USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 504 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 139 SER OG : rot -57:sc= 0.662 USER MOD Set 1.2: A 142 SER OG : rot -71:sc= 1.19 USER MOD Set 1.3: A 151 THR OG1 : rot 151:sc= 2.28 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= -0.0119 (180deg=-0.212) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 150:sc= -0.0287 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.13 F(o=-2.1!,f=-0.13) USER MOD Single : A 110 LYS NZ :NH3+ -116:sc= 0.143 (180deg=-2.38!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 HIS :FLIP no HD1:sc= -4.19! C(o=-7.1!,f=-4.2!) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= -1.41 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -120:sc= 0.918 (180deg=-1.32) USER MOD Single : A 155 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-0.96) USER MOD Single : A 157 GLN :FLIP amide:sc= -0.442 F(o=-2.8!,f=-0.44) USER MOD Single : A 159 ASN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 18.191 15.313 -10.060 1.00 0.00 N ATOM 2 CA GLU A 92 17.158 14.588 -10.846 1.00 0.00 C ATOM 3 C GLU A 92 17.500 13.107 -10.973 1.00 0.00 C ATOM 4 O GLU A 92 16.623 12.248 -10.882 1.00 0.00 O ATOM 5 CB GLU A 92 17.055 15.230 -12.231 1.00 0.00 C ATOM 6 CG GLU A 92 18.364 15.233 -13.002 1.00 0.00 C ATOM 7 CD GLU A 92 18.221 15.820 -14.392 1.00 0.00 C ATOM 8 OE1 GLU A 92 17.440 15.264 -15.194 1.00 0.00 O ATOM 9 OE2 GLU A 92 18.888 16.836 -14.680 1.00 0.00 O ATOM 0 HA GLU A 92 16.201 14.660 -10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 92 16.302 14.698 -12.813 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.706 16.257 -12.121 1.00 0.00 H new ATOM 0 HG2 GLU A 92 19.108 15.803 -12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 92 18.738 14.212 -13.080 1.00 0.00 H new ATOM 18 N ALA A 93 18.781 12.817 -11.188 1.00 0.00 N ATOM 19 CA ALA A 93 19.242 11.441 -11.331 1.00 0.00 C ATOM 20 C ALA A 93 19.084 10.666 -10.022 1.00 0.00 C ATOM 21 O ALA A 93 18.051 10.762 -9.358 1.00 0.00 O ATOM 22 CB ALA A 93 20.691 11.422 -11.799 1.00 0.00 C ATOM 0 H ALA A 93 19.518 13.518 -11.267 1.00 0.00 H new ATOM 0 HA ALA A 93 18.624 10.948 -12.082 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.026 10.390 -11.903 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.769 11.928 -12.762 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.316 11.935 -11.068 1.00 0.00 H new ATOM 28 N GLU A 94 20.109 9.897 -9.656 1.00 0.00 N ATOM 29 CA GLU A 94 20.074 9.108 -8.429 1.00 0.00 C ATOM 30 C GLU A 94 18.886 8.151 -8.436 1.00 0.00 C ATOM 31 O GLU A 94 18.199 7.987 -7.428 1.00 0.00 O ATOM 32 CB GLU A 94 20.001 10.027 -7.206 1.00 0.00 C ATOM 33 CG GLU A 94 21.163 11.004 -7.101 1.00 0.00 C ATOM 34 CD GLU A 94 22.497 10.312 -6.901 1.00 0.00 C ATOM 35 OE1 GLU A 94 22.905 9.532 -7.788 1.00 0.00 O ATOM 36 OE2 GLU A 94 23.139 10.554 -5.857 1.00 0.00 O ATOM 0 H GLU A 94 20.972 9.805 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 94 20.991 8.521 -8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.068 10.589 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.971 9.415 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 94 21.205 11.610 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 94 20.984 11.686 -6.269 1.00 0.00 H new ATOM 43 N PHE A 95 18.650 7.523 -9.584 1.00 0.00 N ATOM 44 CA PHE A 95 17.545 6.582 -9.733 1.00 0.00 C ATOM 45 C PHE A 95 17.720 5.384 -8.807 1.00 0.00 C ATOM 46 O PHE A 95 16.758 4.918 -8.195 1.00 0.00 O ATOM 47 CB PHE A 95 17.446 6.108 -11.186 1.00 0.00 C ATOM 48 CG PHE A 95 16.278 5.198 -11.449 1.00 0.00 C ATOM 49 CD1 PHE A 95 15.001 5.550 -11.041 1.00 0.00 C ATOM 50 CD2 PHE A 95 16.459 3.990 -12.104 1.00 0.00 C ATOM 51 CE1 PHE A 95 13.927 4.716 -11.283 1.00 0.00 C ATOM 52 CE2 PHE A 95 15.389 3.152 -12.348 1.00 0.00 C ATOM 53 CZ PHE A 95 14.121 3.515 -11.937 1.00 0.00 C ATOM 0 H PHE A 95 19.211 7.649 -10.427 1.00 0.00 H new ATOM 0 HA PHE A 95 16.623 7.096 -9.460 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.371 6.978 -11.838 1.00 0.00 H new ATOM 0 HB3 PHE A 95 18.367 5.589 -11.453 1.00 0.00 H new ATOM 0 HD1 PHE A 95 14.844 6.487 -10.528 1.00 0.00 H new ATOM 0 HD2 PHE A 95 17.448 3.701 -12.427 1.00 0.00 H new ATOM 0 HE1 PHE A 95 12.937 5.003 -10.961 1.00 0.00 H new ATOM 0 HE2 PHE A 95 15.543 2.214 -12.860 1.00 0.00 H new ATOM 0 HZ PHE A 95 13.283 2.861 -12.127 1.00 0.00 H new ATOM 63 N VAL A 96 18.957 4.892 -8.720 1.00 0.00 N ATOM 64 CA VAL A 96 19.293 3.741 -7.880 1.00 0.00 C ATOM 65 C VAL A 96 18.246 2.636 -7.987 1.00 0.00 C ATOM 66 O VAL A 96 17.531 2.535 -8.984 1.00 0.00 O ATOM 67 CB VAL A 96 19.483 4.140 -6.398 1.00 0.00 C ATOM 68 CG1 VAL A 96 20.565 5.202 -6.271 1.00 0.00 C ATOM 69 CG2 VAL A 96 18.182 4.626 -5.780 1.00 0.00 C ATOM 0 H VAL A 96 19.752 5.279 -9.228 1.00 0.00 H new ATOM 0 HA VAL A 96 20.242 3.358 -8.256 1.00 0.00 H new ATOM 0 HB VAL A 96 19.796 3.251 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.688 5.473 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 96 21.506 4.811 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.277 6.085 -6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 96 18.353 4.898 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.822 5.497 -6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 96 17.437 3.832 -5.830 1.00 0.00 H new ATOM 79 N ARG A 97 18.171 1.805 -6.955 1.00 0.00 N ATOM 80 CA ARG A 97 17.220 0.697 -6.929 1.00 0.00 C ATOM 81 C ARG A 97 16.000 1.030 -6.070 1.00 0.00 C ATOM 82 O ARG A 97 15.569 0.220 -5.248 1.00 0.00 O ATOM 83 CB ARG A 97 17.894 -0.586 -6.419 1.00 0.00 C ATOM 84 CG ARG A 97 18.369 -0.522 -4.971 1.00 0.00 C ATOM 85 CD ARG A 97 19.559 0.409 -4.797 1.00 0.00 C ATOM 86 NE ARG A 97 20.711 -0.018 -5.588 1.00 0.00 N ATOM 87 CZ ARG A 97 21.373 -1.153 -5.379 1.00 0.00 C ATOM 88 NH1 ARG A 97 21.012 -1.965 -4.394 1.00 0.00 N ATOM 89 NH2 ARG A 97 22.400 -1.475 -6.153 1.00 0.00 N ATOM 0 H ARG A 97 18.757 1.876 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 97 16.879 0.532 -7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.193 -1.414 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 97 18.748 -0.811 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 97 17.550 -0.184 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 97 18.641 -1.523 -4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 97 19.274 1.420 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 97 19.837 0.448 -3.744 1.00 0.00 H new ATOM 0 HE ARG A 97 21.026 0.589 -6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.224 -1.720 -3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.522 -2.834 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.683 -0.852 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 97 22.907 -2.345 -5.992 1.00 0.00 H new ATOM 103 N ILE A 98 15.441 2.221 -6.269 1.00 0.00 N ATOM 104 CA ILE A 98 14.269 2.646 -5.512 1.00 0.00 C ATOM 105 C ILE A 98 13.123 1.651 -5.668 1.00 0.00 C ATOM 106 O ILE A 98 12.882 1.130 -6.756 1.00 0.00 O ATOM 107 CB ILE A 98 13.783 4.045 -5.941 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.510 4.078 -7.448 1.00 0.00 C ATOM 109 CG2 ILE A 98 14.805 5.103 -5.551 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.961 5.402 -7.936 1.00 0.00 C ATOM 0 H ILE A 98 15.780 2.906 -6.945 1.00 0.00 H new ATOM 0 HA ILE A 98 14.574 2.688 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 98 12.850 4.265 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 98 14.435 3.859 -7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.803 3.287 -7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.448 6.085 -5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.946 5.092 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.754 4.891 -6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.792 