.515 -11.731 1.00 0.00 C ATOM 925 C LEU A 68 -2.837 9.074 -12.182 1.00 0.00 C ATOM 926 O LEU A 68 -2.982 8.755 -13.361 1.00 0.00 O ATOM 927 CB LEU A 68 -4.160 10.645 -10.651 1.00 0.00 C ATOM 928 CG LEU A 68 -4.334 12.038 -10.042 1.00 0.00 C ATOM 929 CD1 LEU A 68 -5.217 11.985 -8.794 1.00 0.00 C ATOM 930 CD2 LEU A 68 -2.977 12.686 -9.757 1.00 0.00 C ATOM 0 H LEU A 68 -4.392 11.253 -13.192 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.160 10.869 -11.273 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.114 10.335 -11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.927 9.946 -9.848 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.845 12.667 -10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.324 12.988 -8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.200 11.595 -9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.757 11.334 -8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.130 13.675 -9.325 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.418 12.066 -9.056 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.416 12.779 -10.687 1.00 0.00 H new ATOM 942 N SER A 69 -2.468 8.242 -11.219 1.00 0.00 N ATOM 943 CA SER A 69 -2.199 6.842 -11.502 1.00 0.00 C ATOM 944 C SER A 69 -2.879 5.956 -10.456 1.00 0.00 C ATOM 945 O SER A 69 -3.710 6.430 -9.683 1.00 0.00 O ATOM 946 CB SER A 69 -0.695 6.566 -11.535 1.00 0.00 C ATOM 947 OG SER A 69 -0.005 7.468 -12.395 1.00 0.00 O ATOM 0 H SER A 69 -2.349 8.510 -10.242 1.00 0.00 H new ATOM 0 HA SER A 69 -2.605 6.608 -12.486 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.290 6.645 -10.526 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.522 5.543 -11.869 1.00 0.00 H new ATOM 0 HG SER A 69 0.313 6.986 -13.187 1.00 0.00 H new ATOM 953 N LYS A 70 -2.501 4.687 -10.466 1.00 0.00 N ATOM 954 CA LYS A 70 -3.063 3.731 -9.528 1.00 0.00 C ATOM 955 C LYS A 70 -2.698 4.147 -8.102 1.00 0.00 C ATOM 956 O LYS A 70 -3.383 4.970 -7.497 1.00 0.00 O ATOM 957 CB LYS A 70 -2.626 2.309 -9.885 1.00 0.00 C ATOM 958 CG LYS A 70 -3.287 1.841 -11.183 1.00 0.00 C ATOM 959 CD LYS A 70 -2.241 1.578 -12.268 1.00 0.00 C ATOM 960 CE LYS A 70 -2.217 2.713 -13.294 1.00 0.00 C ATOM 961 NZ LYS A 70 -2.423 2.182 -14.659 1.00 0.00 N ATOM 0 H LYS A 70 -1.812 4.298 -11.109 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.151 3.730 -9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.542 2.274 -9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.888 1.630 -9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.859 0.932 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.993 2.596 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.257 1.475 -11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.461 0.635 -12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.994 3.440 -13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.263 3.238 -13.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.404 2.965 -15.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.666 1.506 -14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.344 1.701 -14.709 1.00 0.00 H new ATOM 972 N GLN A 71 -1.619 3.559 -7.606 1.00 0.00 N ATOM 973 CA GLN A 71 -1.154 3.858 -6.262 1.00 0.00 C ATOM 974 C GLN A 71 -1.330 5.347 -5.959 1.00 0.00 C ATOM 975 O GLN A 71 -1.846 5.713 -4.903 1.00 0.00 O ATOM 976 CB GLN A 71 0.303 3.429 -6.078 1.00 0.00 C ATOM 977 CG GLN A 71 0.466 2.565 -4.826 1.00 0.00 C ATOM 978 CD GLN A 71 1.389 3.242 -3.809 1.00 0.00 C ATOM 979 OE1 GLN A 71 2.179 4.113 -4.133 1.00 0.00 O ATOM 980 NE2 GLN A 71 1.244 2.793 -2.566 1.00 0.00 N ATOM 0 H GLN A 71 -1.053 2.877 -8.111 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.758 3.290 -5.554 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.635 2.872 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.939 4.311 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.510 2.385 -4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.874 1.592 -5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.563 2.061 -2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.814 3.181 -1.814 1.00 0.00 H new ATOM 989 N GLU A 72 -0.893 6.166 -6.904 1.00 0.00 N ATOM 990 CA GLU A 72 -0.996 7.608 -6.751 1.00 0.00 C ATOM 991 C GLU A 72 -2.339 7.980 -6.120 1.00 0.00 C ATOM 992 O GLU A 72 -2.394 8.376 -4.956 1.00 0.00 O ATOM 993 CB GLU A 72 -0.805 8.317 -8.093 1.00 0.00 C ATOM 994 CG GLU A 72 0.629 8.826 -8.246 1.00 0.00 C ATOM 995 CD GLU A 72 0.649 10.252 -8.798 1.00 0.00 C ATOM 996 