USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 576 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 14 ASN : amide:sc= -4.47! C(o=-6.2!,f=-16!) USER MOD Set 1.2: A 20 TYR OH : rot 15:sc= -0.804! USER MOD Set 1.3: A 41 GLN :FLIP amide:sc= -0.944 F(o=-7.1,f=-6.2) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 166:sc= -0.277 USER MOD Single : A 22 TYR OH : rot 30:sc= -0.905 USER MOD Single : A 25 ASN : amide:sc= -0.0881 K(o=-0.088,f=-2.2!) USER MOD Single : A 27 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.48) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.842 (180deg=-1.79!) USER MOD Single : A 35 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.042) USER MOD Single : A 36 GLN : amide:sc= 1.19 K(o=1.2,f=-0.05) USER MOD Single : A 40 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.24) USER MOD Single : A 45 LYS NZ :NH3+ -139:sc= -1.34 (180deg=-3.69!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 48 GLN : amide:sc= -6.74! C(o=-6.7!,f=-15!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.58) USER MOD Single : A 55 GLN :FLIP amide:sc= -3.21! C(o=-3.8!,f=-3.2!) USER MOD Single : A 58 GLN : amide:sc= -0.94 K(o=-0.94,f=-2.8) USER MOD Single : A 66 TYR OH : rot -77:sc= -1.15 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 71 SER OG : rot -28:sc= 0.574 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 30:sc= 0.0772 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0014) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.201 -3.708 -4.492 1.00 0.00 N ATOM 60 CA GLY A 7 -7.304 -3.043 -3.564 1.00 0.00 C ATOM 61 C GLY A 7 -8.040 -2.143 -2.592 1.00 0.00 C ATOM 62 O GLY A 7 -9.270 -2.150 -2.539 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.742 -3.792 -3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.579 -2.452 -4.124 1.00 0.00 H new ATOM 66 N ILE A 8 -7.286 -1.369 -1.819 1.00 0.00 N ATOM 67 CA ILE A 8 -7.875 -0.460 -0.843 1.00 0.00 C ATOM 68 C ILE A 8 -7.499 0.987 -1.142 1.00 0.00 C ATOM 69 O ILE A 8 -6.452 1.257 -1.729 1.00 0.00 O ATOM 70 CB ILE A 8 -7.431 -0.808 0.590 1.00 0.00 C ATOM 71 CG1 ILE A 8 -5.913 -0.671 0.725 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.875 -2.217 0.955 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.461 -0.303 2.120 1.00 0.00 C ATOM 0 H ILE A 8 -6.267 -1.353 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.956 -0.575 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.903 -0.109 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.444 -1.612 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.561 0.088 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.554 -2.448 1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.961 -2.283 0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.428 -2.930 0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.374 -0.223 2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.901 0.653 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.782 -1.073 2.821 1.00 0.00 H new ATOM 85 N GLN A 9 -8.360 1.913 -0.732 1.00 0.00 N ATOM 86 CA GLN A 9 -8.117 3.334 -0.956 1.00 0.00 C ATOM 87 C GLN A 9 -7.741 4.033 0.346 1.00 0.00 C ATOM 88 O GLN A 9 -8.527 4.071 1.292 1.00 0.00 O ATOM 89 CB GLN A 9 -9.354 3.995 -1.565 1.00 0.00 C ATOM 90 CG GLN A 9 -9.037 5.219 -2.408 1.00 0.00 C ATOM 91 CD GLN A 9 -10.098 5.497 -3.456 1.00 0.00 C ATOM 92 OE1 GLN A 9 -11.293 5.505 -3.159 1.00 0.00 O ATOM 93 NE2 GLN A 9 -9.665 5.726 -4.690 1.00 0.00 N ATOM 0 H GLN A 9 -9.231 1.705 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.284 3.429 -1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.879 3.266 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.034 4.283 -0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.938 6.088 -1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.074 5.078 -2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.665 5.710 -4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.332 5.918 -5.437 1.00 0.00 H new ATOM 102 N VAL A 10 -6.532 4.585 0.388 1.00 0.00 N ATOM 103 CA VAL A 10 -6.052 5.284 1.574 1.00 0.00 C ATOM 104 C VAL A 10 -5.831 6.765 1.287 1.00 0.00 C ATOM 105 O VAL A 10 -5.500 7.149 0.165 1.00 0.00 O ATOM 106 CB VAL A 10 -4.737 4.672 2.092 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.954 3.230 2.526 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.653 4.760 1.028 1.00 0.00 C ATOM 0 H VAL A 10 -5.868 4.561 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.821 5.175 2.339 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.408 5.242 2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.014 2.814 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.697 3.198 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.307 2.644 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.731 4.323 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.971 4.215 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.480 5.805 0.771 1.00 0.00 H new ATOM 118 N PHE A 11 -6.017 7.594 2.309 1.00 0.00 N ATOM 119 CA PHE A 11 -5.839 9.034 2.168 1.00 0.00 C ATOM 120 C PHE A 11 -4.524 9.484 2.798 1.00 0.00 C ATOM 121 O PHE A 11 -4.359 9.436 4.017 1.00 0.00 O ATOM 122 CB PHE A 11 -7.008 9.780 2.813 1.00 0.00 C ATOM 123 CG PHE A 11 -8.318 9.563 2.110 1.00 0.00 C ATOM 124 CD1 PHE A 11 -9.039 8.396 2.305 1.00 0.00 C ATOM 125 CD2 PHE A 11 -8.829 10.527 1.255 1.00 0.00 C ATOM 126 CE1 PHE A 11 -10.244 8.194 1.659 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.033 10.330 0.607 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.742 9.163 0.810 1.00 0.00 C ATOM 0 H PHE A 11 -6.291 7.293 3.244 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.811 9.268 1.104 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.104 9.461 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.785 10.847 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.655 7.636 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.280 11.443 1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.796 7.279 1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.419 11.088 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.684 9.008 0.306 1.00 0.00 H new ATOM 138 N VAL A 12 -3.591 9.922 1.959 1.00 0.00 N ATOM 139 CA VAL A 12 -2.291 10.381 2.432 1.00 0.00 C ATOM 140 C VAL A 12 -2.318 11.872 2.751 1.00 0.00 C ATOM 141 O VAL A 12 -2.368 12.710 1.851 1.00 0.00 O ATOM 142 CB VAL A 12 -1.187 10.110 1.393 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.135 10.710 1.849 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.046 8.616 1.145 1.00 0.00 C ATOM 0 H VAL A 12 -3.712 9.969 0.947 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.069 9.821 3.341 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.470 10.587 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.903 10.508 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.022 11.787 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.428 10.265 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.262 8.442 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.786 8.115 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.990 8.219 0.771 1.00 0.00 H new ATOM 154 N LYS A 13 -2.284 12.196 4.040 1.00 0.00 N ATOM 155 CA LYS A 13 -2.302 13.586 4.480 1.00 0.00 C ATOM 156 C LYS A 13 -0.899 14.184 4.452 1.00 0.00 C ATOM 157 O LYS A 13 0.035 13.626 5.025 1.00 0.00 O ATOM 158 CB LYS A 13 -2.883 13.687 5.892 1.00 0.00 C ATOM 159 CG LYS A 13 -3.298 15.096 6.279 1.00 0.00 C ATOM 160 CD LYS A 13 -3.898 15.137 7.675 1.00 0.00 C ATOM 161 CE LYS A 13 -3.999 16.562 8.196 1.00 0.00 C ATOM 162 NZ LYS A 13 -4.919 16.662 9.363 1.00 0.00 N ATOM 0 H LYS A 13 -2.244 11.514 4.798 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.932 14.151 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.748 13.029 5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.144 13.326 6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.432 15.756 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.024 15.473 5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.889 14.683 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.285 14.543 8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.008 16.915 8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.351 17.216 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.961 17.649 9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.871 16.349 9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.569 16.058 10.134 1.00 0.00 H new ATOM 176 N ASN A 14 -0.760 15.324 3.782 1.00 0.00 N ATOM 177 CA ASN A 14 0.529 15.998 3.680 1.00 0.00 C ATOM 178 C ASN A 14 0.688 17.037 4.786 1.00 0.00 C ATOM 179 O ASN A 14 -0.279 17.647 5.244 1.00 0.00 O ATOM 180 CB ASN A 14 0.671 16.668 2.312 1.00 0.00 C ATOM 181 CG ASN A 14 -0.541 17.505 1.949 1.00 0.00 C ATOM 182 OD1 