5.352 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.019 5.614 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 98 13.676 6.195 -7.718 1.00 0.00 H new ATOM 122 N CYS A 99 12.427 1.391 -4.568 1.00 0.00 N ATOM 123 CA CYS A 99 11.307 0.456 -4.566 1.00 0.00 C ATOM 124 C CYS A 99 10.247 0.875 -5.581 1.00 0.00 C ATOM 125 O CYS A 99 9.922 2.057 -5.698 1.00 0.00 O ATOM 126 CB CYS A 99 10.696 0.380 -3.168 1.00 0.00 C ATOM 127 SG CYS A 99 11.911 0.050 -1.850 1.00 0.00 S ATOM 0 H CYS A 99 12.619 1.817 -3.661 1.00 0.00 H new ATOM 0 HA CYS A 99 11.679 -0.529 -4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.187 1.319 -2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.938 -0.403 -3.155 1.00 0.00 H new ATOM 132 N SER A 100 9.717 -0.101 -6.315 1.00 0.00 N ATOM 133 CA SER A 100 8.696 0.163 -7.324 1.00 0.00 C ATOM 134 C SER A 100 7.591 1.055 -6.765 1.00 0.00 C ATOM 135 O SER A 100 6.978 0.737 -5.748 1.00 0.00 O ATOM 136 CB SER A 100 8.098 -1.150 -7.832 1.00 0.00 C ATOM 137 OG SER A 100 7.107 -0.914 -8.818 1.00 0.00 O ATOM 0 H SER A 100 9.979 -1.083 -6.229 1.00 0.00 H new ATOM 0 HA SER A 100 9.172 0.684 -8.155 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.888 -1.775 -8.249 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.662 -1.701 -6.999 1.00 0.00 H new ATOM 0 HG SER A 100 6.742 -1.770 -9.127 1.00 0.00 H new ATOM 143 N LYS A 101 7.349 2.174 -7.438 1.00 0.00 N ATOM 144 CA LYS A 101 6.324 3.119 -7.008 1.00 0.00 C ATOM 145 C LYS A 101 4.935 2.688 -7.480 1.00 0.00 C ATOM 146 O LYS A 101 4.019 3.507 -7.566 1.00 0.00 O ATOM 147 CB LYS A 101 6.651 4.514 -7.538 1.00 0.00 C ATOM 148 CG LYS A 101 6.834 4.565 -9.046 1.00 0.00 C ATOM 149 CD LYS A 101 7.239 5.953 -9.517 1.00 0.00 C ATOM 150 CE LYS A 101 6.183 6.993 -9.176 1.00 0.00 C ATOM 151 NZ LYS A 101 4.864 6.662 -9.780 1.00 0.00 N ATOM 0 H LYS A 101 7.848 2.449 -8.284 1.00 0.00 H new ATOM 0 HA LYS A 101 6.315 3.138 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.851 5.198 -7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.562 4.872 -7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.594 3.843 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.905 4.271 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.187 6.232 -9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.401 5.939 -10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.079 7.064 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.509 7.971 -9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.230 7.482 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.993 6.420 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.446 5.852 -9.279 1.00 0.00 H new ATOM 165 N SER A 102 4.784 1.401 -7.776 1.00 0.00 N ATOM 166 CA SER A 102 3.505 0.865 -8.229 1.00 0.00 C ATOM 167 C SER A 102 2.474 0.882 -7.104 1.00 0.00 C ATOM 168 O SER A 102 1.324 1.271 -7.306 1.00 0.00 O ATOM 169 CB SER A 102 3.682 -0.562 -8.751 1.00 0.00 C ATOM 170 OG SER A 102 2.448 -1.103 -9.191 1.00 0.00 O ATOM 0 H SER A 102 5.531 0.710 -7.710 1.00 0.00 H new ATOM 0 HA SER A 102 3.142 1.499 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.397 -0.565 -9.573 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.098 -1.191 -7.964 1.00 0.00 H new ATOM 0 HG SER A 102 2.590 -2.015 -9.521 1.00 0.00 H new ATOM 176 N TYR A 103 2.898 0.447 -5.923 1.00 0.00 N ATOM 177 CA TYR A 103 2.021 0.397 -4.757 1.00 0.00 C ATOM 178 C TYR A 103 1.492 1.784 -4.401 1.00 0.00 C ATOM 179 O TYR A 103 0.383 1.920 -3.884 1.00 0.00 O ATOM 180 CB TYR A 103 2.765 -0.203 -3.558 1.00 0.00 C ATOM 181 CG TYR A 103 3.140 -1.663 -3.725 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.712 -2.131 -4.905 1.00 0.00 C ATOM 183 CD2 TYR A 103 2.924 -2.574 -2.698 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.054 -3.461 -5.055 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.265 -3.906 -2.841 1.00 0.00 C ATOM 186 CZ TYR A 103 3.829 -4.344 -4.020 1.00 0.00 C ATOM 187 OH TYR A 103 4.169 -5.669 -4.165 1.00 0.00 O ATOM 0 H TYR A 103 3.849 0.122 -5.746 1.00 0.00 H new ATOM 0 HA TYR A 103 1.170 -0.237 -5.006 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.672 0.375 -3.381 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.142 -0.099 -2.669 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.891 -1.442 -5.717 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.482 -2.236 -1.772 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.495 -3.807 -5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.090 -4.600 -2.033 1.00 0.00 H new ATOM 0 HH TYR A 103 4.408 -6.043 -3.291 1.00 0.00 H new ATOM 197 N LEU A 104 2.295 2.809 -4.673 1.00 0.00 N ATOM 198 CA LEU A 104 1.912 4.187 -4.373 1.00 0.00 C ATOM 199 C LEU A 104 0.544 4.524 -4.959 1.00 0.00 C ATOM 200 O LEU A 104 -0.266 5.191 -4.316 1.00 0.00 O ATOM 201 CB LEU A 104 2.964 5.160 -4.907 1.00 0.00 C ATOM 202 CG LEU A 104 4.373 4.968 -4.340 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.310 6.041 -4.872 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.349 4.985 -2.819 1.00 0.00 C ATOM 0 H LEU A 104 3.216 2.712 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 104 1.850 4.286 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.009 5.063 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.638 6.178 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 104 4.743 3.995 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.308 5.890 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.354 5.979 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.941 7.024 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.361 4.847 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.958 5.941 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.711 4.179 -2.456 1.00 0.00 H new ATOM 216 N THR A 105 0.288 4.062 -6.178 1.00 0.00 N ATOM 217 CA THR A 105 -0.989 4.320 -6.831 1.00 0.00 C ATOM 218 C THR A 105 -1.975 3.189 -6.559 1.00 0.00 C ATOM 219 O THR A 105 -1.657 2.014 -6.745 1.00 0.00 O ATOM 220 CB THR A 105 -0.824 4.500 -8.353 1.00 0.00 C ATOM 221 OG1 THR A 105 -2.105 4.664 -8.971 1.00 0.00 O ATOM 222 CG2 THR A 105 -0.105 3.310 -8.971 1.00 0.00 C ATOM 0 H THR A 105 0.944 3.510 -6.731 1.00 0.00 H new ATOM 0 HA THR A 105 -1.379 5.248 -6.413 1.00 0.00 H new ATOM 0 HB THR A 105 -0.222 5.392 -8.523 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.990 4.779 -9.937 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.003 3.464 -10.045 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.884 3.210 -8.523 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.680 2.402 -8.788 1.00 0.00 H new ATOM 230 N LEU A 106 -3.172 3.553 -6.109 1.00 0.00 N ATOM 231 CA LEU A 106 -4.204 2.570 -5.803 1.00 0.00 C ATOM 232 C LEU A 106 -5.591 3.104 -6.131 1.00 0.00 C ATOM 233 O LEU A 106 -5.997 4.153 -5.631 1.00 0.00 O ATOM 234 CB LEU A 106 -4.136 2.177 -4.323 1.00 0.00 C ATOM 235 CG LEU A 106 -5.257 1.252 -3.835 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.410 0.046 -4.750 1.00 0.00 C ATOM 237 CD2 LEU A 106 -4.990 0.807 -2.407 1.00 0.00 C ATOM 0 H LEU A 106 -3.450 4.521 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.022 1.691 -6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.179 1.689 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.151 3.086 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.192 1.811 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.212 -0.592 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.651 0.383 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.477 -0.517 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.794 0.151 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.042 0.270 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.942 1.680 -1.757 1.00 0.00 H new ATOM 249 N GLU A 107 -6.325 2.365 -6.956 1.00 0.00 N ATOM 