OE1 GLU A 72 0.335 11.204 -8.068 1.00 0.00 O ATOM 997 OE2 GLU A 72 1.007 10.354 -10.033 1.00 0.00 O ATOM 0 H GLU A 72 -0.467 5.859 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.200 7.941 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.040 7.631 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.501 9.152 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.133 8.799 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.184 8.166 -8.913 1.00 0.00 H new ATOM 1005 N PHE A 73 -3.389 7.840 -6.915 1.00 0.00 N ATOM 1006 CA PHE A 73 -4.728 8.156 -6.449 1.00 0.00 C ATOM 1007 C PHE A 73 -5.094 7.319 -5.222 1.00 0.00 C ATOM 1008 O PHE A 73 -5.671 7.832 -4.265 1.00 0.00 O ATOM 1009 CB PHE A 73 -5.691 7.817 -7.589 1.00 0.00 C ATOM 1010 CG PHE A 73 -7.163 7.789 -7.173 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -7.622 6.798 -6.364 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -8.012 8.756 -7.613 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -8.989 6.772 -5.978 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -9.379 8.730 -7.227 1.00 0.00 C ATOM 1015 CZ PHE A 73 -9.838 7.739 -6.417 1.00 0.00 C ATOM 0 H PHE A 73 -3.340 7.512 -7.879 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.785 9.208 -6.168 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.564 8.548 -8.388 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.422 6.844 -8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.948 6.030 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.647 9.544 -8.256 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.354 5.984 -5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.054 9.497 -7.577 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.877 7.720 -6.122 1.00 0.00 H new ATOM 1025 N PHE A 74 -4.744 6.043 -5.291 1.00 0.00 N ATOM 1026 CA PHE A 74 -5.028 5.129 -4.198 1.00 0.00 C ATOM 1027 C PHE A 74 -4.268 5.533 -2.933 1.00 0.00 C ATOM 1028 O PHE A 74 -4.534 5.011 -1.851 1.00 0.00 O ATOM 1029 CB PHE A 74 -4.557 3.742 -4.640 1.00 0.00 C ATOM 1030 CG PHE A 74 -5.692 2.798 -5.044 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -6.582 3.175 -6.001 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -5.811 1.583 -4.446 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -7.635 2.300 -6.376 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.864 0.707 -4.820 1.00 0.00 C ATOM 1035 CZ PHE A 74 -7.754 1.084 -5.777 1.00 0.00 C ATOM 0 H PHE A 74 -4.266 5.621 -6.087 1.00 0.00 H new ATOM 0 HA PHE A 74 -6.094 5.143 -3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.874 3.853 -5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.991 3.286 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.487 4.140 -6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.104 1.284 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.341 2.599 -7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.958 -0.258 -4.345 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.555 0.418 -6.062 1.00 0.00 H new ATOM 1045 N VAL A 75 -3.338 6.459 -3.111 1.00 0.00 N ATOM 1046 CA VAL A 75 -2.537 6.939 -1.998 1.00 0.00 C ATOM 1047 C VAL A 75 -3.169 8.214 -1.434 1.00 0.00 C ATOM 1048 O VAL A 75 -3.515 8.270 -0.255 1.00 0.00 O ATOM 1049 CB VAL A 75 -1.087 7.137 -2.443 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -0.426 8.279 -1.667 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -0.287 5.841 -2.298 1.00 0.00 C ATOM 0 H VAL A 75 -3.121 6.890 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.518 6.202 -1.195 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.095 7.410 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.604 8.399 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.975 9.204 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.436 8.049 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.740 6.009 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.292 5.525 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.738 5.064 -2.915 1.00 0.00 H new ATOM 1061 N ALA A 76 -3.299 9.206 -2.302 1.00 0.00 N ATOM 1062 CA ALA A 76 -3.883 10.476 -1.905 1.00 0.00 C ATOM 1063 C ALA A 76 -5.205 10.220 -1.178 1.00 0.00 C ATOM 1064 O ALA A 76 -5.647 11.043 -0.378 1.00 0.00 O ATOM 1065 CB ALA A 76 -4.058 11.365 -3.138 1.00 0.00 C ATOM 0 H ALA A 76 -3.010 9.156 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.224 11.002 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.496 12.318 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.087 