ASN A 14 -1.271 17.971 2.824 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.759 17.699 0.654 1.00 0.00 N ATOM 0 H ASN A 14 -1.524 15.800 3.302 1.00 0.00 H new ATOM 0 HA ASN A 14 1.313 15.249 3.793 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.559 17.300 2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.823 15.903 1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.559 18.254 0.349 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.127 17.293 -0.036 1.00 0.00 H new ATOM 190 N PRO A 15 1.938 17.245 5.227 1.00 0.00 N ATOM 191 CA PRO A 15 2.254 18.210 6.284 1.00 0.00 C ATOM 192 C PRO A 15 2.072 19.653 5.825 1.00 0.00 C ATOM 193 O PRO A 15 2.329 20.591 6.579 1.00 0.00 O ATOM 194 CB PRO A 15 3.727 17.929 6.592 1.00 0.00 C ATOM 195 CG PRO A 15 4.269 17.334 5.339 1.00 0.00 C ATOM 196 CD PRO A 15 3.138 16.554 4.728 1.00 0.00 C ATOM 0 HA PRO A 15 1.596 18.101 7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.257 18.843 6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.832 17.244 7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.620 18.110 4.659 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.120 16.687 5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.184 16.565 3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.158 15.509 5.037 1.00 0.00 H new ATOM 204 N ASP A 16 1.626 19.822 4.585 1.00 0.00 N ATOM 205 CA ASP A 16 1.408 21.151 4.026 1.00 0.00 C ATOM 206 C ASP A 16 -0.075 21.510 4.042 1.00 0.00 C ATOM 207 O ASP A 16 -0.443 22.662 4.271 1.00 0.00 O ATOM 208 CB ASP A 16 1.946 21.221 2.596 1.00 0.00 C ATOM 209 CG ASP A 16 1.992 22.640 2.064 1.00 0.00 C ATOM 210 OD1 ASP A 16 1.273 23.502 2.610 1.00 0.00 O ATOM 211 OD2 ASP A 16 2.746 22.888 1.100 1.00 0.00 O ATOM 0 H ASP A 16 1.408 19.056 3.948 1.00 0.00 H new ATOM 0 HA ASP A 16 1.945 21.871 4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.948 20.792 2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.319 20.612 1.945 1.00 0.00 H new ATOM 216 N GLY A 17 -0.923 20.516 3.797 1.00 0.00 N ATOM 217 CA GLY A 17 -2.355 20.747 3.787 1.00 0.00 C ATOM 218 C GLY A 17 -3.037 20.114 2.590 1.00 0.00 C ATOM 219 O GLY A 17 -2.893 20.587 1.463 1.00 0.00 O ATOM 0 H GLY A 17 -0.643 19.554 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.791 20.347 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.547 21.820 3.785 1.00 0.00 H new ATOM 223 N GLY A 18 -3.780 19.039 2.834 1.00 0.00 N ATOM 224 CA GLY A 18 -4.473 18.356 1.758 1.00 0.00 C ATOM 225 C GLY A 18 -4.161 16.874 1.715 1.00 0.00 C ATOM 226 O GLY A 18 -3.006 16.472 1.859 1.00 0.00 O ATOM 0 H GLY A 18 -3.914 18.629 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.548 18.494 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.197 18.810 0.806 1.00 0.00 H new ATOM 230 N SER A 19 -5.191 16.059 1.517 1.00 0.00 N ATOM 231 CA SER A 19 -5.022 14.611 1.461 1.00 0.00 C ATOM 232 C SER A 19 -5.404 14.072 0.086 1.00 0.00 C ATOM 233 O SER A 19 -6.367 14.532 -0.528 1.00 0.00 O ATOM 234 CB SER A 19 -5.869 13.935 2.541 1.00 0.00 C ATOM 235 OG SER A 19 -5.289 12.709 2.952 1.00 0.00 O ATOM 0 H SER A 19 -6.152 16.376 1.392 1.00 0.00 H new ATOM 0 HA SER A 19 -3.971 14.385 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.968 14.600 3.399 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.874 13.755 2.160 1.00 0.00 H new ATOM 0 HG SER A 19 -5.712 12.410 3.784 1.00 0.00 H new ATOM 241 N TYR A 20 -4.643 13.094 -0.391 1.00 0.00 N ATOM 242 CA TYR A 20 -4.899 12.493 -1.694 1.00 0.00 C ATOM 243 C TYR A 20 -5.343 11.040 -1.547 1.00 0.00 C ATOM 244 O TYR A 20 -4.941 10.349 -0.612 1.00 0.00 O ATOM 245 CB TYR A 20 -3.647 12.568 -2.569 1.00 0.00 C ATOM 246 CG TYR A 20 -2.846 13.835 -2.372 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.327 15.061 -2.812 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.607 13.805 -1.743 1.00 0.00 C ATOM 249 CE1 TYR A 20 -2.598 16.221 -2.634 1.00 0.00 C ATOM 250 CE2 TYR A 20 -0.871 14.960 -1.559 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.370 16.165 -2.007 1.00 0.00 C ATOM 252 OH TYR A 20 -0.642 17.318 -1.826 1.00 0.00 O ATOM 0 H TYR A 20 -3.844 12.700 0.105 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.703 13.053 -2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.011 11.709 -2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.941 12.493 -3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.288 15.109 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.213 12.863 -1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.987 17.166 -2.983 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.090 14.919 -1.067 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.220 18.096 -1.973 1.00 0.00 H new ATOM 262 N ALA A 21 -6.175 10.585 -2.478 1.00 0.00 N ATOM 263 CA ALA A 21 -6.673 9.215 -2.454 1.00 0.00 C ATOM 264 C ALA A 21 -5.812 8.304 -3.322 1.00 0.00 C ATOM 265 O ALA A 21 -5.832 8.400 -4.549 1.00 0.00 O ATOM 266 CB ALA A 21 -8.122 9.172 -2.915 1.00 0.00 C ATOM 0 H ALA A 21 -6.518 11.145 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.620 8.852 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.481 8.143 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.733 9.784 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.192 9.558 -3.932 1.00 0.00 H new ATOM 272 N TYR A 22 -5.057 7.421 -2.677 1.00 0.00 N ATOM 273 CA TYR A 22 -4.187 6.494 -3.391 1.00 0.00 C ATOM 274 C TYR A 22 -4.835 5.118 -3.507 1.00 0.00 C ATOM 275 O TYR A 22 -5.772 4.797 -2.777 1.00 0.00 O ATOM 276 CB TYR A 22 -2.838 6.377 -2.679 1.00 0.00 C ATOM 277 CG TYR A 22 -1.882 7.502 -3.004 1.00 0.00 C ATOM 278 CD1 TYR A 22 -2.004 8.743 -2.392 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.855 7.323 -3.923 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.133 9.773 -2.687 1.00 0.00 C ATOM 281 CE2 TYR A 22 0.022 8.347 -4.223 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.121 9.571 -3.602 1.00 0.00 C ATOM 283 OH TYR A 22 0.750 10.594 -3.898 1.00 0.00 O ATOM 0 H TYR A 22 -5.030 7.328 -1.662 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.027 6.886 -4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.006 6.354 -1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.375 5.428 -2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.794 8.905 -1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.741 6.366 -4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.244 10.732 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.815 8.191 -4.939 1.00 0.00 H new ATOM 0 HH TYR A 22 0.850 11.175 -3.115 1.00 0.00 H new ATOM 293 N ALA A 23 -4.327 4.308 -4.430 1.00 0.00 N ATOM 294 CA ALA A 23 -4.853 2.965 -4.641 1.00 0.00 C ATOM 295 C ALA A 23 -3.743 1.923 -4.568 1.00 0.00 C ATOM 296 O ALA A 23 -2.739 2.021 -5.275 1.00 0.00 O ATOM 297 CB ALA A 23 -5.569 2.883 -5.981 1.00 0.00 C ATOM 0 H ALA A 23 -3.552 4.559 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.568 2.753 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.957 1.875 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.394 3.595 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.870 3.121 -6.782 1.00 0.00 H new ATOM 303 N ILE A 24 -3.929 0.925 -3.711 1.00 0.00 N ATOM 304 CA ILE A 24 -2.943 -0.135 -3.547 1.00 0.00 C ATOM 305 C ILE A 24 -3.562 -1.366 -2.894 1.00 0.00 C ATOM 306 O ILE A 24 -4.468 -1.254 -2.069 1.00 0.00 O ATOM 307 CB ILE A 24 -1.747 0.335 -2.698 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.952 -0.869 -2.186 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.226 1.193 -1.536 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.437 -0.514 -1.704 1.00 0.00 C ATOM 0 H ILE A 24 -4.754 0.829 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.590 -0.395 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.091 0.940 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.502 -1.337 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.873 -1.608 -2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.369 1.517 -0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.752 2.066 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.900 0.611 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.943 -1.415 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.005 -0.073 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.366 0.202 -0.885 1.00 0.00 H new ATOM 322 N ASN A 25 -3.066 -2.541 -3.268 1.00 0.00 N ATOM 323 CA ASN A 25 -3.570 -3.794 -2.718 1.00 0.00 C ATOM 324 C ASN A 25 -3.015 -4.035 -1.317 1.00 0.00 C ATOM 325 O ASN A 25 -1.868 -3.709 -1.012 1.00 0.00 O ATOM 326 CB ASN A 25 -3.199 -4.963 -3.633 1.00 0.00 C ATOM 327 CG ASN A 25 -3.953 -4.929 -4.948 1.00 0.00 C ATOM 328 OD1 ASN A 25 -4.243 -3.858 -5.483 1.00 0.00 O ATOM 329 ND2 ASN A 25 -4.276 -6.104 -5.476 1.00 0.00 N ATOM 0 H ASN A 25 -2.315 -2.652 -3.950 