250 CA GLU A 107 -7.676 2.760 -7.326 1.00 0.00 C ATOM 251 C GLU A 107 -8.595 2.644 -6.117 1.00 0.00 C ATOM 252 O GLU A 107 -8.608 1.616 -5.437 1.00 0.00 O ATOM 253 CB GLU A 107 -8.196 1.887 -8.469 1.00 0.00 C ATOM 254 CG GLU A 107 -9.609 2.235 -8.908 1.00 0.00 C ATOM 255 CD GLU A 107 -10.109 1.344 -10.029 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.349 0.454 -10.465 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.260 1.537 -10.471 1.00 0.00 O ATOM 0 H GLU A 107 -6.007 1.493 -7.379 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.659 3.796 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.525 1.984 -9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.168 0.843 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.282 2.150 -8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.638 3.274 -9.235 1.00 0.00 H new ATOM 264 N ASN A 108 -9.351 3.702 -5.843 1.00 0.00 N ATOM 265 CA ASN A 108 -10.258 3.709 -4.702 1.00 0.00 C ATOM 266 C ASN A 108 -9.486 3.485 -3.407 1.00 0.00 C ATOM 267 O ASN A 108 -9.963 2.811 -2.493 1.00 0.00 O ATOM 268 CB ASN A 108 -11.330 2.628 -4.867 1.00 0.00 C ATOM 269 CG ASN A 108 -12.222 2.859 -6.075 1.00 0.00 C ATOM 270 OD1 ASN A 108 -11.963 3.932 -6.817 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -13.135 2.079 -6.341 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.354 4.561 -6.393 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.745 4.683 -4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.847 1.655 -4.959 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.946 2.594 -3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.301 1.267 -5.747 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.726 2.244 -7.156 1.00 0.00 H new ATOM 278 N GLY A 109 -8.287 4.054 -3.337 1.00 0.00 N ATOM 279 CA GLY A 109 -7.462 3.903 -2.154 1.00 0.00 C ATOM 280 C GLY A 109 -6.338 4.911 -2.092 1.00 0.00 C ATOM 281 O GLY A 109 -5.796 5.325 -3.117 1.00 0.00 O ATOM 0 H GLY A 109 -7.872 4.617 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.086 4.006 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.043 2.897 -2.135 1.00 0.00 H new ATOM 285 N LYS A 110 -5.991 5.299 -0.876 1.00 0.00 N ATOM 286 CA LYS A 110 -4.925 6.265 -0.643 1.00 0.00 C ATOM 287 C LYS A 110 -3.743 5.599 0.051 1.00 0.00 C ATOM 288 O LYS A 110 -3.922 4.768 0.942 1.00 0.00 O ATOM 289 CB LYS A 110 -5.441 7.438 0.193 1.00 0.00 C ATOM 290 CG LYS A 110 -6.078 7.018 1.509 1.00 0.00 C ATOM 291 CD LYS A 110 -6.610 8.218 2.274 1.00 0.00 C ATOM 292 CE LYS A 110 -7.330 7.796 3.545 1.00 0.00 C ATOM 293 NZ LYS A 110 -6.431 7.059 4.476 1.00 0.00 N ATOM 0 H LYS A 110 -6.437 4.956 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.589 6.647 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.614 8.117 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.172 7.996 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.891 6.319 1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.344 6.492 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.785 8.884 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.293 8.782 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.727 8.678 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.181 7.166 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.774 6.084 4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.466 7.044 4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.424 7.534 5.401 1.00 0.00 H new ATOM 307 N VAL A 111 -2.536 5.960 -0.369 1.00 0.00 N ATOM 308 CA VAL A 111 -1.327 5.384 0.206 1.00 0.00 C ATOM 309 C VAL A 111 -0.552 6.419 1.019 1.00 0.00 C ATOM 310 O VAL A 111 -0.360 7.552 0.579 1.00 0.00 O ATOM 311 CB VAL A 111 -0.413 4.809 -0.894 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.809 4.146 -0.285 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.182 3.824 -1.761 1.00 0.00 C ATOM 0 H VAL A 111 -2.369 6.647 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.639 4.578 0.870 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.074 5.631 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.440 3.747 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.372 4.880 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.494 3.334 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.523 3.427 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.551 3.006 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.024 4.333 -2.230 1.00 0.00 H new ATOM 323 N PHE A 112 -0.110 6.015 2.208 1.00 0.00 N ATOM 324 CA PHE A 112 0.646 6.901 3.090 1.00 0.00 C ATOM 325 C PHE A 112 2.110 6.482 3.156 1.00 0.00 C ATOM 326 O PHE A 112 2.421 5.315 3.388 1.00 0.00 O ATOM 327 CB PHE A 112 0.044 6.895 4.498 1.00 0.00 C ATOM 328 CG PHE A 112 -1.262 7.632 4.614 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.303 7.381 3.733 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.447 8.577 5.610 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.501 8.059 3.844 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.644 9.258 5.726 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.672 8.999 4.841 1.00 0.00 C ATOM 0 H PHE A 112 -0.263 5.079 2.583 1.00 0.00 H new ATOM 0 HA PHE A 112 0.589 7.910 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.106 5.862 4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.761 7.338 5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.175 6.647 2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.646 8.784 6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.304 7.854 3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.775 9.992 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.608 9.531 4.928 1.00 0.00 H new ATOM 343 N LEU A 113 3.006 7.443 2.960 1.00 0.00 N ATOM 344 CA LEU A 113 4.436 7.177 3.004 1.00 0.00 C ATOM 345 C LEU A 113 5.038 7.694 4.300 1.00 0.00 C ATOM 346 O LEU A 113 4.670 8.765 4.784 1.00 0.00 O ATOM 347 CB LEU A 113 5.143 7.819 1.805 1.00 0.00 C ATOM 348 CG LEU A 113 4.882 7.153 0.449 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.300 5.690 0.485 1.00 0.00 C ATOM 350 CD2 LEU A 113 3.420 7.285 0.049 1.00 0.00 C ATOM 0 H LEU A 113 2.765 8.415 2.769 1.00 0.00 H new ATOM 0 HA LEU A 113 4.580 6.097 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.837 8.863 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.217 7.812 1.993 1.00 0.00 H new ATOM 0 HG LEU A 113 5.483 7.665 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.108 5.233 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.363 5.621 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.729 5.167 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.262 6.804 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.793 6.805 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.157 8.340 -0.024 1.00 0.00 H new ATOM 362 N THR A 114 5.969 6.931 4.856 1.00 0.00 N ATOM 363 CA THR A 114 6.622 7.321 6.095 1.00 0.00 C ATOM 364 C THR A 114 8.000 6.677 6.214 1.00 0.00 C ATOM 365 O THR A 114 8.184 5.504 5.880 1.00 0.00 O ATOM 366 CB THR A 114 5.774 6.949 7.328 1.00 0.00 C ATOM 367 OG1 THR A 114 6.452 7.344 8.526 1.00 0.00 O ATOM 368 CG2 THR A 114 5.493 5.455 7.370 1.00 0.00 C ATOM 0 H THR A 114 6.287 6.042 4.470 1.00 0.00 H new ATOM 0 HA THR A 114 6.734 8.405 6.065 1.00 0.00 H new ATOM 0 HB THR A 114 4.823 7.477 7.255 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.906 7.106 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.893 5.222 8.250 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.949 5.162 6.472 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.435 4.909 7.418 1.00 0.00 H new ATOM 376 N GLY A 115 8.967 7.458 6.685 1.00 0.00 N ATOM 377 CA GLY A 115 10.322 6.960 6.834 1.00 0.00 C ATOM 378 C GLY A 115 11.090 6.979 5.525 1.00 0.00 C ATOM 379 O GLY A 115 10.619 6.460 4.513 1.00 0.00 O ATOM 0 H GLY A 115 