11.541 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.716 10.871 -3.853 1.00 0.00 H new ATOM 1071 N LEU A 77 -5.798 9.075 -1.482 1.00 0.00 N ATOM 1072 CA LEU A 77 -7.061 8.700 -0.868 1.00 0.00 C ATOM 1073 C LEU A 77 -6.869 8.573 0.644 1.00 0.00 C ATOM 1074 O LEU A 77 -7.342 9.414 1.407 1.00 0.00 O ATOM 1075 CB LEU A 77 -7.622 7.438 -1.525 1.00 0.00 C ATOM 1076 CG LEU A 77 -9.029 7.558 -2.115 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -9.521 6.207 -2.639 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -9.999 8.166 -1.099 1.00 0.00 C ATOM 0 H LEU A 77 -5.428 8.394 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.810 9.475 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.941 7.133 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.627 6.638 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.986 8.237 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.523 6.320 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.845 5.850 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.545 5.487 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.992 8.240 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.044 7.531 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.653 9.160 -0.815 1.00 0.00 H new ATOM 1090 N ARG A 78 -6.173 7.514 1.033 1.00 0.00 N ATOM 1091 CA ARG A 78 -5.913 7.266 2.441 1.00 0.00 C ATOM 1092 C ARG A 78 -5.142 8.437 3.053 1.00 0.00 C ATOM 1093 O ARG A 78 -5.347 8.780 4.216 1.00 0.00 O ATOM 1094 CB ARG A 78 -5.108 5.979 2.634 1.00 0.00 C ATOM 1095 CG ARG A 78 -5.994 4.745 2.445 1.00 0.00 C ATOM 1096 CD ARG A 78 -7.149 4.741 3.449 1.00 0.00 C ATOM 1097 NE ARG A 78 -8.381 5.247 2.805 1.00 0.00 N ATOM 1098 CZ ARG A 78 -9.630 4.915 3.194 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -9.823 4.072 4.231 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -10.660 5.426 2.546 1.00 0.00 N ATOM 0 H ARG A 78 -5.782 6.819 0.398 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.875 7.158 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.283 5.951 1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.669 5.967 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.390 4.729 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.397 3.842 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.313 3.730 3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.897 5.362 4.309 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.280 5.887 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.022 3.681 4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.770 3.826 4.519 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.506 6.062 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.610 5.185 2.828 1.00 0.00 H new ATOM 1113 N LEU A 79 -4.270 9.018 2.242 1.00 0.00 N ATOM 1114 CA LEU A 79 -3.467 10.144 2.689 1.00 0.00 C ATOM 1115 C LEU A 79 -4.385 11.219 3.274 1.00 0.00 C ATOM 1116 O LEU A 79 -4.044 11.857 4.269 1.00 0.00 O ATOM 1117 CB LEU A 79 -2.574 10.649 1.554 1.00 0.00 C ATOM 1118 CG LEU A 79 -1.188 11.152 1.965 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -0.467 11.800 0.781 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -1.281 12.096 3.165 1.00 0.00 C ATOM 0 H LEU A 79 -4.102 8.730 1.278 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.788 9.836 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.447 9.842 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.095 11.457 1.041 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.591 10.294 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.515 12.149 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.350 11.068 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.052 12.645 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.283 12.439 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.901 12.954 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.726 11.569 4.009 1.00 0.00 H new ATOM 1132 N VAL A 80 -5.532 11.386 2.632 1.00 0.00 N ATOM 1133 CA VAL A 80 -6.501 12.373 3.077 1.00 0.00 C ATOM 1134 C VAL A 80 -6.959 12.029 4.495 1.00 0.00 C ATOM 1135 O VAL A 80 -7.158 12.919 5.320 1.00 0.00 O ATOM 1136 CB VAL A 80 -7.658 12.456 2.079 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -8.807 13.297 2.640 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -7.182 13.007 0.733 1.00 0.00 C ATOM 0 H VAL A 80 -5.812 10.855 1.808 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.048 13.364 3.113 