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.656 -3.723 -2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.127 -4.940 -3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.409 -5.902 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.785 -6.144 -6.359 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.015 -6.967 -4.998 1.00 0.00 H new ATOM 336 N PRO A 26 -3.848 -4.621 -0.444 1.00 0.00 N ATOM 337 CA PRO A 26 -3.463 -4.920 0.939 1.00 0.00 C ATOM 338 C PRO A 26 -2.431 -6.038 1.024 1.00 0.00 C ATOM 339 O PRO A 26 -1.715 -6.161 2.017 1.00 0.00 O ATOM 340 CB PRO A 26 -4.779 -5.357 1.587 1.00 0.00 C ATOM 341 CG PRO A 26 -5.607 -5.865 0.457 1.00 0.00 C ATOM 342 CD PRO A 26 -5.230 -5.036 -0.739 1.00 0.00 C ATOM 0 HA PRO A 26 -2.996 -4.064 1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.614 -6.131 2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.267 -4.524 2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.413 -6.922 0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.670 -5.769 0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.288 -5.613 -1.662 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.891 -4.177 -0.857 1.00 0.00 H new ATOM 350 N ASN A 27 -2.358 -6.852 -0.025 1.00 0.00 N ATOM 351 CA ASN A 27 -1.412 -7.961 -0.068 1.00 0.00 C ATOM 352 C ASN A 27 0.004 -7.458 -0.332 1.00 0.00 C ATOM 353 O ASN A 27 0.981 -8.071 0.098 1.00 0.00 O ATOM 354 CB ASN A 27 -1.819 -8.964 -1.149 1.00 0.00 C ATOM 355 CG ASN A 27 -0.666 -9.849 -1.580 1.00 0.00 C ATOM 356 OD1 ASN A 27 -0.002 -10.471 -0.750 1.00 0.00 O ATOM 357 ND2 ASN A 27 -0.422 -9.910 -2.884 1.00 0.00 N ATOM 0 H ASN A 27 -2.943 -6.764 -0.856 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.427 -8.457 0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.632 -9.587 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.203 -8.425 -2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.341 -10.489 -3.233 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.998 -9.378 -3.536 1.00 0.00 H new ATOM 364 N SER A 28 0.106 -6.339 -1.041 1.00 0.00 N ATOM 365 CA SER A 28 1.402 -5.755 -1.365 1.00 0.00 C ATOM 366 C SER A 28 2.042 -5.132 -0.127 1.00 0.00 C ATOM 367 O SER A 28 1.349 -4.693 0.790 1.00 0.00 O ATOM 368 CB SER A 28 1.249 -4.698 -2.460 1.00 0.00 C ATOM 369 OG SER A 28 1.359 -5.278 -3.748 1.00 0.00 O ATOM 0 H SER A 28 -0.693 -5.818 -1.402 1.00 0.00 H new ATOM 0 HA SER A 28 2.052 -6.552 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.282 -4.205 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.012 -3.930 -2.337 1.00 0.00 H new ATOM 0 HG SER A 28 1.256 -4.582 -4.430 1.00 0.00 H new ATOM 375 N PHE A 29 3.370 -5.099 -0.110 1.00 0.00 N ATOM 376 CA PHE A 29 4.106 -4.532 1.015 1.00 0.00 C ATOM 377 C PHE A 29 3.659 -3.099 1.289 1.00 0.00 C ATOM 378 O PHE A 29 2.868 -2.529 0.537 1.00 0.00 O ATOM 379 CB PHE A 29 5.610 -4.565 0.736 1.00 0.00 C ATOM 380 CG PHE A 29 6.141 -5.945 0.471 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.935 -6.967 1.384 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.844 -6.220 -0.690 1.00 0.00 C ATOM 383 CE1 PHE A 29 6.423 -8.237 1.143 1.00 0.00 C ATOM 384 CE2 PHE A 29 7.334 -7.488 -0.936 1.00 0.00 C ATOM 385 CZ PHE A 29 7.123 -8.499 -0.019 1.00 0.00 C ATOM 0 H PHE A 29 3.959 -5.458 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 29 3.894 -5.135 1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.826 -3.930 -0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.139 -4.138 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.387 -6.769 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.011 -5.434 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.257 -9.025 1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.882 -7.689 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.504 -9.491 -0.210 1.00 0.00 H new ATOM 395 N ILE A 30 4.172 -2.523 2.372 1.00 0.00 N ATOM 396 CA ILE A 30 3.827 -1.157 2.746 1.00 0.00 C ATOM 397 C ILE A 30 4.554 -0.146 1.866 1.00 0.00 C ATOM 398 O ILE A 30 3.986 0.873 1.473 1.00 0.00 O ATOM 399 CB ILE A 30 4.165 -0.875 4.221 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.376 -1.813 5.137 1.00 0.00 C ATOM 401 CG2 ILE A 30 3.872 0.578 4.564 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.884 -1.568 5.112 1.00 0.00 C ATOM 0 H ILE A 30 4.828 -2.981 3.005 1.00 0.00 H new ATOM 0 HA ILE A 30 2.752 -1.052 2.602 1.00 0.00 H new ATOM 0 HB ILE A 30 5.229 -1.057 4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.572 -2.844 4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.738 -1.699 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.116 0.761 5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.474 1.230 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.815 0.785 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.389 -2.269 5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.677 -0.548 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.509 -1.711 4.099 1.00 0.00 H new ATOM 414 N LEU A 31 5.814 -0.435 1.560 1.00 0.00 N ATOM 415 CA LEU A 31 6.620 0.449 0.725 1.00 0.00 C ATOM 416 C LEU A 31 5.874 0.822 -0.552 1.00 0.00 C ATOM 417 O LEU A 31 5.818 1.990 -0.931 1.00 0.00 O ATOM 418 CB LEU A 31 7.950 -0.222 0.375 1.00 0.00 C ATOM 419 CG LEU A 31 8.982 0.661 -0.329 1.00 0.00 C ATOM 420 CD1 LEU A 31 10.291 -0.091 -0.513 1.00 0.00 C ATOM 421 CD2 LEU A 31 8.447 1.140 -1.671 1.00 0.00 C ATOM 0 H LEU A 31 6.299 -1.274 1.877 1.00 0.00 H new ATOM 0 HA LEU A 31 6.817 1.361 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.394 -0.604 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.744 -1.083 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 31 9.173 1.533 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.013 0.553 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.682 -0.384 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.117 -0.982 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.194 1.767 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.227 0.280 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.536 1.717 -1.514 1.00 0.00 H new ATOM 433 N GLY A 32 5.300 -0.181 -1.210 1.00 0.00 N ATOM 434 CA GLY A 32 4.562 0.062 -2.436 1.00 0.00 C ATOM 435 C GLY A 32 3.676 1.289 -2.346 1.00 0.00 C ATOM 436 O GLY A 32 3.391 1.934 -3.356 1.00 0.00 O ATOM 0 H GLY A 32 5.333 -1.157 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.264 0.184 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.949 -0.809 -2.666 1.00 0.00 H new ATOM 440 N LEU A 33 3.238 1.613 -1.134 1.00 0.00 N ATOM 441 CA LEU A 33 2.377 2.770 -0.916 1.00 0.00 C ATOM 442 C LEU A 33 3.158 4.069 -1.084 1.00 0.00 C ATOM 443 O LEU A 33 2.685 5.013 -1.718 1.00 0.00 O ATOM 444 CB LEU A 33 1.757 2.712 0.481 1.00 0.00 C ATOM 445 CG LEU A 33 1.018 3.970 0.940 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.016 4.389 -0.093 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.360 3.738 2.293 1.00 0.00 C ATOM 0 H LEU A 33 3.465 1.091 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 33 1.582 2.746 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.061 1.874 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.548 2.497 1.199 1.00 0.00 H new ATOM 0 HG LEU A 33 1.744 4.777 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.531 5.286 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.480 4.597 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.739 3.585 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.161 4.643 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.353 2.917 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.123 3.487 3.030 1.00 0.00 H new ATOM 459 N LYS A 34 4.358 4.110 -0.515 1.00 0.00 N ATOM 460 CA LYS A 34 5.208 5.292 -0.604 1.00 0.00 C ATOM 461 C LYS A 34 5.625 5.554 -2.048 1.00 0.00 C ATOM 462 O LYS A 34 5.526 6.678 -2.537 1.00 0.00 O ATOM 463 CB LYS A 34 6.450 5.120 0.274 1.00 0.00 C ATOM 464 CG LYS A 34 6.188 5.360 1.750 1.00 0.00 C ATOM 465 CD LYS A 34 5.816 4.073 2.468 1.00 0.00 C ATOM 466 CE LYS A 34 7.046 3.365 3.015 1.00 0.00 C ATOM 467 NZ LYS A 34 6.682 2.264 3.950 1.00 0.00 N ATOM 0 H LYS A 34 4.764 3.338 0.013 1.00 0.00 H new ATOM 0 HA LYS A 34 4.635 6.149 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.841 4.111 0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.223 5.809 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.076 5.792 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.384 6.087 1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.130 4.296 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.289 3.411 1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.630 2.961 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.680 4.085 3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.505 2.022 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.898 