8.836 8.429 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.850 7.565 7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.292 5.941 7.220 1.00 0.00 H new ATOM 383 N GLY A 116 12.274 7.583 5.549 1.00 0.00 N ATOM 384 CA GLY A 116 13.098 7.665 4.356 1.00 0.00 C ATOM 385 C GLY A 116 14.208 8.689 4.496 1.00 0.00 C ATOM 386 O GLY A 116 14.820 8.806 5.558 1.00 0.00 O ATOM 0 H GLY A 116 12.679 8.019 6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.532 6.687 4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.473 7.924 3.502 1.00 0.00 H new ATOM 390 N ASP A 117 14.463 9.441 3.425 1.00 0.00 N ATOM 391 CA ASP A 117 15.503 10.466 3.437 1.00 0.00 C ATOM 392 C ASP A 117 15.547 11.215 2.111 1.00 0.00 C ATOM 393 O ASP A 117 15.314 12.423 2.052 1.00 0.00 O ATOM 394 CB ASP A 117 16.868 9.834 3.716 1.00 0.00 C ATOM 395 CG ASP A 117 17.968 10.865 3.886 1.00 0.00 C ATOM 396 OD1 ASP A 117 17.667 12.076 3.809 1.00 0.00 O ATOM 397 OD2 ASP A 117 19.131 10.462 4.100 1.00 0.00 O ATOM 0 H ASP A 117 13.963 9.359 2.540 1.00 0.00 H new ATOM 0 HA ASP A 117 15.265 11.176 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 117 16.804 9.225 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 117 17.128 9.164 2.897 1.00 0.00 H new ATOM 402 N LEU A 118 15.845 10.480 1.052 1.00 0.00 N ATOM 403 CA LEU A 118 15.925 11.048 -0.291 1.00 0.00 C ATOM 404 C LEU A 118 14.536 11.357 -0.866 1.00 0.00 C ATOM 405 O LEU A 118 14.341 12.407 -1.478 1.00 0.00 O ATOM 406 CB LEU A 118 16.701 10.101 -1.220 1.00 0.00 C ATOM 407 CG LEU A 118 16.969 10.619 -2.642 1.00 0.00 C ATOM 408 CD1 LEU A 118 15.714 10.542 -3.500 1.00 0.00 C ATOM 409 CD2 LEU A 118 17.517 12.038 -2.606 1.00 0.00 C ATOM 0 H LEU A 118 16.038 9.479 1.094 1.00 0.00 H new ATOM 0 HA LEU A 118 16.461 11.995 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 118 17.658 9.870 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 118 16.149 9.164 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 118 17.723 9.976 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.934 10.915 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 118 15.380 9.506 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.928 11.149 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 118 17.699 12.384 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 118 16.794 12.695 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 118 18.451 12.053 -2.045 1.00 0.00 H new ATOM 421 N PRO A 119 13.548 10.453 -0.690 1.00 0.00 N ATOM 422 CA PRO A 119 13.713 9.195 0.021 1.00 0.00 C ATOM 423 C PRO A 119 14.141 8.050 -0.889 1.00 0.00 C ATOM 424 O PRO A 119 13.498 7.763 -1.898 1.00 0.00 O ATOM 425 CB PRO A 119 12.318 8.949 0.585 1.00 0.00 C ATOM 426 CG PRO A 119 11.385 9.574 -0.403 1.00 0.00 C ATOM 427 CD PRO A 119 12.173 10.604 -1.183 1.00 0.00 C ATOM 0 HA PRO A 119 14.499 9.245 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.119 7.883 0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 119 12.206 9.398 1.572 1.00 0.00 H new ATOM 0 HG2 PRO A 119 10.973 8.819 -1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.543 10.041 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 119 12.112 10.423 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 119 11.795 11.611 -1.008 1.00 0.00 H new ATOM 435 N ALA A 120 15.231 7.397 -0.509 1.00 0.00 N ATOM 436 CA ALA A 120 15.764 6.271 -1.267 1.00 0.00 C ATOM 437 C ALA A 120 14.905 5.029 -1.066 1.00 0.00 C ATOM 438 O ALA A 120 14.898 4.122 -1.897 1.00 0.00 O ATOM 439 CB ALA A 120 17.203 5.996 -0.858 1.00 0.00 C ATOM 0 H ALA A 120 15.768 7.630 0.327 1.00 0.00 H new ATOM 0 HA ALA A 120 15.745 6.529 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 120 17.589 5.153 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.812 6.878 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 120 17.240 5.759 0.205 1.00 0.00 H new ATOM 445 N LEU A 121 14.188 5.007 0.054 1.00 0.00 N ATOM 446 CA LEU A 121 13.311 3.891 0.403 1.00 0.00 C ATOM 447 C LEU A 121 14.116 2.645 0.766 1.00 0.00 C ATOM 448 O LEU A 121 13.652 1.520 0.577 1.00 0.00 O ATOM 449 CB LEU A 121 12.355 3.576 -0.752 1.00 0.00 C ATOM 450 CG LEU A 121 11.432 4.725 -1.165 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.610 4.334 -2.383 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.520 5.121 -0.013 1.00 0.00 C ATOM 0 H LEU A 121 14.197 5.759 0.743 1.00 0.00 H new ATOM 0 HA LEU A 121 12.730 4.189 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.944 3.275 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.741 2.721 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 121 12.049 5.585 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 121 9.959 5.162 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.277 4.100 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.004 3.460 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.872 5.939 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.910 4.266 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 121 11.124 5.442 0.836 1.00 0.00 H new ATOM 464 N ASP A 122 15.319 2.851 1.299 1.00 0.00 N ATOM 465 CA ASP A 122 16.179 1.741 1.704 1.00 0.00 C ATOM 466 C ASP A 122 15.697 1.122 3.014 1.00 0.00 C ATOM 467 O ASP A 122 16.499 0.697 3.847 1.00 0.00 O ATOM 468 CB ASP A 122 17.629 2.210 1.840 1.00 0.00 C ATOM 469 CG ASP A 122 17.780 3.360 2.817 1.00 0.00 C ATOM 470 OD1 ASP A 122 17.448 3.179 4.007 1.00 0.00 O ATOM 471 OD2 ASP A 122 18.230 4.445 2.390 1.00 0.00 O ATOM 0 H ASP A 122 15.720 3.775 1.460 1.00 0.00 H new ATOM 0 HA ASP A 122 16.129 0.976 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 122 18.248 1.375 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 122 18.001 2.517 0.863 1.00 0.00 H new ATOM 476 N GLY A 123 14.384 1.078 3.188 1.00 0.00 N ATOM 477 CA GLY A 123 13.802 0.516 4.394 1.00 0.00 C ATOM 478 C GLY A 123 12.609 1.320 4.869 1.00 0.00 C ATOM 479 O GLY A 123 12.319 1.374 6.065 1.00 0.00 O ATOM 0 H GLY A 123 13.705 1.424 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.495 -0.513 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.556 0.484 5.181 1.00 0.00 H new ATOM 483 N ALA A 124 11.921 1.950 3.924 1.00 0.00 N ATOM 484 CA ALA A 124 10.753 2.765 4.229 1.00 0.00 C ATOM 485 C ALA A 124 9.516 1.905 4.459 1.00 0.00 C ATOM 486 O ALA A 124 9.347 0.857 3.831 1.00 0.00 O ATOM 487 CB ALA A 124 10.498 3.758 3.106 1.00 0.00 C ATOM 0 H ALA A 124 12.155 1.911 2.932 1.00 0.00 H new ATOM 0 HA ALA A 124 10.958 3.309 5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.622 4.361 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.366 4.407 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.323 3.218 2.176 1.00 0.00 H new ATOM 493 N ARG A 125 8.643 2.365 5.351 1.00 0.00 N ATOM 494 CA ARG A 125 7.410 1.651 5.654 1.00 0.00 C ATOM 495 C ARG A 125 6.222 2.410 5.074 1.00 0.00 C ATOM 496 O ARG A 125 6.178 3.638 5.130 1.00 0.00 O ATOM 497 CB ARG A 125 7.246 1.480 7.167 1.00 0.00 C ATOM 498 CG ARG A 125 8.386 0.710 7.815 1.00 0.00 C ATOM 499 CD ARG A 125 8.176 0.550 9.313 1.00 0.00 C ATOM 500 NE ARG A 125 9.287 -0.153 9.949 1.00 0.00 N ATOM 501 CZ ARG A 125 9.346 -0.416 11.252 1.00 0.00 C ATOM 502 NH1 ARG A 125 8.358 -0.042 12.053 1.00 0.00 N ATOM 503 NH2 ARG A 125 10.395 -1.054 11.754 1.00 0.00 N ATOM 0 H ARG A 125 8.768 3.230 5.876 1.00 0.00 H new ATOM 0 HA ARG A 125 7.455 0.660 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.172 2.464 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.308 0.962 7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.471 -0.273 7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 125 9.326 1.230 7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 125 8.060 1.533 9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.250 0.003 9.493 1.00 0.00 H new ATOM 0 HE ARG A 125 10.062 -0.460 