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.032 11.445 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.616 13.340 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.173 12.845 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.452 14.306 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.023 13.056 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.770 14.006 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.413 12.352 0.323 1.00 0.00 H new ATOM 1148 N ALA A 81 -7.113 10.735 4.736 1.00 0.00 N ATOM 1149 CA ALA A 81 -7.544 10.262 6.040 1.00 0.00 C ATOM 1150 C ALA A 81 -6.456 10.564 7.072 1.00 0.00 C ATOM 1151 O ALA A 81 -6.682 10.433 8.274 1.00 0.00 O ATOM 1152 CB ALA A 81 -7.873 8.770 5.959 1.00 0.00 C ATOM 0 H ALA A 81 -6.947 9.999 4.049 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.450 10.779 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.196 8.415 6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.671 8.612 5.234 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.986 8.218 5.648 1.00 0.00 H new ATOM 1158 N CYS A 82 -5.298 10.962 6.565 1.00 0.00 N ATOM 1159 CA CYS A 82 -4.174 11.284 7.428 1.00 0.00 C ATOM 1160 C CYS A 82 -4.445 12.639 8.084 1.00 0.00 C ATOM 1161 O CYS A 82 -4.629 12.720 9.297 1.00 0.00 O ATOM 1162 CB CYS A 82 -2.851 11.275 6.660 1.00 0.00 C ATOM 1163 SG CYS A 82 -1.489 10.758 7.767 1.00 0.00 S ATOM 0 H CYS A 82 -5.114 11.069 5.567 1.00 0.00 H new ATOM 0 HA CYS A 82 -4.075 10.521 8.201 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -2.919 10.595 5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -2.647 12.268 6.258 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.668 11.752 7.939 1.00 0.00 H new ATOM 1169 N ALA A 83 -4.460 13.671 7.252 1.00 0.00 N ATOM 1170 CA ALA A 83 -4.704 15.019 7.736 1.00 0.00 C ATOM 1171 C ALA A 83 -6.073 15.071 8.418 1.00 0.00 C ATOM 1172 O ALA A 83 -6.348 15.981 9.198 1.00 0.00 O ATOM 1173 CB ALA A 83 -4.594 16.007 6.573 1.00 0.00 C ATOM 0 H ALA A 83 -4.307 13.600 6.246 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.956 15.303 8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.777 17.018 6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.594 15.952 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.332 15.756 5.811 1.00 0.00 H new ATOM 1179 N GLN A 84 -6.895 14.082 8.099 1.00 0.00 N ATOM 1180 CA GLN A 84 -8.229 14.004 8.671 1.00 0.00 C ATOM 1181 C GLN A 84 -8.146 13.843 10.190 1.00 0.00 C ATOM 1182 O GLN A 84 -9.055 14.251 10.911 1.00 0.00 O ATOM 1183 CB GLN A 84 -9.029 12.862 8.041 1.00 0.00 C ATOM 1184 CG GLN A 84 -9.611 13.280 6.689 1.00 0.00 C ATOM 1185 CD GLN A 84 -11.136 13.375 6.754 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -11.764 13.035 7.744 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -11.696 13.854 5.647 1.00 0.00 N ATOM 0 H GLN A 84 -6.663 13.328 7.452 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.753 14.935 8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.386 11.992 7.911 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.835 12.565 8.712 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.195 14.243 6.392 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.320 12.559 5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.112 14.120 4.854 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.709 13.955 5.591 1.00 0.00 H new ATOM 1196 N ASN A 85 -7.048 13.247 10.631 1.00 0.00 N ATOM 1197 CA ASN A 85 -6.835 13.027 12.052 1.00 0.00 C ATOM 1198 C ASN A 85 -5.897 14.107 12.595 1.00 0.00 C ATOM 1199 O ASN A 85 -5.754 14.257 13.808 1.00 0.00 O ATOM 1200 CB ASN A 85 -6.187 11.665 12.307 1.00 0.00 C ATOM 1201 CG ASN A 85 -6.372 11.234 13.763 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -7.474 11.169 14.283 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -5.236 10.944 14.391 1.00 0.00 N ATOM 0 H ASN A 85 -6.296 12.910 10.030 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.805 13.063 12.549 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.627 10.919 11.645 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.124 11.714 12.071 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.254 10.646 15.366 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.347 11.019 13.897 1.00 0.00 H new ATOM 1210 N GLY A 86 -5.281 14.830 11.672 1.00 0.00 N ATOM 1211 CA GLY A 86 -4.360 15.891 12.043 1.00 0.00 C ATOM 1212 C GLY A 86 -2.908 15.443 11.867 1.00 0.00 C ATOM 1213 O GLY A 86 -1.984 