2.572 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.389 1.428 3.405 1.00 0.00 H new ATOM 481 N GLN A 35 6.091 4.508 -2.724 1.00 0.00 N ATOM 482 CA GLN A 35 6.523 4.627 -4.111 1.00 0.00 C ATOM 483 C GLN A 35 5.547 5.481 -4.914 1.00 0.00 C ATOM 484 O GLN A 35 5.951 6.238 -5.796 1.00 0.00 O ATOM 485 CB GLN A 35 6.649 3.242 -4.748 1.00 0.00 C ATOM 486 CG GLN A 35 6.965 3.282 -6.235 1.00 0.00 C ATOM 487 CD GLN A 35 8.447 3.437 -6.513 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.155 2.453 -6.732 1.00 0.00 O ATOM 489 NE2 GLN A 35 8.925 4.676 -6.506 1.00 0.00 N ATOM 0 H GLN A 35 6.179 3.570 -2.334 1.00 0.00 H new ATOM 0 HA GLN A 35 7.498 5.115 -4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.432 2.685 -4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.718 2.696 -4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.605 2.366 -6.704 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.424 4.109 -6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.302 5.462 -6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.915 4.842 -6.687 1.00 0.00 H new ATOM 498 N GLN A 36 4.261 5.354 -4.601 1.00 0.00 N ATOM 499 CA GLN A 36 3.228 6.114 -5.294 1.00 0.00 C ATOM 500 C GLN A 36 3.248 7.578 -4.864 1.00 0.00 C ATOM 501 O GLN A 36 2.965 8.473 -5.661 1.00 0.00 O ATOM 502 CB GLN A 36 1.850 5.509 -5.022 1.00 0.00 C ATOM 503 CG GLN A 36 1.580 4.235 -5.805 1.00 0.00 C ATOM 504 CD GLN A 36 0.119 3.830 -5.774 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.662 4.215 -6.644 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.258 3.049 -4.769 1.00 0.00 N ATOM 0 H GLN A 36 3.910 4.732 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 36 3.433 6.065 -6.363 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.759 5.297 -3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.084 6.245 -5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.892 4.376 -6.840 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.186 3.426 -5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.423 2.753 -4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.229 2.744 -4.696 1.00 0.00 H new ATOM 515 N ILE A 37 3.584 7.813 -3.600 1.00 0.00 N ATOM 516 CA ILE A 37 3.641 9.168 -3.066 1.00 0.00 C ATOM 517 C ILE A 37 4.887 9.899 -3.554 1.00 0.00 C ATOM 518 O ILE A 37 4.864 11.111 -3.765 1.00 0.00 O ATOM 519 CB ILE A 37 3.631 9.166 -1.526 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.401 8.421 -1.003 1.00 0.00 C ATOM 521 CG2 ILE A 37 3.660 10.591 -0.994 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.581 7.861 0.391 1.00 0.00 C ATOM 0 H ILE A 37 3.821 7.084 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 37 2.753 9.688 -3.427 1.00 0.00 H new ATOM 0 HB ILE A 37 4.523 8.649 -1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.547 9.099 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.163 7.605 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.653 10.573 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.564 11.091 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.785 11.132 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.670 7.346 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.414 7.158 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.789 8.675 1.086 1.00 0.00 H new ATOM 534 N GLU A 38 5.973 9.154 -3.732 1.00 0.00 N ATOM 535 CA GLU A 38 7.228 9.732 -4.197 1.00 0.00 C ATOM 536 C GLU A 38 7.155 10.070 -5.683 1.00 0.00 C ATOM 537 O GLU A 38 7.544 11.159 -6.103 1.00 0.00 O ATOM 538 CB GLU A 38 8.387 8.766 -3.939 1.00 0.00 C ATOM 539 CG GLU A 38 9.657 9.124 -4.692 1.00 0.00 C ATOM 540 CD GLU A 38 9.684 8.551 -6.096 1.00 0.00 C ATOM 541 OE1 GLU A 38 9.297 7.376 -6.263 1.00 0.00 O ATOM 542 OE2 GLU A 38 10.091 9.277 -7.026 1.00 0.00 O ATOM 0 H GLU A 38 6.009 8.149 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 38 7.401 10.653 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.602 8.746 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.079 7.759 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.750 10.209 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.520 8.756 -4.137 1.00 0.00 H new ATOM 549 N ASP A 39 6.653 9.127 -6.474 1.00 0.00 N ATOM 550 CA ASP A 39 6.528 9.323 -7.913 1.00 0.00 C ATOM 551 C ASP A 39 5.499 10.406 -8.226 1.00 0.00 C ATOM 552 O ASP A 39 5.526 11.008 -9.299 1.00 0.00 O ATOM 553 CB ASP A 39 6.131 8.013 -8.596 1.00 0.00 C ATOM 554 CG ASP A 39 6.663 7.914 -10.012 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.899 7.848 -10.178 1.00 0.00 O ATOM 556 OD2 ASP A 39 5.843 7.900 -10.953 1.00 0.00 O ATOM 0 H ASP A 39 6.326 8.220 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 39 7.496 9.644 -8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.506 7.173 -8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.044 7.930 -8.613 1.00 0.00 H new ATOM 561 N GLN A 40 4.595 10.646 -7.283 1.00 0.00 N ATOM 562 CA GLN A 40 3.557 11.655 -7.459 1.00 0.00 C ATOM 563 C GLN A 40 4.004 13.000 -6.897 1.00 0.00 C ATOM 564 O GLN A 40 4.084 13.991 -7.622 1.00 0.00 O ATOM 565 CB GLN A 40 2.261 11.209 -6.779 1.00 0.00 C ATOM 566 CG GLN A 40 1.401 10.303 -7.644 1.00 0.00 C ATOM 567 CD GLN A 40 0.809 11.025 -8.838 1.00 0.00 C ATOM 568 OE1 GLN A 40 1.376 11.008 -9.932 1.00 0.00 O ATOM 569 NE2 GLN A 40 -0.336 11.666 -8.636 1.00 0.00 N ATOM 0 H GLN A 40 4.560 10.156 -6.389 1.00 0.00 H new ATOM 0 HA GLN A 40 3.376 11.771 -8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.507 10.688 -5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.683 12.091 -6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.002 9.463 -7.993 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.595 9.888 -7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.771 11.654 -7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.780 12.170 -9.403 1.00 0.00 H new ATOM 578 N GLN A 41 4.293 13.027 -5.600 1.00 0.00 N ATOM 579 CA GLN A 41 4.731 14.251 -4.940 1.00 0.00 C ATOM 580 C GLN A 41 6.187 14.559 -5.275 1.00 0.00 C ATOM 581 O GLN A 41 6.581 15.721 -5.363 1.00 0.00 O ATOM 582 CB GLN A 41 4.559 14.129 -3.425 1.00 0.00 C ATOM 583 CG GLN A 41 3.118 13.914 -2.992 1.00 0.00 C ATOM 584 CD GLN A 41 2.834 14.472 -1.611 1.00 0.00 C ATOM 585 OE1 GLN A 41 3.303 13.774 -0.583 1.00 0.00 O flip ATOM 586 NE2 GLN A 41 2.200 15.518 -1.470 1.00 0.00 N flip ATOM 0 H GLN A 41 4.232 12.215 -4.985 1.00 0.00 H new ATOM 0 HA GLN A 41 4.112 15.071 -5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.166 13.298 -3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.941 15.033 -2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.451 14.385 -3.714 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.895 12.847 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.858 16.022 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.016 15.881 -0.535 1.00 0.00 H new ATOM 595 N GLY A 42 6.982 13.510 -5.460 1.00 0.00 N ATOM 596 CA GLY A 42 8.385 13.689 -5.783 1.00 0.00 C ATOM 597 C GLY A 42 9.290 13.448 -4.591 1.00 0.00 C ATOM 598 O GLY A 42 10.487 13.208 -4.750 1.00 0.00 O ATOM 0 H GLY A 42 6.679 12.538 -5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.659 13.006 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.542 14.701 -6.156 1.00 0.00 H new ATOM 602 N LEU A 43 8.718 13.512 -3.394 1.00 0.00 N ATOM 603 CA LEU A 43 9.481 13.300 -2.169 1.00 0.00 C ATOM 604 C LEU A 43 10.019 11.874 -2.103 1.00 0.00 C ATOM 605 O LEU A 43 9.325 10.907 -2.417 1.00 0.00 O ATOM 606 CB LEU A 43 8.608 13.585 -0.945 1.00 0.00 C ATOM 607 CG LEU A 43 9.338 14.109 0.292 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.425 15.011 1.108 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.846 12.953 1.142 1.00 0.00 C ATOM 0 H LEU A 43 7.728 13.709 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 43 10.326 13.988 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.846 14.312 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.087 12.667 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 43 10.195 14.696 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.961 15.375 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.110 15.858 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.548 14.448 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.363 13.345 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.004 12.339 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.535 12.346 0.556 1.00 0.00 H new ATOM 621 N PRO A 44 11.286 11.738 -1.682 1.00 0.00 N ATOM 622 CA PRO A 44 11.944 10.434 -1.562 1.00 0.00 C ATOM 623 C PRO A 44 11.372 9.599 -0.422 1.00 0.00 C ATOM 624 O PRO A 44 10.799 10.134 0.527 1.00 0.00 O ATOM 625 CB PRO A 44 13.404 10.799 -1.278 1.00 0.00 C ATOM 626 CG PRO A 44 13.342 12.150 -0.654 1.00 0.00 C ATOM 627 CD PRO A 44 12.172 12.847 -1.291 1.00 0.00 C