9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.550 0.449 11.671 1.00 0.00 H new ATOM 0 HH12 ARG A 125 8.406 -0.245 13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 125 11.157 -1.343 11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 125 10.439 -1.255 12.753 1.00 0.00 H new ATOM 517 N VAL A 126 5.271 1.683 4.497 1.00 0.00 N ATOM 518 CA VAL A 126 4.108 2.316 3.891 1.00 0.00 C ATOM 519 C VAL A 126 2.800 1.725 4.410 1.00 0.00 C ATOM 520 O VAL A 126 2.660 0.506 4.545 1.00 0.00 O ATOM 521 CB VAL A 126 4.147 2.192 2.356 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.022 0.739 1.932 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.050 3.028 1.724 1.00 0.00 C ATOM 0 H VAL A 126 5.283 0.665 4.437 1.00 0.00 H new ATOM 0 HA VAL A 126 4.147 3.369 4.171 1.00 0.00 H new ATOM 0 HB VAL A 126 5.109 2.569 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.052 0.674 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.847 0.165 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.077 0.334 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.095 2.927 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.079 2.684 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.187 4.074 1.997 1.00 0.00 H new ATOM 533 N GLU A 127 1.845 2.606 4.698 1.00 0.00 N ATOM 534 CA GLU A 127 0.540 2.195 5.202 1.00 0.00 C ATOM 535 C GLU A 127 -0.528 2.306 4.116 1.00 0.00 C ATOM 536 O GLU A 127 -0.680 3.353 3.488 1.00 0.00 O ATOM 537 CB GLU A 127 0.146 3.059 6.401 1.00 0.00 C ATOM 538 CG GLU A 127 1.064 2.896 7.602 1.00 0.00 C ATOM 539 CD GLU A 127 1.001 1.507 8.211 1.00 0.00 C ATOM 540 OE1 GLU A 127 0.220 0.671 7.710 1.00 0.00 O ATOM 541 OE2 GLU A 127 1.730 1.258 9.193 1.00 0.00 O ATOM 0 H GLU A 127 1.953 3.614 4.590 1.00 0.00 H new ATOM 0 HA GLU A 127 0.610 1.152 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.143 4.106 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.873 2.810 6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.090 3.108 7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.796 3.632 8.360 1.00 0.00 H new ATOM 548 N PHE A 128 -1.270 1.223 3.908 1.00 0.00 N ATOM 549 CA PHE A 128 -2.333 1.205 2.907 1.00 0.00 C ATOM 550 C PHE A 128 -3.694 1.444 3.551 1.00 0.00 C ATOM 551 O PHE A 128 -3.984 0.920 4.626 1.00 0.00 O ATOM 552 CB PHE A 128 -2.347 -0.124 2.148 1.00 0.00 C ATOM 553 CG PHE A 128 -1.194 -0.299 1.204 1.00 0.00 C ATOM 554 CD1 PHE A 128 0.105 -0.393 1.677 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.411 -0.376 -0.163 1.00 0.00 C ATOM 556 CE1 PHE A 128 1.163 -0.559 0.805 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.357 -0.541 -1.039 1.00 0.00 C ATOM 558 CZ PHE A 128 0.933 -0.633 -0.555 1.00 0.00 C ATOM 0 H PHE A 128 -1.156 0.347 4.418 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.132 2.011 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.341 -0.942 2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.278 -0.200 1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.292 -0.336 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.418 -0.306 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.171 -0.631 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.541 -0.598 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.760 -0.762 -1.238 1.00 0.00 H new ATOM 568 N ARG A 129 -4.529 2.237 2.883 1.00 0.00 N ATOM 569 CA ARG A 129 -5.865 2.544 3.386 1.00 0.00 C ATOM 570 C ARG A 129 -6.832 2.796 2.233 1.00 0.00 C ATOM 571 O ARG A 129 -6.544 3.580 1.330 1.00 0.00 O ATOM 572 CB ARG A 129 -5.826 3.772 4.300 1.00 0.00 C ATOM 573 CG ARG A 129 -4.957 3.596 5.528 1.00 0.00 C ATOM 574 CD ARG A 129 -5.009 4.820 6.428 1.00 0.00 C ATOM 575 NE ARG A 129 -6.365 5.099 6.896 1.00 0.00 N ATOM 576 CZ ARG A 129 -7.067 4.272 7.665 1.00 0.00 C ATOM 577 NH1 ARG A 129 -6.538 3.125 8.073 1.00 0.00 N ATOM 578 NH2 ARG A 129 -8.300 4.594 8.034 1.00 0.00 N ATOM 0 H ARG A 129 -4.303 2.679 1.992 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.213 1.684 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.462 4.626 3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.842 4.009 4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.286 2.719 6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -3.927 3.411 5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.354 4.667 7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.628 5.685 5.886 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.798 5.979 6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.589 2.874 7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.081 2.494 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.710 5.476 7.728 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.838 3.959 8.624 1.00 0.00 H new ATOM 592 N CYS A 130 -7.978 2.122 2.269 1.00 0.00 N ATOM 593 CA CYS A 130 -8.987 2.270 1.224 1.00 0.00 C ATOM 594 C CYS A 130 -9.960 3.401 1.549 1.00 0.00 C ATOM 595 O CYS A 130 -10.296 3.628 2.712 1.00 0.00 O ATOM 596 CB CYS A 130 -9.758 0.961 1.041 1.00 0.00 C ATOM 597 SG CYS A 130 -10.896 0.962 -0.379 1.00 0.00 S ATOM 0 H CYS A 130 -8.231 1.468 3.010 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.471 2.518 0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -9.045 0.145 0.921 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.326 0.757 1.948 1.00 0.00 H new ATOM 602 N ASP A 131 -10.409 4.105 0.513 1.00 0.00 N ATOM 603 CA ASP A 131 -11.349 5.213 0.679 1.00 0.00 C ATOM 604 C ASP A 131 -12.621 4.760 1.394 1.00 0.00 C ATOM 605 O ASP A 131 -12.984 3.585 1.342 1.00 0.00 O ATOM 606 CB ASP A 131 -11.708 5.818 -0.680 1.00 0.00 C ATOM 607 CG ASP A 131 -10.544 6.550 -1.318 1.00 0.00 C ATOM 608 OD1 ASP A 131 -9.501 5.911 -1.561 1.00 0.00 O ATOM 609 OD2 ASP A 131 -10.676 7.766 -1.573 1.00 0.00 O ATOM 0 H ASP A 131 -10.137 3.928 -0.454 1.00 0.00 H new ATOM 0 HA ASP A 131 -10.861 5.970 1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.045 5.026 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.543 6.508 -0.557 1.00 0.00 H new ATOM 614 N PRO A 132 -13.321 5.694 2.069 1.00 0.00 N ATOM 615 CA PRO A 132 -14.561 5.397 2.792 1.00 0.00 C ATOM 616 C PRO A 132 -15.537 4.583 1.950 1.00 0.00 C ATOM 617 O PRO A 132 -15.425 4.546 0.724 1.00 0.00 O ATOM 618 CB PRO A 132 -15.149 6.782 3.111 1.00 0.00 C ATOM 619 CG PRO A 132 -14.307 7.766 2.364 1.00 0.00 C ATOM 620 CD PRO A 132 -12.969 7.115 2.177 1.00 0.00 C ATOM 0 HA PRO A 132 -14.374 4.794 3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.192 6.845 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.123 6.980 4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.757 8.013 1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.212 8.698 2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.463 7.477 1.282 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.303 7.306 3.019 1.00 0.00 H new ATOM 628 N ASP A 133 -16.483 3.920 2.621 1.00 0.00 N ATOM 629 CA ASP A 133 -17.478 3.084 1.947 1.00 0.00 C ATOM 630 C ASP A 133 -16.857 1.754 1.525 1.00 0.00 C ATOM 631 O ASP A 133 -17.546 0.740 1.415 1.00 0.00 O ATOM 632 CB ASP A 133 -18.069 3.808 0.729 1.00 0.00 C ATOM 633 CG ASP A 133 -19.211 3.044 0.083 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.601 1.986 0.620 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.721 3.511 -0.956 1.00 0.00 O ATOM 0 H ASP A 133 -16.580 3.947 3.636 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.287 2.886 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.424 4.792 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.283 3.968 -0.009 1.00 0.00 H new ATOM 640 N PHE A 134 -15.545 1.766 1.301 1.00 0.00 N ATOM 641 CA PHE A 134 -14.820 0.567 0.904 1.00 0.00 C ATOM 642 C PHE A 134 -13.709 0.272 1.912 1.00 0.00 C ATOM 643 O PHE A 134 -12.960 1.168 2.298 1.00 0.00 O ATOM 644 CB PHE A 134 -14.220 0.738 -0.495 1.00 0.00 