16.146 12.274 1.00 0.00 O ATOM 0 H GLY A 86 -5.402 14.702 10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.549 16.772 11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.532 16.181 13.080 1.00 0.00 H new ATOM 1217 N LEU A 87 -2.751 14.276 11.259 1.00 0.00 N ATOM 1218 CA LEU A 87 -1.427 13.727 11.024 1.00 0.00 C ATOM 1219 C LEU A 87 -0.791 14.435 9.826 1.00 0.00 C ATOM 1220 O LEU A 87 -1.447 15.222 9.146 1.00 0.00 O ATOM 1221 CB LEU A 87 -1.498 12.206 10.873 1.00 0.00 C ATOM 1222 CG LEU A 87 -2.076 11.439 12.064 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -2.740 10.139 11.609 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -1.006 11.194 13.130 1.00 0.00 C ATOM 0 H LEU A 87 -3.519 13.696 10.922 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.780 13.910 11.882 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.098 11.976 9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.492 11.833 10.680 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.852 12.053 12.522 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.142 9.613 12.475 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.549 10.367 10.915 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.003 9.508 11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.443 10.647 13.965 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.192 10.610 12.701 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.620 12.150 13.484 1.00 0.00 H new ATOM 1236 N GLU A 88 0.479 14.129 9.604 1.00 0.00 N ATOM 1237 CA GLU A 88 1.211 14.726 8.500 1.00 0.00 C ATOM 1238 C GLU A 88 0.406 14.609 7.204 1.00 0.00 C ATOM 1239 O GLU A 88 -0.611 13.918 7.162 1.00 0.00 O ATOM 1240 CB GLU A 88 2.592 14.086 8.348 1.00 0.00 C ATOM 1241 CG GLU A 88 3.638 15.128 7.948 1.00 0.00 C ATOM 1242 CD GLU A 88 4.883 15.022 8.832 1.00 0.00 C ATOM 1243 OE1 GLU A 88 5.967 14.678 8.337 1.00 0.00 O ATOM 1244 OE2 GLU A 88 4.696 15.312 10.075 1.00 0.00 O ATOM 0 H GLU A 88 1.020 13.475 10.170 1.00 0.00 H new ATOM 0 HA GLU A 88 1.359 15.784 8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.884 13.615 9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.551 13.299 7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.916 14.987 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.212 16.128 8.032 1.00 0.00 H new ATOM 1252 N VAL A 89 0.891 15.294 6.180 1.00 0.00 N ATOM 1253 CA VAL A 89 0.230 15.275 4.886 1.00 0.00 C ATOM 1254 C VAL A 89 1.114 14.541 3.877 1.00 0.00 C ATOM 1255 O VAL A 89 0.650 14.156 2.804 1.00 0.00 O ATOM 1256 CB VAL A 89 -0.114 16.702 4.453 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -1.155 16.699 3.332 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -0.591 17.536 5.643 1.00 0.00 C ATOM 0 H VAL A 89 1.734 15.866 6.220 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.713 14.732 4.947 1.00 0.00 H new ATOM 0 HB VAL A 89 0.794 17.162 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.382 17.725 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.761 16.158 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.065 16.211 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.829 18.546 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.481 17.078 6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.196 17.580 6.396 1.00 0.00 H new ATOM 1268 N SER A 90 2.372 14.368 4.255 1.00 0.00 N ATOM 1269 CA SER A 90 3.325 13.686 3.396 1.00 0.00 C ATOM 1270 C SER A 90 3.399 12.205 3.770 1.00 0.00 C ATOM 1271 O SER A 90 3.177 11.839 4.923 1.00 0.00 O ATOM 1272 CB SER A 90 4.711 14.328 3.493 1.00 0.00 C ATOM 1273 OG SER A 90 4.808 15.510 2.703 1.00 0.00 O ATOM 0 H SER A 90 2.754 14.688 5.145 1.00 0.00 H new ATOM 0 HA SER A 90 2.983 13.777 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.927 14.569 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.466 13.612 3.168 1.00 0.00 H new ATOM 0 HG SER A 90 5.707 15.891 2.793 1.00 0.00 H new ATOM 1279 N LEU A 91 3.712 11.391 2.772 1.00 0.00 N ATOM 1280 CA LEU A 91 3.819 9.957 2.981 1.00 0.00 C ATOM 1281 C LEU A 91 4.860 9.680 4.068 1.00 0.00 C ATOM 1282 O LEU A 91 4.831 8.630 4.708 1.00 0.00 O ATOM 1283 CB LEU A 91 4.105 9.242 1.659 1.00 0.00 C ATOM 1284 CG LEU A 91 2.885 8.692 0.917 1.00 0.00 C ATOM 1285 CD1 LEU A 91 3.210 8.434 -0.556 1.00 0.00 C ATOM 1286 CD2 LEU A 91 2.340 7.442 1.610 1.00 0.00 C ATOM 0 H LEU A 91 3.895 11.698 1.816 1.00 0.00 H new ATOM 0 HA LEU A 91 2.871 9.553 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.625 