ATOM 0 HA PRO A 44 11.808 9.825 -2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.870 10.075 -0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.994 10.813 -2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.211 12.076 0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.266 12.702 -0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.681 13.527 -0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.478 13.440 -2.153 1.00 0.00 H new ATOM 635 N LYS A 45 11.533 8.283 -0.520 1.00 0.00 N ATOM 636 CA LYS A 45 11.034 7.373 0.503 1.00 0.00 C ATOM 637 C LYS A 45 11.889 7.451 1.764 1.00 0.00 C ATOM 638 O LYS A 45 11.431 7.123 2.859 1.00 0.00 O ATOM 639 CB LYS A 45 11.019 5.937 -0.026 1.00 0.00 C ATOM 640 CG LYS A 45 10.265 5.780 -1.336 1.00 0.00 C ATOM 641 CD LYS A 45 10.750 4.570 -2.116 1.00 0.00 C ATOM 642 CE LYS A 45 10.872 3.344 -1.224 1.00 0.00 C ATOM 643 NZ LYS A 45 12.202 3.272 -0.559 1.00 0.00 N ATOM 0 H LYS A 45 12.006 7.824 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 45 10.017 7.672 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.046 5.599 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.568 5.287 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.199 5.680 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.392 6.678 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.058 4.360 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.717 4.791 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.088 3.366 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.715 2.445 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.541 2.289 -0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.879 3.875 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.117 3.602 0.423 1.00 0.00 H new ATOM 657 N LYS A 46 13.133 7.890 1.604 1.00 0.00 N ATOM 658 CA LYS A 46 14.052 8.015 2.729 1.00 0.00 C ATOM 659 C LYS A 46 13.707 9.233 3.580 1.00 0.00 C ATOM 660 O LYS A 46 14.417 9.557 4.532 1.00 0.00 O ATOM 661 CB LYS A 46 15.493 8.121 2.228 1.00 0.00 C ATOM 662 CG LYS A 46 15.721 9.280 1.273 1.00 0.00 C ATOM 663 CD LYS A 46 17.172 9.732 1.280 1.00 0.00 C ATOM 664 CE LYS A 46 17.998 8.973 0.253 1.00 0.00 C ATOM 665 NZ LYS A 46 17.886 9.576 -1.104 1.00 0.00 N ATOM 0 H LYS A 46 13.528 8.165 0.705 1.00 0.00 H new ATOM 0 HA LYS A 46 13.954 7.122 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.159 8.230 3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.765 7.191 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.437 8.982 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.078 10.115 1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.222 10.801 1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.596 9.581 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 46 19.043 8.965 0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.668 7.935 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.463 9.030 -1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.892 9.561 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.224 10.559 -1.076 1.00 0.00 H new ATOM 679 N GLN A 47 12.613 9.903 3.232 1.00 0.00 N ATOM 680 CA GLN A 47 12.175 11.084 3.965 1.00 0.00 C ATOM 681 C GLN A 47 10.713 10.957 4.379 1.00 0.00 C ATOM 682 O GLN A 47 10.332 11.361 5.477 1.00 0.00 O ATOM 683 CB GLN A 47 12.370 12.340 3.114 1.00 0.00 C ATOM 684 CG GLN A 47 13.791 12.878 3.139 1.00 0.00 C ATOM 685 CD GLN A 47 13.886 14.301 2.626 1.00 0.00 C ATOM 686 OE1 GLN A 47 14.545 14.569 1.621 1.00 0.00 O ATOM 687 NE2 GLN A 47 13.225 15.224 3.316 1.00 0.00 N ATOM 0 H GLN A 47 12.014 9.648 2.447 1.00 0.00 H new ATOM 0 HA GLN A 47 12.782 11.167 4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.093 12.117 2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.690 13.116 3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.173 12.838 4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.430 12.234 2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.691 14.957 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.251 16.199 3.018 1.00 0.00 H new ATOM 696 N GLN A 48 9.899 10.395 3.491 1.00 0.00 N ATOM 697 CA GLN A 48 8.477 10.217 3.765 1.00 0.00 C ATOM 698 C GLN A 48 8.249 9.048 4.717 1.00 0.00 C ATOM 699 O GLN A 48 8.574 7.904 4.399 1.00 0.00 O ATOM 700 CB GLN A 48 7.711 9.986 2.461 1.00 0.00 C ATOM 701 CG GLN A 48 7.620 8.522 2.060 1.00 0.00 C ATOM 702 CD GLN A 48 7.057 8.334 0.665 1.00 0.00 C ATOM 703 OE1 GLN A 48 6.005 7.718 0.486 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.755 8.863 -0.332 1.00 0.00 N ATOM 0 H GLN A 48 10.199 10.056 2.577 1.00 0.00 H new ATOM 0 HA GLN A 48 8.107 11.126 4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.704 10.389 2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.197 10.544 1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.612 8.073 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.992 7.991 2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.621 9.365 -0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.425 8.767 -1.292 1.00 0.00 H new ATOM 713 N GLN A 49 7.688 9.343 5.885 1.00 0.00 N ATOM 714 CA GLN A 49 7.418 8.316 6.884 1.00 0.00 C ATOM 715 C GLN A 49 5.957 8.352 7.320 1.00 0.00 C ATOM 716 O GLN A 49 5.518 9.295 7.979 1.00 0.00 O ATOM 717 CB GLN A 49 8.329 8.502 8.098 1.00 0.00 C ATOM 718 CG GLN A 49 8.177 7.412 9.146 1.00 0.00 C ATOM 719 CD GLN A 49 8.898 7.740 10.439 1.00 0.00 C ATOM 720 OE1 GLN A 49 9.968 7.199 10.721 1.00 0.00 O ATOM 721 NE2 GLN A 49 8.315 8.631 11.232 1.00 0.00 N ATOM 0 H GLN A 49 7.412 10.285 6.163 1.00 0.00 H new ATOM 0 HA GLN A 49 7.620 7.345 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.366 8.530 7.763 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.116 9.468 8.557 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.118 7.258 9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.563 6.474 8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.428 9.054 10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.754 8.892 12.115 1.00 0.00 H new ATOM 730 N LEU A 50 5.208 7.319 6.948 1.00 0.00 N ATOM 731 CA LEU A 50 3.795 7.232 7.300 1.00 0.00 C ATOM 732 C LEU A 50 3.609 6.509 8.629 1.00 0.00 C ATOM 733 O LEU A 50 4.211 5.462 8.866 1.00 0.00 O ATOM 734 CB LEU A 50 3.018 6.509 6.199 1.00 0.00 C ATOM 735 CG LEU A 50 2.986 7.200 4.835 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.870 6.173 3.719 1.00 0.00 C ATOM 737 CD2 LEU A 50 1.836 8.194 4.769 1.00 0.00 C ATOM 0 H LEU A 50 5.556 6.530 6.403 1.00 0.00 H new ATOM 0 HA LEU A 50 3.408 8.246 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.448 5.516 6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.991 6.370 6.538 1.00 0.00 H new ATOM 0 HG LEU A 50 3.920 7.746 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.849 6.683 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.726 5.499 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.952 5.600 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.828 8.677 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.893 7.670 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.962 8.949 5.545 1.00 0.00 H new ATOM 749 N GLU A 51 2.770 7.073 9.492 1.00 0.00 N ATOM 750 CA GLU A 51 2.504 6.479 10.797 1.00 0.00 C ATOM 751 C GLU A 51 1.018 6.175 10.964 1.00 0.00 C ATOM 752 O GLU A 51 0.162 6.965 10.564 1.00 0.00 O ATOM 753 CB GLU A 51 2.972 7.416 11.913 1.00 0.00 C ATOM 754 CG GLU A 51 4.481 7.573 11.983 1.00 0.00 C ATOM 755 CD GLU A 51 4.907 8.743 12.848 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.699 8.677 14.078 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.447 9.724 12.296 1.00 0.00 O ATOM 0 H GLU A 51 2.263 7.940 9.311 1.00 0.00 H new ATOM 0 HA GLU A 51 3.058 5.543 10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.520 8.397 11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.610 7.038 12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.920 6.656 12.377 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.875 7.708 10.976 1.00 0.00 H new ATOM 764 N PHE A 52 0.718 5.023 11.556 1.00 0.00 N ATOM 765 CA PHE A 52 -0.664 4.612 11.774 1.00 0.00 C ATOM 766 C PHE A 52 -0.918 4.323 13.251 1.00 0.00 C ATOM 767 O PHE A 52 -0.197 3.545 13.874 1.00 0.00 O ATOM 768 CB PHE A 52 -0.988 3.374 10.937 1.00 0.00 C ATOM 769 CG PHE A 52 -2.424 2.943 11.035 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.426 3.682 10.427 1.00 0.00 C ATOM 771 CD2 PHE A 52 -2.771 1.799 11.736 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.747 3.288 10.516 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.091 1.400 11.828 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.080 2.145 11.217 1.00 0.00 C ATOM 0 H PHE A 52 1.414 4.358 11.893 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.314 5.431 11.465 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.749 