C ATOM 645 CG PHE A 134 -15.230 0.957 -1.586 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.065 2.065 -1.576 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.337 0.053 -2.630 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.987 2.263 -2.586 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.257 0.245 -3.642 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.084 1.352 -3.620 1.00 0.00 C ATOM 0 H PHE A 134 -14.962 2.598 1.389 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.519 -0.269 0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.532 1.583 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.632 -0.148 -0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.994 2.780 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.693 -0.813 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.631 3.129 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.330 -0.469 -4.449 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.805 1.505 -4.410 1.00 0.00 H new ATOM 660 N HIS A 135 -13.613 -0.983 2.345 1.00 0.00 N ATOM 661 CA HIS A 135 -12.596 -1.372 3.320 1.00 0.00 C ATOM 662 C HIS A 135 -11.509 -2.245 2.696 1.00 0.00 C ATOM 663 O HIS A 135 -11.793 -3.151 1.914 1.00 0.00 O ATOM 664 CB HIS A 135 -13.240 -2.107 4.504 1.00 0.00 C ATOM 665 CG HIS A 135 -14.035 -3.325 4.123 1.00 0.00 C ATOM 666 ND1 HIS A 135 -14.348 -3.847 2.912 1.00 0.00 N flip ATOM 667 CD2 HIS A 135 -14.621 -4.156 5.055 1.00 0.00 C flip ATOM 668 CE1 HIS A 135 -15.108 -4.968 3.133 1.00 0.00 C flip ATOM 669 NE2 HIS A 135 -15.258 -5.133 4.433 1.00 0.00 N flip ATOM 0 H HIS A 135 -14.221 -1.743 2.040 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.124 -0.456 3.676 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.456 -2.403 5.201 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.893 -1.414 5.034 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -14.568 -4.028 6.126 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -15.517 -5.611 2.367 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -15.778 -5.887 4.882 1.00 0.00 H new ATOM 678 N LEU A 136 -10.259 -1.974 3.063 1.00 0.00 N ATOM 679 CA LEU A 136 -9.131 -2.748 2.558 1.00 0.00 C ATOM 680 C LEU A 136 -9.112 -4.115 3.236 1.00 0.00 C ATOM 681 O LEU A 136 -9.189 -4.208 4.460 1.00 0.00 O ATOM 682 CB LEU A 136 -7.818 -1.994 2.808 1.00 0.00 C ATOM 683 CG LEU A 136 -6.571 -2.577 2.130 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.422 -1.583 2.193 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.161 -3.889 2.780 1.00 0.00 C ATOM 0 H LEU A 136 -10.003 -1.226 3.707 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.238 -2.890 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.943 -0.965 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.641 -1.959 3.883 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.815 -2.773 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.544 -2.010 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.708 -0.664 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.189 -1.361 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.275 -4.281 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.939 -3.719 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.975 -4.609 2.692 1.00 0.00 H new ATOM 697 N VAL A 137 -9.030 -5.175 2.438 1.00 0.00 N ATOM 698 CA VAL A 137 -9.026 -6.532 2.976 1.00 0.00 C ATOM 699 C VAL A 137 -7.850 -7.350 2.448 1.00 0.00 C ATOM 700 O VAL A 137 -8.023 -8.220 1.593 1.00 0.00 O ATOM 701 CB VAL A 137 -10.340 -7.262 2.636 1.00 0.00 C ATOM 702 CG1 VAL A 137 -10.376 -8.639 3.285 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.540 -6.431 3.065 1.00 0.00 C ATOM 0 H VAL A 137 -8.966 -5.122 1.421 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.928 -6.440 4.058 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.387 -7.396 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -11.312 -9.136 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.539 -9.235 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -10.303 -8.533 4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.458 -6.963 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.499 -6.261 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.524 -5.473 2.545 1.00 0.00 H new ATOM 713 N GLY A 138 -6.653 -7.075 2.959 1.00 0.00 N ATOM 714 CA GLY A 138 -5.485 -7.812 2.516 1.00 0.00 C ATOM 715 C GLY A 138 -4.192 -7.229 3.044 1.00 0.00 C ATOM 716 O GLY A 138 -4.042 -7.023 4.246 1.00 0.00 O ATOM 0 H GLY A 138 -6.473 -6.362 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.570 -8.849 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.457 -7.820 1.426 1.00 0.00 H new ATOM 720 N SER A 139 -3.260 -6.969 2.132 1.00 0.00 N ATOM 721 CA SER A 139 -1.962 -6.401 2.479 1.00 0.00 C ATOM 722 C SER A 139 -2.096 -4.940 2.903 1.00 0.00 C ATOM 723 O SER A 139 -1.535 -4.045 2.271 1.00 0.00 O ATOM 724 CB SER A 139 -1.008 -6.511 1.292 1.00 0.00 C ATOM 725 OG SER A 139 0.218 -5.857 1.563 1.00 0.00 O ATOM 0 H SER A 139 -3.383 -7.145 1.135 1.00 0.00 H new ATOM 0 HA SER A 139 -1.560 -6.966 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.822 -7.561 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.470 -6.072 0.408 1.00 0.00 H new ATOM 0 HG SER A 139 0.045 -4.921 1.795 1.00 0.00 H new ATOM 731 N SER A 140 -2.847 -4.708 3.972 1.00 0.00 N ATOM 732 CA SER A 140 -3.064 -3.363 4.483 1.00 0.00 C ATOM 733 C SER A 140 -1.737 -2.692 4.834 1.00 0.00 C ATOM 734 O SER A 140 -1.651 -1.468 4.913 1.00 0.00 O ATOM 735 CB SER A 140 -3.979 -3.415 5.707 1.00 0.00 C ATOM 736 OG SER A 140 -4.268 -2.113 6.186 1.00 0.00 O ATOM 0 H SER A 140 -3.318 -5.440 4.504 1.00 0.00 H new ATOM 0 HA SER A 140 -3.544 -2.769 3.706 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.907 -3.925 5.449 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.503 -3.998 6.495 1.00 0.00 H new ATOM 0 HG SER A 140 -4.856 -2.175 6.968 1.00 0.00 H new ATOM 742 N ARG A 141 -0.703 -3.506 5.041 1.00 0.00 N ATOM 743 CA ARG A 141 0.623 -2.996 5.381 1.00 0.00 C ATOM 744 C ARG A 141 1.688 -3.602 4.468 1.00 0.00 C ATOM 745 O ARG A 141 1.597 -4.768 4.087 1.00 0.00 O ATOM 746 CB ARG A 141 0.964 -3.297 6.844 1.00 0.00 C ATOM 747 CG ARG A 141 1.082 -4.782 7.163 1.00 0.00 C ATOM 748 CD ARG A 141 -0.270 -5.479 7.134 1.00 0.00 C ATOM 749 NE ARG A 141 -0.152 -6.910 7.401 1.00 0.00 N ATOM 750 CZ ARG A 141 -1.192 -7.733 7.479 1.00 0.00 C ATOM 751 NH1 ARG A 141 -2.425 -7.268 7.326 1.00 0.00 N ATOM 752 NH2 ARG A 141 -1.002 -9.024 7.714 1.00 0.00 N ATOM 0 H ARG A 141 -0.759 -4.523 4.979 1.00 0.00 H new ATOM 0 HA ARG A 141 0.609 -1.916 5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 141 1.905 -2.807 7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.196 -2.859 7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 141 1.750 -5.256 6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 141 1.534 -4.907 8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.928 -5.025 7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.735 -5.329 6.160 1.00 0.00 H new ATOM 0 HE ARG A 141 0.781 -7.299 7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -2.577 -6.275 7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -3.221 -7.903 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.056 -9.387 7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.802 -9.655 7.774 1.00 0.00 H new ATOM 766 N SER A 142 2.693 -2.800 4.120 1.00 0.00 N ATOM 767 CA SER A 142 3.779 -3.251 3.245 1.00 0.00 C ATOM 768 C SER A 142 5.071 -2.507 3.578 1.00 0.00 C ATOM 769 O SER A 142 5.042 -1.329 3.931 1.00 0.00 O ATOM 770 CB SER A 142 3.410 -3.014 1.779 1.00 0.00 C ATOM 771 OG SER A 142 2.217 -3.698 1.435 1.00 0.00 O ATOM 0 H SER A 142 2.780 -1.832 4.430 1.00 0.00 H new ATOM 0 HA SER A 142 3.932 -4.318 3.406 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.285 -1.946 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.224 -3.351 1.137 1.00 0.00 H new ATOM 0 HG SER A 142 2.390 -4.662 1.405 1.00 0.00 H new ATOM 777 N VAL A 143 6.203 -3.200 3.469 1.00 0.00 N ATOM 778 CA VAL A 143 7.495 -2.589 3.767 1.00 0.00 C ATOM 779 C VAL A 143 8.568 -3.034 2.778 1.00 0.00 C ATOM 780 O VAL A 143 8.691 -4.217 2.465 1.00 0.00 O ATOM 781 CB VAL A 143 7.960 -2.926 5.200 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.147 -4.426 5.369 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.243 -2.181 5.535 1.00 0.00 C ATOM 0 H VAL A 143 6.251 -4.177 3.179 1.00 0.00 H new ATOM 0 HA VAL A 143 7.356 -1.511 3.679 1.00 0.00 H new ATOM 0 HB VAL A 143 7.185 -2.602 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.475 -4.639 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.202 -4.934 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.899 -4.781 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.555 -2.431 6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.025 -2.470 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.070 -1.107 5.464 1.00 0.00 H new ATOM 793 N CYS A 144 9.344 -2.070 2.293 1.00 0.00 N ATOM 794 CA CYS A 144 10.414 -2.345 1.341 1.00 0.00 C ATOM 795 C CYS A 144 11.767 -1.991 1.952 1.00 0.00 C ATOM 796 O CYS A 144 11.859 -1.070 2.762 1.00 0.00 O ATOM 797 CB CYS A 144 10.190 -1.552 0.053 1.00 0.00 C ATOM 798 SG CYS A 144 11.457 -1.826 -1.225 1.00 0.00 S ATOM 0 H CYS A 144 9.251 -1.086 2.545 1.00 0.00 H new ATOM 0 HA CYS A 144 10.407 -3.409 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.215 -1.815 -0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.158 -0.490 0.295 1.00 0.00 H new ATOM 803 N SER A 145 12.812 -2.729 1.579 1.00 0.00 N ATOM 804 CA SER A 145 14.141 -2.472 2.126 1.00 0.00 C ATOM 805 C SER A 145 15.255 -2.941 1.190 1.00 0.00 C ATOM 806 O SER A 145 16.258 -3.495 1.643 1.00 0.00 O ATOM 807 CB SER A 145 14.282 -3.164 3.485 1.00 0.00 C ATOM 808 OG SER A 145 13.306 -2.696 4.400 1.00 0.00 O ATOM 0 H SER A 145 12.765 -3.498 0.911 1.00 0.00 H new ATOM 0 HA SER A 145 14.244 -1.393 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 145 14.180 -4.242 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 145 15.279 -2.982 3.887 1.00 0.00 H new ATOM 0 HG SER A 145 13.417 -3.154 5.259 1.00 0.00 H new ATOM 814 N GLN A 146 15.088 -2.699 -0.111 1.00 0.00 N ATOM 815 CA GLN A 146 16.097 -3.081 -1.101 1.00 0.00 C ATOM 816 C GLN A 146 15.622 -2.778 -2.518 1.00 0.00 C ATOM 817 O GLN A 146 16.276 -2.046 -3.261 1.00 0.00 O ATOM 818 CB GLN A 146 16.437 -4.570 -0.985 1.00 0.00 C ATOM 819 CG GLN A 146 17.543 -5.014 -1.931 1.00 0.00 C ATOM 820 CD GLN A 146 17.884 -6.483 -1.784 1.00 0.00 C ATOM 821 OE1 GLN A 146 18.256 -6.942 -0.704 1.00 0.00 O ATOM 822 NE2 GLN A 146 17.764 -7.230 -2.875 1.00 0.00 N ATOM 0 H GLN A 146 14.265 -2.241 -0.504 1.00 0.00 H new ATOM 0 HA GLN A 146 16.991 -2.492 -0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 146 16.737 -4.788 0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 146 15.540 -5.156 -1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 146 17.237 -4.817 -2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 146 18.436 -4.418 -1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 146 17.452 -6.809 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.984 -8.225 -2.838 1.00 0.00 H new ATOM 831 N GLY A 147 14.482 -3.350 -2.885 1.00 0.00 N ATOM 832 CA GLY A 147 13.929 -3.139 -4.208 1.00 0.00 C ATOM 833 C GLY A 147 12.722 -4.018 -4.458 1.00 0.00 C ATOM 834 O GLY A 147 12.522 -4.520 -5.564 1.00 0.00 O ATOM 0 H GLY A 147 13.928 -3.960 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.647 -2.092 -4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.692 -3.346 -4.958 1.00 0.00 H new ATOM 838 N GLN A 148 11.921 -4.201 -3.416 1.00 0.00 N ATOM 839 CA GLN A 148 10.721 -5.022 -3.490 1.00 0.00 C ATOM 840 C GLN A 148 9.930 -4.908 -2.195 1.00 0.00 C ATOM 841 O GLN A 148 10.504 -4.913 -1.105 1.00 0.00 O ATOM 842 CB GLN A 148 11.084 -6.487 -3.752 1.00 0.00 C ATOM 843 CG GLN A 148 9.878 -7.412 -3.792 1.00 0.00 C ATOM 844 CD GLN A 148 10.250 -8.869 -4.019 1.00 0.00 C ATOM 845 OE1 GLN A 148 11.543 -9.144 -4.153 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 9.380 -9.738 -4.072 1.00 0.00 N flip ATOM 0 H GLN A 148 12.085 -3.786 -2.499 1.00 0.00 H new ATOM 0 HA GLN A 148 10.108 -4.663 -4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.617 -6.557 -4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.768 -6.828 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.330 -7.325 -2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.205 -7.087 -4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 148 8.398 -9.484 -3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 148 9.641 -10.712 -4.224 1.00 0.00 H new ATOM 855 N TRP A 149 8.614 -4.800 -2.316 1.00 0.00 N ATOM 856 CA TRP A 149 7.757 -4.678 -1.147 1.00 0.00 C ATOM 857 C TRP A 149 7.440 -6.058 -0.579 1.00 0.00 C ATOM 858 O TRP A 149 7.123 -6.988 -1.321 1.00 0.00 O ATOM 859 CB TRP A 149 6.475 -3.924 -1.510 1.00 0.00 C ATOM 860 CG TRP A 149 6.744 -2.656 -2.268 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.162 -2.552 -3.564 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.643 -1.315 -1.771 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.317 -1.232 -3.907 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.005 -0.452 -2.825 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.278 -0.757 -0.543 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.012 0.933 -2.687 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.287 0.618 -0.408 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.652 1.450 -1.474 1.00 0.00 C ATOM 0 H TRP A 149 8.119 -4.794 -3.208 1.00 0.00 H new ATOM 0 HA TRP A 149 8.281 -4.108 -0.379 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.835 -4.572 -2.109 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.926 -3.688 -0.598 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.344 -3.388 -4.224 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.616 -0.888 -4.819 1.00 0.00 H new ATOM 0 HE3 TRP A 149 5.994 -1.389 0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.292 1.576 -3.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.007 1.060 0.537 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.649 2.521 -1.335 1.00 0.00 H new ATOM 879 N SER A 150 7.558 -6.185 0.739 1.00 0.00 N ATOM 880 CA SER A 150 7.318 -7.455 1.419 1.00 0.00 C ATOM 881 C SER A 150 5.989 -8.078 1.009 1.00 0.00 C ATOM 882 O SER A 150 5.960 -9.161 0.424 1.00 0.00 O ATOM 883 CB SER A 150 7.350 -7.254 2.935 1.00 0.00 C ATOM 884 OG SER A 150 7.119 -8.475 3.616 1.00 0.00 O ATOM 0 H SER A 150 7.820 -5.420 1.361 1.00 0.00 H new ATOM 0 HA SER A 150 8.112 -8.140 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 150 8.317 -6.846 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.594 -6.524 3.224 1.00 0.00 H new ATOM 0 HG SER A 150 7.146 -8.320 4.583 1.00 0.00 H new ATOM 890 N THR A 151 4.890 -7.403 1.326 1.00 0.00 N ATOM 891 CA THR A 151 3.567 -7.915 0.993 1.00 0.00 C ATOM 892 C THR A 151 3.074 -7.394 -0.356 1.00 0.00 C ATOM 893 O THR A 151 3.236 -6.215 -0.673 1.00 0.00 O ATOM 894 CB THR A 151 2.546 -7.550 2.080 1.00 0.00 C ATOM 895 OG1 THR A 151 2.602 -6.145 2.338 1.00 0.00 O ATOM 896 CG2 THR A 151 2.821 -8.320 3.363 1.00 0.00 C ATOM 0 H THR A 151 4.889 -6.505 1.810 1.00 0.00 H new ATOM 0 HA THR A 151 3.660 -8.999 0.931 1.00 0.00 H new ATOM 0 HB THR A 151 1.551 -7.819 1.725 1.00 0.00 H new ATOM 0 HG1 THR A 151 1.723 -5.832 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.085 -8.044 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 151 2.756 -9.390 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.820 -8.078 3.725 