9.936 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.789 8.416 1.856 1.00 0.00 H new ATOM 0 HG LEU A 91 2.098 9.446 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.326 8.044 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.516 9.367 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.020 7.708 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.473 7.071 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.112 6.673 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.046 7.690 2.630 1.00 0.00 H new ATOM 1298 N SER A 92 5.756 10.641 4.243 1.00 0.00 N ATOM 1299 CA SER A 92 6.804 10.514 5.241 1.00 0.00 C ATOM 1300 C SER A 92 6.194 10.164 6.599 1.00 0.00 C ATOM 1301 O SER A 92 6.882 9.647 7.478 1.00 0.00 O ATOM 1302 CB SER A 92 7.626 11.800 5.343 1.00 0.00 C ATOM 1303 OG SER A 92 8.423 12.018 4.182 1.00 0.00 O ATOM 0 H SER A 92 5.777 11.511 3.710 1.00 0.00 H new ATOM 0 HA SER A 92 7.474 9.711 4.934 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.956 12.648 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.270 11.750 6.221 1.00 0.00 H new ATOM 0 HG SER A 92 8.931 12.850 4.285 1.00 0.00 H new ATOM 1309 N SER A 93 4.909 10.460 6.729 1.00 0.00 N ATOM 1310 CA SER A 93 4.198 10.184 7.966 1.00 0.00 C ATOM 1311 C SER A 93 2.973 9.313 7.682 1.00 0.00 C ATOM 1312 O SER A 93 1.933 9.471 8.320 1.00 0.00 O ATOM 1313 CB SER A 93 3.779 11.480 8.662 1.00 0.00 C ATOM 1314 OG SER A 93 4.193 11.512 10.025 1.00 0.00 O ATOM 0 H SER A 93 4.342 10.888 5.998 1.00 0.00 H new ATOM 0 HA SER A 93 4.871 9.647 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.208 12.331 8.133 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.695 11.586 8.610 1.00 0.00 H new ATOM 0 HG SER A 93 3.484 11.909 10.573 1.00 0.00 H new ATOM 1320 N LEU A 94 3.135 8.414 6.723 1.00 0.00 N ATOM 1321 CA LEU A 94 2.055 7.518 6.346 1.00 0.00 C ATOM 1322 C LEU A 94 2.413 6.090 6.764 1.00 0.00 C ATOM 1323 O LEU A 94 3.472 5.856 7.344 1.00 0.00 O ATOM 1324 CB LEU A 94 1.734 7.661 4.857 1.00 0.00 C ATOM 1325 CG LEU A 94 0.687 8.717 4.495 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -0.685 8.345 5.060 1.00 0.00 C ATOM 1327 CD2 LEU A 94 1.134 10.109 4.946 1.00 0.00 C ATOM 0 H LEU A 94 3.998 8.287 6.195 1.00 0.00 H new ATOM 0 HA LEU A 94 1.138 7.784 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.657 7.897 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.391 6.695 4.485 1.00 0.00 H new ATOM 0 HG LEU A 94 0.591 8.745 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.410 9.112 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.000 7.386 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.624 8.272 6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.372 10.841 4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.275 10.113 6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.073 10.366 4.456 1.00 0.00 H new ATOM 1339 N SER A 95 1.509 5.172 6.452 1.00 0.00 N ATOM 1340 CA SER A 95 1.717 3.774 6.787 1.00 0.00 C ATOM 1341 C SER A 95 1.505 3.558 8.287 1.00 0.00 C ATOM 1342 O SER A 95 2.175 2.727 8.899 1.00 0.00 O ATOM 1343 CB SER A 95 3.116 3.311 6.376 1.00 0.00 C ATOM 1344 OG SER A 95 4.063 3.473 7.429 1.00 0.00 O ATOM 0 H SER A 95 0.631 5.370 5.971 1.00 0.00 H new ATOM 0 HA SER A 95 0.990 3.178 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.079 2.263 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.443 3.877 5.504 1.00 0.00 H new ATOM 0 HG SER A 95 3.938 4.349 7.850 1.00 0.00 H new ATOM 1350 N LEU A 96 0.572 4.321 8.836 1.00 0.00 N ATOM 1351 CA LEU A 96 0.264 4.224 10.253 1.00 0.00 C ATOM 1352 C LEU A 96 -1.192 3.786 10.425 1.00 0.00 C ATOM 1353 O LEU A 96 -1.804 3.272 9.490 1.00 0.00 O ATOM 1354 CB LEU A 96 0.600 5.536 10.965 1.00 0.00 C ATOM 1355 CG LEU A 96 1.655 6.415 10.290 1.00 0.00 C ATOM 1356 CD1 LEU A 96 1.520 7.872 10.735 1.00 0.00 C ATOM 1357 CD2 LEU A 96 3.062 5.868 10.535 1.00 0.00 C ATOM 0 H LEU A 96 0.019 5.009 8.325 1.00 0.00 H new ATOM 0 HA LEU A 96 0.884 3.463 10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.317 6.116 11.066 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.942 5.302 11.973 1.00 0.00 H new ATOM 0 HG LEU A 96 1.483 6.390 9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.281 8.475 10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.531 8.244 10.467 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.651 7.936 11.815 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.793 6.511 