3.578 9.893 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.348 2.552 11.256 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.171 4.576 9.877 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.001 1.213 12.216 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.519 3.873 10.038 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.349 0.506 12.377 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.112 1.835 11.287 1.00 0.00 H new ATOM 784 N GLN A 53 -1.949 4.956 13.803 1.00 0.00 N ATOM 785 CA GLN A 53 -2.297 4.768 15.206 1.00 0.00 C ATOM 786 C GLN A 53 -1.093 5.022 16.105 1.00 0.00 C ATOM 787 O GLN A 53 -1.000 4.479 17.205 1.00 0.00 O ATOM 788 CB GLN A 53 -2.830 3.352 15.435 1.00 0.00 C ATOM 789 CG GLN A 53 -4.277 3.169 15.007 1.00 0.00 C ATOM 790 CD GLN A 53 -5.194 4.233 15.580 1.00 0.00 C ATOM 791 OE1 GLN A 53 -5.052 4.634 16.735 1.00 0.00 O ATOM 792 NE2 GLN A 53 -6.141 4.695 14.772 1.00 0.00 N ATOM 0 H GLN A 53 -2.557 5.603 13.300 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.075 5.488 15.461 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.206 2.645 14.888 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.739 3.105 16.493 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.336 3.192 13.919 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.624 2.186 15.325 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.222 4.333 13.822 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.788 5.412 15.102 1.00 0.00 H new ATOM 801 N GLY A 54 -0.170 5.854 15.630 1.00 0.00 N ATOM 802 CA GLY A 54 1.017 6.165 16.404 1.00 0.00 C ATOM 803 C GLY A 54 2.074 5.083 16.306 1.00 0.00 C ATOM 804 O GLY A 54 2.763 4.791 17.283 1.00 0.00 O ATOM 0 H GLY A 54 -0.224 6.318 14.723 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.436 7.110 16.057 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.739 6.304 17.449 1.00 0.00 H new ATOM 808 N GLN A 55 2.200 4.486 15.126 1.00 0.00 N ATOM 809 CA GLN A 55 3.178 3.427 14.906 1.00 0.00 C ATOM 810 C GLN A 55 3.930 3.644 13.597 1.00 0.00 C ATOM 811 O GLN A 55 3.334 3.990 12.577 1.00 0.00 O ATOM 812 CB GLN A 55 2.489 2.061 14.892 1.00 0.00 C ATOM 813 CG GLN A 55 1.928 1.677 13.533 1.00 0.00 C ATOM 814 CD GLN A 55 0.742 0.738 13.636 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.532 -0.067 12.601 1.00 0.00 O flip ATOM 816 NE2 GLN A 55 0.021 0.737 14.634 1.00 0.00 N flip ATOM 0 H GLN A 55 1.637 4.717 14.307 1.00 0.00 H new ATOM 0 HA GLN A 55 3.896 3.455 15.725 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.202 1.300 15.210 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.680 2.064 15.622 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.627 2.579 13.000 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.711 1.203 12.941 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.219 1.373 15.407 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.774 0.101 14.688 1.00 0.00 H new ATOM 825 N VAL A 56 5.243 3.438 13.633 1.00 0.00 N ATOM 826 CA VAL A 56 6.077 3.610 12.449 1.00 0.00 C ATOM 827 C VAL A 56 6.029 2.373 11.559 1.00 0.00 C ATOM 828 O VAL A 56 6.588 1.329 11.897 1.00 0.00 O ATOM 829 CB VAL A 56 7.541 3.897 12.831 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.386 4.111 11.584 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.623 5.104 13.754 1.00 0.00 C ATOM 0 H VAL A 56 5.752 3.152 14.469 1.00 0.00 H new ATOM 0 HA VAL A 56 5.678 4.464 11.902 1.00 0.00 H new ATOM 0 HB VAL A 56 7.936 3.032 13.364 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.417 4.313 11.874 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.352 3.216 10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.995 4.958 11.021 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.664 5.293 14.014 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.211 5.977 13.248 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.052 4.907 14.662 1.00 0.00 H new ATOM 841 N LEU A 57 5.357 2.498 10.419 1.00 0.00 N ATOM 842 CA LEU A 57 5.236 1.390 9.478 1.00 0.00 C ATOM 843 C LEU A 57 6.549 1.160 8.736 1.00 0.00 C ATOM 844 O LEU A 57 7.309 2.097 8.497 1.00 0.00 O ATOM 845 CB LEU A 57 4.113 1.666 8.477 1.00 0.00 C ATOM 846 CG LEU A 57 2.777 2.111 9.073 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.868 2.670 7.989 1.00 0.00 C ATOM 848 CD2 LEU A 57 2.102 0.953 9.793 1.00 0.00 C ATOM 0 H LEU A 57 4.888 3.355 10.125 1.00 0.00 H new ATOM 0 HA LEU A 57 4.997 0.489 10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.453 2.435 7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.944 0.762 7.892 1.00 0.00 H new ATOM 0 HG LEU A 57 2.970 2.901 9.799 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.922 2.981 8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.348 3.528 7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.682 1.902 7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.153 1.288 10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.922 0.142 9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.747 0.599 10.597 1.00 0.00 H new ATOM 860 N GLN A 58 6.806 -0.093 8.374 1.00 0.00 N ATOM 861 CA GLN A 58 8.026 -0.445 7.657 1.00 0.00 C ATOM 862 C GLN A 58 7.793 -0.439 6.150 1.00 0.00 C ATOM 863 O GLN A 58 6.707 -0.100 5.681 1.00 0.00 O ATOM 864 CB GLN A 58 8.525 -1.821 8.103 1.00 0.00 C ATOM 865 CG GLN A 58 8.642 -1.967 9.611 1.00 0.00 C ATOM 866 CD GLN A 58 9.821 -1.203 10.182 1.00 0.00 C ATOM 867 OE1 GLN A 58 10.643 -0.664 9.441 1.00 0.00 O ATOM 868 NE2 GLN A 58 9.910 -1.154 11.506 1.00 0.00 N ATOM 0 H GLN A 58 6.186 -0.880 8.565 1.00 0.00 H new ATOM 0 HA GLN A 58 8.784 0.302 7.891 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.846 -2.585 7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.499 -2.009 7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.723 -1.613 10.079 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.742 -3.023 9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.206 -1.615 12.082 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.683 -0.655 11.947 1.00 0.00 H new ATOM 877 N ASP A 59 8.821 -0.816 5.397 1.00 0.00 N ATOM 878 CA ASP A 59 8.728 -0.855 3.942 1.00 0.00 C ATOM 879 C ASP A 59 8.554 -2.287 3.446 1.00 0.00 C ATOM 880 O ASP A 59 7.930 -2.524 2.412 1.00 0.00 O ATOM 881 CB ASP A 59 9.976 -0.233 3.313 1.00 0.00 C ATOM 882 CG ASP A 59 11.210 -0.413 4.176 1.00 0.00 C ATOM 883 OD1 ASP A 59 11.400 0.388 5.116 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.985 -1.356 3.912 1.00 0.00 O ATOM 0 H ASP A 59 9.727 -1.099 5.770 1.00 0.00 H new ATOM 0 HA ASP A 59 7.853 -0.277 3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.150 -0.684 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.804 0.830 3.147 1.00 0.00 H new ATOM 889 N TRP A 60 9.109 -3.236 4.190 1.00 0.00 N ATOM 890 CA TRP A 60 9.015 -4.646 3.825 1.00 0.00 C ATOM 891 C TRP A 60 7.710 -5.252 4.327 1.00 0.00 C ATOM 892 O TRP A 60 7.128 -6.122 3.678 1.00 0.00 O ATOM 893 CB TRP A 60 10.205 -5.421 4.395 1.00 0.00 C ATOM 894 CG TRP A 60 10.038 -5.787 5.839 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.419 -6.898 6.336 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.496 -5.040 6.971 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.464 -6.887 7.709 1.00 0.00 N ATOM 898 CE2 TRP A 60 10.120 -5.758 8.123 1.00 0.00 C ATOM 899 CE3 TRP A 60 11.188 -3.836 7.123 1.00 0.00 C ATOM 900 CZ2 TRP A 60 10.413 -5.308 9.408 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.477 -3.391 8.399 1.00 0.00 C ATOM 902 CH2 TRP A 60 11.091 -4.126 9.528 1.00 0.00 C ATOM 0 H TRP A 60 9.629 -3.056 5.049 1.00 0.00 H new ATOM 0 HA TRP A 60 9.031 -4.717 2.737 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.351 -6.330 3.812 1.00 0.00 H new ATOM 0 HB3 TRP A 60 11.108 -4.821 4.282 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.961 -7.672 5.738 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.073 -7.603 8.321 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.492 -3.263 6.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 10.115 -5.873 10.