1.00 0.00 H new ATOM 904 N PRO A 152 2.451 -8.271 -1.165 1.00 0.00 N ATOM 905 CA PRO A 152 1.917 -7.898 -2.481 1.00 0.00 C ATOM 906 C PRO A 152 0.710 -6.973 -2.361 1.00 0.00 C ATOM 907 O PRO A 152 -0.068 -7.087 -1.417 1.00 0.00 O ATOM 908 CB PRO A 152 1.505 -9.239 -3.094 1.00 0.00 C ATOM 909 CG PRO A 152 1.236 -10.120 -1.923 1.00 0.00 C ATOM 910 CD PRO A 152 2.204 -9.693 -0.855 1.00 0.00 C ATOM 0 HA PRO A 152 2.645 -7.351 -3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.620 -9.133 -3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.296 -9.647 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.206 -10.013 -1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.379 -11.169 -2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.783 -9.819 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.124 -10.277 -0.889 1.00 0.00 H new ATOM 918 N LYS A 153 0.563 -6.056 -3.314 1.00 0.00 N ATOM 919 CA LYS A 153 -0.551 -5.111 -3.296 1.00 0.00 C ATOM 920 C LYS A 153 -1.874 -5.836 -3.046 1.00 0.00 C ATOM 921 O LYS A 153 -2.182 -6.826 -3.710 1.00 0.00 O ATOM 922 CB LYS A 153 -0.621 -4.341 -4.615 1.00 0.00 C ATOM 923 CG LYS A 153 -1.614 -3.191 -4.590 1.00 0.00 C ATOM 924 CD LYS A 153 -1.697 -2.491 -5.936 1.00 0.00 C ATOM 925 CE LYS A 153 -2.580 -1.256 -5.863 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.764 -0.625 -7.198 1.00 0.00 N ATOM 0 H LYS A 153 1.198 -5.947 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.381 -4.405 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.369 -3.952 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -0.893 -5.029 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.599 -3.567 -4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.320 -2.473 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.697 -2.207 -6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -2.092 -3.180 -6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.553 -1.529 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.137 -0.533 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -2.404 0.350 -7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.242 -1.169 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.775 -0.614 -7.441 1.00 0.00 H new ATOM 940 N PRO A 154 -2.669 -5.357 -2.070 1.00 0.00 N ATOM 941 CA PRO A 154 -3.952 -5.972 -1.723 1.00 0.00 C ATOM 942 C PRO A 154 -5.092 -5.556 -2.649 1.00 0.00 C ATOM 943 O PRO A 154 -4.876 -5.213 -3.811 1.00 0.00 O ATOM 944 CB PRO A 154 -4.201 -5.449 -0.312 1.00 0.00 C ATOM 945 CG PRO A 154 -3.557 -4.106 -0.291 1.00 0.00 C ATOM 946 CD PRO A 154 -2.370 -4.189 -1.218 1.00 0.00 C ATOM 0 HA PRO A 154 -3.916 -7.058 -1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.267 -5.381 -0.097 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.766 -6.109 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.254 -3.336 -0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.244 -3.841 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.260 -3.280 -1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.440 -4.324 -0.666 1.00 0.00 H new ATOM 954 N HIS A 155 -6.309 -5.589 -2.110 1.00 0.00 N ATOM 955 CA HIS A 155 -7.504 -5.218 -2.856 1.00 0.00 C ATOM 956 C HIS A 155 -8.585 -4.729 -1.900 1.00 0.00 C ATOM 957 O HIS A 155 -8.661 -5.183 -0.758 1.00 0.00 O ATOM 958 CB HIS A 155 -8.018 -6.407 -3.671 1.00 0.00 C ATOM 959 CG HIS A 155 -8.385 -7.594 -2.836 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.480 -8.259 -2.037 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.567 -8.234 -2.676 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.089 -9.258 -1.422 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.356 -9.263 -1.792 1.00 0.00 N ATOM 0 H HIS A 155 -6.492 -5.873 -1.147 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.249 -4.412 -3.544 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.890 -6.093 -4.244 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.253 -6.702 -4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.502 -7.982 -3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.629 -9.952 -0.734 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.064 -9.924 -1.473 1.00 0.00 H new ATOM 972 N CYS A 156 -9.416 -3.799 -2.358 1.00 0.00 N ATOM 973 CA CYS A 156 -10.476 -3.259 -1.516 1.00 0.00 C ATOM 974 C CYS A 156 -11.813 -3.934 -1.809 1.00 0.00 C ATOM 975 O CYS A 156 -12.156 -4.189 -2.963 1.00 0.00 O ATOM 976 CB CYS A 156 -10.610 -1.750 -1.714 1.00 0.00 C ATOM 977 SG CYS A 156 -11.608 -0.937 -0.430 1.00 0.00 S ATOM 0 H CYS A 156 -9.377 -3.407 -3.299 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.204 -3.460 -0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -9.616 -1.303 -1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.059 -1.558 -2.688 1.00 0.00 H new ATOM 982 N GLN A 157 -12.564 -4.216 -0.748 1.00 0.00 N ATOM 983 CA GLN A 157 -13.869 -4.858 -0.870 1.00 0.00 C ATOM 984 C GLN A 157 -14.991 -3.838 -0.691 1.00 0.00 C ATOM 985 O GLN A 157 -14.857 -2.886 0.077 1.00 0.00 O ATOM 986 CB GLN A 157 -14.005 -5.981 0.162 1.00 0.00 C ATOM 987 CG GLN A 157 -15.368 -6.660 0.160 1.00 0.00 C ATOM 988 CD GLN A 157 -15.662 -7.421 -1.122 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.676 -7.515 -2.010 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -16.766 -7.933 -1.308 1.00 0.00 N flip ATOM 0 H GLN A 157 -12.289 -4.008 0.212 1.00 0.00 H new ATOM 0 HA GLN A 157 -13.950 -5.286 -1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.237 -6.730 -0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.815 -5.574 1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.424 -7.348 1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.141 -5.907 0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.497 -7.839 -0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.950 -8.451 -2.167 1.00 0.00 H new ATOM 999 N VAL A 158 -16.093 -4.041 -1.408 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.235 -3.139 -1.330 1.00 0.00 C ATOM 1001 C VAL A 158 -17.894 -3.197 0.047 1.00 0.00 C ATOM 1002 O VAL A 158 -18.895 -3.886 0.250 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.278 -3.454 -2.428 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.719 -4.910 -2.357 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.472 -2.518 -2.319 1.00 0.00 C ATOM 0 H VAL A 158 -16.218 -4.824 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.857 -2.129 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.809 -3.293 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.452 -5.107 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.855 -5.559 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.166 -5.108 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -20.194 -2.756 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.941 -2.639 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -19.138 -1.487 -2.436 1.00 0.00 H new ATOM 1015 N ASN A 159 -17.320 -2.467 0.996 1.00 0.00 N ATOM 1016 CA ASN A 159 -17.842 -2.432 2.355 1.00 0.00 C ATOM 1017 C ASN A 159 -19.267 -1.887 2.378 1.00 0.00 C ATOM 1018 O ASN A 159 -19.620 -1.117 1.460 1.00 0.00 O ATOM 1019 CB ASN A 159 -16.939 -1.577 3.245 1.00 0.00 C ATOM 1020 CG ASN A 159 -17.487 -1.413 4.649 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.704 -2.393 5.363 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -17.712 -0.168 5.051 1.00 0.00 N ATOM 1023 OXT ASN A 159 -20.018 -2.234 3.313 1.00 0.00 O ATOM 0 H ASN A 159 -16.492 -1.891 0.848 1.00 0.00 H new ATOM 0 HA ASN A 159 -17.859 -3.452 2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -15.950 -2.032 3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -16.814 -0.594 2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.080 0.007 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.517 0.613 4.425 1.00 0.00 H new TER 1030 ASN A 159