10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.261 5.843 11.606 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.136 4.859 10.129 1.00 0.00 H new ATOM 1369 N ALA A 97 -1.705 4.006 11.627 1.00 0.00 N ATOM 1370 CA ALA A 97 -3.077 3.641 11.933 1.00 0.00 C ATOM 1371 C ALA A 97 -3.945 4.901 11.944 1.00 0.00 C ATOM 1372 O ALA A 97 -4.341 5.376 13.007 1.00 0.00 O ATOM 1373 CB ALA A 97 -3.120 2.891 13.266 1.00 0.00 C ATOM 0 H ALA A 97 -1.195 4.433 12.400 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.476 2.973 11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.150 2.617 13.496 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.511 1.989 13.196 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.730 3.532 14.057 1.00 0.00 H new ATOM 1379 N VAL A 98 -4.216 5.405 10.749 1.00 0.00 N ATOM 1380 CA VAL A 98 -5.030 6.600 10.608 1.00 0.00 C ATOM 1381 C VAL A 98 -6.509 6.209 10.624 1.00 0.00 C ATOM 1382 O VAL A 98 -6.857 5.069 10.320 1.00 0.00 O ATOM 1383 CB VAL A 98 -4.627 7.362 9.344 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -3.135 7.702 9.362 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -4.994 6.571 8.087 1.00 0.00 C ATOM 0 H VAL A 98 -3.886 5.007 9.870 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.863 7.277 11.446 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.184 8.299 9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.874 8.243 8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.914 8.323 10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.553 6.782 9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.697 7.135 7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.476 5.612 8.097 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.071 6.402 8.065 1.00 0.00 H new ATOM 1395 N PRO A 99 -7.362 7.203 10.992 1.00 0.00 N ATOM 1396 CA PRO A 99 -8.796 6.974 11.051 1.00 0.00 C ATOM 1397 C PRO A 99 -9.402 6.926 9.647 1.00 0.00 C ATOM 1398 O PRO A 99 -8.712 7.175 8.660 1.00 0.00 O ATOM 1399 CB PRO A 99 -9.341 8.115 11.895 1.00 0.00 C ATOM 1400 CG PRO A 99 -8.267 9.190 11.887 1.00 0.00 C ATOM 1401 CD PRO A 99 -6.986 8.565 11.359 1.00 0.00 C ATOM 0 HA PRO A 99 -9.051 6.011 11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.276 8.494 11.482 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.553 7.782 12.911 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.570 10.028 11.259 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.114 9.584 12.892 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.602 9.115 10.500 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.202 8.569 12.116 1.00 0.00 H new ATOM 1409 N PRO A 100 -10.720 6.594 9.602 1.00 0.00 N ATOM 1410 CA PRO A 100 -11.427 6.510 8.335 1.00 0.00 C ATOM 1411 C PRO A 100 -11.723 7.904 7.778 1.00 0.00 C ATOM 1412 O PRO A 100 -11.992 8.835 8.536 1.00 0.00 O ATOM 1413 CB PRO A 100 -12.685 5.712 8.639 1.00 0.00 C ATOM 1414 CG PRO A 100 -12.867 5.779 10.147 1.00 0.00 C ATOM 1415 CD PRO A 100 -11.569 6.292 10.751 1.00 0.00 C ATOM 0 HA PRO A 100 -10.840 6.022 7.557 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -13.548 6.132 8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.584 4.680 8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -13.695 6.441 10.403 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -13.111 4.795 10.546 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.739 7.179 11.361 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.110 5.544 11.397 1.00 0.00 H new ATOM 1423 N PRO A 101 -11.662 8.006 6.424 1.00 0.00 N ATOM 1424 CA PRO A 101 -11.920 9.271 5.756 1.00 0.00 C ATOM 1425 C PRO A 101 -13.416 9.591 5.748 1.00 0.00 C ATOM 1426 O PRO A 101 -14.185 9.002 6.507 1.00 0.00 O ATOM 1427 CB PRO A 101 -11.341 9.105 4.361 1.00 0.00 C ATOM 1428 CG PRO A 101 -11.197 7.607 4.145 1.00 0.00 C ATOM 1429 CD PRO A 101 -11.348 6.925 5.495 1.00 0.00 C ATOM 0 HA PRO A 101 -11.459 10.117 6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.997 9.546 3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.377 9.606 4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.954 7.247 3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.226 7.376 3.707 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.141 6.178 5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.432 6.409 5.783 1.00 0.00 H new ATOM 1437 N ARG A 102 -13.785 10.523 4.881 1.00 0.00 N ATOM 1438 CA ARG A 102 -15.175 10.928 4.764 1.00 0.00 C ATOM 1439 C ARG A 102 -15.831 10.237 