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 12.010 -2.460 8.528 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.333 -3.752 10.512 1.00 0.00 H new ATOM 913 N LEU A 61 7.254 -4.789 5.486 1.00 0.00 N ATOM 914 CA LEU A 61 6.015 -5.286 6.074 1.00 0.00 C ATOM 915 C LEU A 61 4.839 -5.080 5.125 1.00 0.00 C ATOM 916 O LEU A 61 4.955 -4.378 4.121 1.00 0.00 O ATOM 917 CB LEU A 61 5.741 -4.582 7.404 1.00 0.00 C ATOM 918 CG LEU A 61 6.758 -4.832 8.518 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.404 -4.021 9.755 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.829 -6.314 8.853 1.00 0.00 C ATOM 0 H LEU A 61 7.724 -4.070 6.037 1.00 0.00 H new ATOM 0 HA LEU A 61 6.130 -6.355 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.690 -3.509 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.758 -4.892 7.760 1.00 0.00 H new ATOM 0 HG LEU A 61 7.739 -4.512 8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.139 -4.211 10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.405 -2.960 9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.414 -4.310 10.108 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.558 -6.473 9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.850 -6.659 9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.130 -6.873 7.967 1.00 0.00 H new ATOM 932 N GLY A 62 3.707 -5.696 5.451 1.00 0.00 N ATOM 933 CA GLY A 62 2.526 -5.566 4.618 1.00 0.00 C ATOM 934 C GLY A 62 1.467 -4.681 5.247 1.00 0.00 C ATOM 935 O GLY A 62 1.604 -4.258 6.395 1.00 0.00 O ATOM 0 H GLY A 62 3.587 -6.283 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.811 -5.154 3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.106 -6.554 4.432 1.00 0.00 H new ATOM 939 N LEU A 63 0.409 -4.401 4.494 1.00 0.00 N ATOM 940 CA LEU A 63 -0.677 -3.559 4.984 1.00 0.00 C ATOM 941 C LEU A 63 -1.549 -4.320 5.978 1.00 0.00 C ATOM 942 O LEU A 63 -2.025 -3.754 6.961 1.00 0.00 O ATOM 943 CB LEU A 63 -1.530 -3.062 3.815 1.00 0.00 C ATOM 944 CG LEU A 63 -1.062 -1.772 3.143 1.00 0.00 C ATOM 945 CD1 LEU A 63 -0.088 -2.080 2.017 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.251 -0.980 2.620 1.00 0.00 C ATOM 0 H LEU A 63 0.280 -4.744 3.542 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.238 -2.702 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.569 -3.848 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.549 -2.913 4.173 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.546 -1.165 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.234 -1.149 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.779 -2.604 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.578 -2.708 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.898 -0.065 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.796 -1.580 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.912 -0.727 3.449 1.00 0.00 H new ATOM 958 N GLY A 64 -1.751 -5.607 5.716 1.00 0.00 N ATOM 959 CA GLY A 64 -2.564 -6.425 6.598 1.00 0.00 C ATOM 960 C GLY A 64 -1.825 -6.828 7.858 1.00 0.00 C ATOM 961 O GLY A 64 -2.444 -7.104 8.887 1.00 0.00 O ATOM 0 H GLY A 64 -1.367 -6.098 4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.466 -5.876 6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.884 -7.321 6.066 1.00 0.00 H new ATOM 965 N ILE A 65 -0.499 -6.864 7.780 1.00 0.00 N ATOM 966 CA ILE A 65 0.324 -7.237 8.923 1.00 0.00 C ATOM 967 C ILE A 65 0.041 -6.337 10.121 1.00 0.00 C ATOM 968 O ILE A 65 -0.141 -6.815 11.241 1.00 0.00 O ATOM 969 CB ILE A 65 1.825 -7.165 8.584 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.159 -8.128 7.444 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.661 -7.482 9.815 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.926 -9.581 7.792 1.00 0.00 C ATOM 0 H ILE A 65 0.028 -6.639 6.936 1.00 0.00 H new ATOM 0 HA ILE A 65 0.066 -8.266 9.175 1.00 0.00 H new ATOM 0 HB ILE A 65 2.061 -6.152 8.259 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.556 -7.870 6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.203 -7.994 7.160 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.719 -7.427 9.560 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.439 -6.760 10.601 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.424 -8.486 10.167 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.184 -10.206 6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.549 -9.856 8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.877 -9.730 8.047 1.00 0.00 H new ATOM 984 N TYR A 66 0.004 -5.031 9.878 1.00 0.00 N ATOM 985 CA TYR A 66 -0.257 -4.063 10.937 1.00 0.00 C ATOM 986 C TYR A 66 -1.739 -4.037 11.298 1.00 0.00 C ATOM 987 O TYR A 66 -2.104 -4.063 12.472 1.00 0.00 O ATOM 988 CB TYR A 66 0.200 -2.669 10.505 1.00 0.00 C ATOM 989 CG TYR A 66 1.674 -2.417 10.730 1.00 0.00 C ATOM 990 CD1 TYR A 66 2.187 -2.279 12.014 1.00 0.00 C ATOM 991 CD2 TYR A 66 2.553 -2.319 9.659 1.00 0.00 C ATOM 992 CE1 TYR A 66 3.533 -2.048 12.224 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.901 -2.090 9.860 1.00 0.00 C ATOM 994 CZ TYR A 66 4.385 -1.955 11.144 1.00 0.00 C ATOM 995 OH TYR A 66 5.727 -1.727 11.349 1.00 0.00 O ATOM 0 H TYR A 66 0.151 -4.619 8.957 1.00 0.00 H new ATOM 0 HA TYR A 66 0.307 -4.366 11.819 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.026 -2.534 9.447 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.375 -1.922 11.052 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.522 -2.354 12.862 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.177 -2.424 8.652 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.915 -1.941 13.228 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.571 -2.017 9.016 1.00 0.00 H new ATOM 0 HH TYR A 66 5.869 -0.782 11.567 1.00 0.00 H new ATOM 1005 N GLY A 67 -2.589 -3.985 10.277 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.022 -3.956 10.506 1.00 0.00 C ATOM 1007 C GLY A 67 -4.684 -2.743 9.883 1.00 0.00 C ATOM 1008 O GLY A 67 -5.721 -2.281 10.360 1.00 0.00 O ATOM 0 H GLY A 67 -2.311 -3.962 9.296 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.471 -4.861 10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.216 -3.961 11.579 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.084 -2.225 8.817 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.622 -1.058 8.129 1.00 0.00 C ATOM 1014 C ILE A 68 -5.919 -1.397 7.404 1.00 0.00 C ATOM 1015 O ILE A 68 -6.162 -2.552 7.055 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.613 -0.487 7.115 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.330 -0.054 7.827 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.227 0.682 6.358 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.123 -0.001 6.917 1.00 0.00 C ATOM 0 H ILE A 68 -3.225 -2.595 8.411 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.822 -0.306 8.892 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.361 -1.267 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.484 0.930 8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.128 -0.744 8.646 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.502 1.075 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.115 0.343 5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.505 1.466 7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.250 0.313 7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.943 -0.989 6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.305 0.711 6.112 1.00 0.00 H new ATOM 1031 N GLN A 69 -6.748 -0.382 7.179 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.020 -0.573 6.493 1.00 0.00 C ATOM 1033 C GLN A 69 -8.186 0.435 5.361 1.00 0.00 C ATOM 1034 O GLN A 69 -7.338 1.306 5.164 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.181 -0.444 7.481 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.303 0.941 8.097 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.660 1.180 8.729 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -11.395 0.237 9.025 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -11.000 2.446 8.941 1.00 0.00 N ATOM 0 H GLN A 69 -6.561 0.580 7.462 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.026 -1.576 6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.112 -0.689 6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.053 -1.177 8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.527 1.069 8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.127 1.693 7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.360 3.196 8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.901 2.668 9.365 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.281 0.311 4.620 1.00 0.00 N ATOM 1049 CA ASP A 70 -9.558 1.212 3.507 1.00 0.00 C ATOM 1050 C ASP A 70 -10.122 2.538 4.009 1.00 0.00 C ATOM 1051 O ASP A 70 -10.356 2.711 5.205 1.00 0.00 O ATOM 1052 CB ASP A 70 -10.539 0.563 2.530 1.00 0.00 C ATOM 1053 CG ASP A 70 -11.909 0.347 3.143 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.243 1.056 4.115 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -12.647 -0.532 2.650 1.00 0.00 O ATOM 0 H ASP A 70 -9.992 -0.405 4.770 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.619 1.410 2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.635 1.192 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.137 -0.395 2.199 1.00 0.00 H new ATOM 1060 N SER A 71 -10.337 3.470 3.087 1.00 0.00 N ATOM 1061 CA SER A 71 -10.869 4.782 3.437 1.00 0.00 C ATOM 1062 C SER A 71 -10.234 5.301 4.723 1.00 0.00 C ATOM 1063 O SER A 71 -10.827 6.107 5.440 1.00 0.00 O ATOM 1064 CB SER A 71 -12.389 4.714 3.597 1.00 0.00 C ATOM 1065 OG SER A 71 -12.745 4.220 4.876 1.00 0.00 O ATOM 0 H SER A 71 -10.151 3.342 2.092 1.00 0.00 H new ATOM 0 HA SER A 71 -10.626 5.472 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.818 5.706 3.455 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.811 4.071 2.825 1.00 0.00 H new ATOM 0 HG SER A 71 -12.039 3.626 5.206 1.00 0.00 H new ATOM 1071 N ASP A 72 -9.024 4.832 5.009 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.306 5.248 6.208 1.00 0.00 C ATOM 1073 C ASP A 72 -7.479 6.501 5.939 1.00 0.00 C ATOM 1074 O ASP A 72 -7.271 6.887 4.788 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.400 4.120 6.703 1.00 0.00 C ATOM 1076 CG ASP A 72 -7.170 4.177 8.201 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.643 5.201 8.681 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.517 3.196 8.892 1.00 0.00 O ATOM 0 H ASP A 72 -8.520 4.163 4.427 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.040 5.478 6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.845 3.160 6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.441 4.176 6.189 1.00 0.00 H new ATOM 1083 N THR A 73 -7.008 7.135 7.009 1.00 0.00 N ATOM 1084 CA THR A 73 -6.206 8.346 6.889 1.00 0.00 C ATOM 1085 C THR A 73 -4.784 8.114 7.387 1.00 0.00 C ATOM 1086 O THR A 73 -4.574 7.708 8.531 1.00 0.00 O ATOM 1087 CB THR A 73 -6.830 9.514 7.676 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.150 9.781 7.191 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.976 10.766 7.553 1.00 0.00 C ATOM 0 H THR A 73 -7.169 6.829 7.969 1.00 0.00 H new ATOM 0 HA THR A 73 -6.180 8.605 5.830 1.00 0.00 H new ATOM 0 HB THR A 73 -6.880 9.230 8.727 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.541 10.524 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.436 11.577 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.980 10.568 7.950 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.898 11.052 6.504 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.809 8.375 6.523 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.405 8.196 6.876 1.00 0.00 C ATOM 1099 C LEU A 74 -1.694 9.541 6.978 1.00 0.00 C ATOM 1100 O LEU A 74 -1.909 10.432 6.156 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.707 7.314 5.840 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.320 5.931 5.613 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.779 5.311 4.335 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.047 5.025 6.805 1.00 0.00 C ATOM 0 H LEU A 74 -3.965 8.711 5.573 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.360 7.707 7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.696 7.845 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.668 7.184 6.144 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.399 6.045 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.226 4.328 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.026 5.950 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.696 5.210 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.490 4.045 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.971 4.917 6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.484 5.463 7.702 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.844 9.680 7.990 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.098 10.915 8.197 1.00 0.00 C ATOM 1118 C ILE A 75 1.250 10.869 7.485 1.00 0.00 C ATOM 1119 O ILE A 75 1.887 9.818 7.405 1.00 0.00 O ATOM 1120 CB ILE A 75 0.134 11.189 9.694 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.198 11.194 10.447 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.861 12.512 9.885 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.211 12.160 9.875 1.00 0.00 C ATOM 0 H ILE A 75 -0.655 8.952 8.679 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.700 11.721 7.778 1.00 0.00 H new ATOM 0 HB ILE A 75 0.757 10.392 10.101 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.618 10.188 10.432 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.015 11.448 11.491 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.017 12.691 10.949 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.825 12.474 9.378 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.262 13.320 9.465 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.131 12.110 10.458 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.810 13.173 9.915 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.423 11.894 8.839 1.00 0.00 H new ATOM 1135 N LEU A 76 1.680 12.016 6.969 1.00 0.00 N ATOM 1136 CA LEU A 76 2.954 12.108 6.265 1.00 0.00 C ATOM 1137 C LEU A 76 3.908 13.053 6.987 1.00 0.00 C ATOM 1138 O LEU A 76 3.524 14.152 7.387 1.00 0.00 O ATOM 1139 CB LEU A 76 2.732 12.587 4.829 1.00 0.00 C ATOM 1140 CG LEU A 76 3.988 12.743 3.972 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.417 11.399 3.403 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.749 13.746 2.853 1.00 0.00 C ATOM 0 H LEU A 76 1.165 12.895 7.025 1.00 0.00 H new ATOM 0 HA LEU A 76 3.403 11.115 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.063 11.885 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.218 13.548 4.863 1.00 0.00 H new ATOM 0 HG LEU A 76 4.792 13.119 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.313 11.530 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.630 10.709 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.616 10.993 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.654 13.844 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.931 13.399 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.491 14.714 3.281 1.00 0.00 H new ATOM 1154 N SER A 77 5.154 12.619 7.148 1.00 0.00 N ATOM 1155 CA SER A 77 6.164 13.426 7.823 1.00 0.00 C ATOM 1156 C SER A 77 7.535 13.224 7.187 1.00 0.00 C ATOM 1157 O SER A 77 7.919 12.103 6.852 1.00 0.00 O ATOM 1158 CB SER A 77 6.221 13.070 9.310 1.00 0.00 C ATOM 1159 OG SER A 77 6.080 11.673 9.505 1.00 0.00 O ATOM 0 H SER A 77 5.488 11.713 6.820 1.00 0.00 H new ATOM 0 HA SER A 77 5.886 14.475 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.169 13.406 9.732 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.430 13.597 9.844 1.00 0.00 H new ATOM 0 HG SER A 77 6.439 11.196 8.728 1.00 0.00 H new ATOM 1165 N LYS A 78 8.271 14.319 7.022 1.00 0.00 N ATOM 1166 CA LYS A 78 9.601 14.265 6.427 1.00 0.00 C ATOM 1167 C LYS A 78 10.655 13.937 7.479 1.00 0.00 C ATOM 1168 O LYS A 78 10.516 14.303 8.647 1.00 0.00 O ATOM 1169 CB LYS A 78 9.935 15.598 5.753 1.00 0.00 C ATOM 1170 CG LYS A 78 8.818 16.131 4.873 1.00 0.00 C ATOM 1171 CD LYS A 78 8.931 17.634 4.677 1.00 0.00 C ATOM 1172 CE LYS A 78 10.192 18.003 3.912 1.00 0.00 C ATOM 1173 NZ LYS A 78 10.035 19.283 3.168 1.00 0.00 N ATOM 0 H LYS A 78 7.968 15.255 7.292 1.00 0.00 H new ATOM 0 HA LYS A 78 9.604 13.474 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.165 16.336 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.834 15.475 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.848 15.633 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.854 15.893 5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.057 17.998 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.935 18.129 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.027 18.087 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.439 17.204 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.916 19.499 2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.255 19.195 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.824 20.050 3.838 1.00 0.00 H new ATOM 1187 N LYS A 79 11.710 13.247 7.059 1.00 0.00 N ATOM 1188 CA LYS A 79 12.790 12.872 7.964 1.00 0.00 C ATOM 1189 C LYS A 79 13.772 14.025 8.146 1.00 0.00 C ATOM 1190 O LYS A 79 14.327 14.540 7.175 1.00 0.00 O ATOM 1191 CB LYS A 79 13.525 11.640 7.431 1.00 0.00 C ATOM 1192 CG LYS A 79 12.689 10.373 7.462 1.00 0.00 C ATOM 1193 CD LYS A 79 12.095 10.129 8.840 1.00 0.00 C ATOM 1194 CE LYS A 79 10.750 10.822 8.997 1.00 0.00 C ATOM 1195 NZ LYS A 79 10.521 11.279 10.396 1.00 0.00 N ATOM 0 H LYS A 79 11.840 12.936 6.096 1.00 0.00 H new ATOM 0 HA LYS A 79 12.352 12.635 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.842 11.831 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.429 11.483 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.887 10.447 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.306 9.522 7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.975 9.058 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.783 10.491 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.701 11.677 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.953 10.139 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.499 11.348 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.943 10.597 11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.961 12.211 10.533 1.00 0.00 H new