3.567 1.00 0.00 C ATOM 1440 O ARG A 102 -17.029 9.959 3.586 1.00 0.00 O ATOM 1441 CB ARG A 102 -15.294 12.445 4.596 1.00 0.00 C ATOM 1442 CG ARG A 102 -16.480 12.993 5.393 1.00 0.00 C ATOM 1443 CD ARG A 102 -17.389 13.847 4.507 1.00 0.00 C ATOM 1444 NE ARG A 102 -17.909 14.999 5.276 1.00 0.00 N ATOM 1445 CZ ARG A 102 -18.774 15.910 4.782 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -19.223 15.811 3.513 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -19.173 16.900 5.559 1.00 0.00 N ATOM 0 H ARG A 102 -13.145 11.009 4.253 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.684 10.634 5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.374 12.925 4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -15.416 12.689 3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -17.051 12.167 5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -16.116 13.590 6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.835 14.200 3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -18.217 13.245 4.134 1.00 0.00 H new ATOM 0 HE ARG A 102 -17.594 15.112 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -18.909 15.043 2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -19.877 16.504 3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -18.828 16.968 6.516 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -19.826 17.597 5.202 1.00 0.00 H new ATOM 1460 N PHE A 103 -15.016 9.978 2.555 1.00 0.00 N ATOM 1461 CA PHE A 103 -15.502 9.324 1.352 1.00 0.00 C ATOM 1462 C PHE A 103 -16.506 8.222 1.694 1.00 0.00 C ATOM 1463 O PHE A 103 -16.559 7.756 2.832 1.00 0.00 O ATOM 1464 CB PHE A 103 -14.289 8.696 0.663 1.00 0.00 C ATOM 1465 CG PHE A 103 -13.077 9.625 0.568 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -13.143 10.753 -0.188 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -11.934 9.322 1.240 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -12.018 11.616 -0.276 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -10.809 10.185 1.152 1.00 0.00 C ATOM 1470 CZ PHE A 103 -10.875 11.313 0.396 1.00 0.00 C ATOM 0 H PHE A 103 -14.023 10.209 2.543 1.00 0.00 H new ATOM 0 HA PHE A 103 -16.004 10.049 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -14.002 7.795 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -14.575 8.385 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -14.051 10.993 -0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.882 8.426 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -12.070 12.512 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.901 9.945 1.686 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.019 11.969 0.329 1.00 0.00 H new ATOM 1480 N HIS A 104 -17.279 7.836 0.689 1.00 0.00 N ATOM 1481 CA HIS A 104 -18.279 6.797 0.870 1.00 0.00 C ATOM 1482 C HIS A 104 -17.592 5.432 0.950 1.00 0.00 C ATOM 1483 O HIS A 104 -16.389 5.324 0.719 1.00 0.00 O ATOM 1484 CB HIS A 104 -19.338 6.865 -0.232 1.00 0.00 C ATOM 1485 CG HIS A 104 -20.579 7.633 0.154 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -21.853 7.230 -0.207 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -20.728 8.782 0.874 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -22.721 8.105 0.278 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -22.022 9.066 0.947 1.00 0.00 N ATOM 0 H HIS A 104 -17.233 8.224 -0.253 1.00 0.00 H new ATOM 0 HA HIS A 104 -18.807 6.954 1.811 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -18.898 7.327 -1.116 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -19.623 5.850 -0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -19.928 9.362 1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -23.794 8.065 0.164 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -22.427 9.871 1.425 1.00 0.00 H new ATOM 1497 N ASP A 105 -18.387 4.424 1.278 1.00 0.00 N ATOM 1498 CA ASP A 105 -17.871 3.071 1.392 1.00 0.00 C ATOM 1499 C ASP A 105 -19.037 2.099 1.579 1.00 0.00 C ATOM 1500 O ASP A 105 -20.189 2.450 1.329 1.00 0.00 O ATOM 1501 CB ASP A 105 -16.943 2.935 2.601 1.00 0.00 C ATOM 1502 CG ASP A 105 -15.543 2.404 2.285 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -14.686 3.134 1.766 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -15.345 1.169 2.600 1.00 0.00 O ATOM 0 H ASP A 105 -19.385 4.518 1.468 1.00 0.00 H new ATOM 0 HA ASP A 105 -17.314 2.845 0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -16.846 3.911 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -17.412 2.271 3.327 1.00 0.00 H new