USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 967 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 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 144 MET CE :methyl 172:sc= 0 (180deg=-0.147) USER MOD Set 2.1: A 107 HIS : no HD1:sc= 0.0825 K(o=0.11,f=-0.54) USER MOD Set 2.2: A 111 ASN : amide:sc= 0.023 X(o=0.11,f=-0.38) USER MOD Set 3.1: A 97 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.48) USER MOD Set 3.2: A 135 GLN : amide:sc= 0 X(o=-0.028,f=-0.48) USER MOD Set 4.1: A 60 ASN : amide:sc= -0.344 K(o=-0.34,f=-2.1) USER MOD Set 4.2: A 62 THR OG1 : rot -170:sc= 0 USER MOD Set 5.1: A 5 THR OG1 : rot -62:sc= -0.132 USER MOD Set 5.2: A 8 GLN : amide:sc= 0.324 K(o=0.19,f=-0.4) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.465 USER MOD Single : A 29 THR OG1 : rot 180:sc=0.000889 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -161:sc=-8.18e-05 (180deg=-0.54) USER MOD Single : A 38 SER OG : rot 63:sc= 0.0252 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 42 ASN : amide:sc= -0.0755 X(o=-0.076,f=-0.053) USER MOD Single : A 44 THR OG1 : rot -82:sc= 1.14 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -178:sc= -0.123 (180deg=-0.129) USER MOD Single : A 53 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot 69:sc= 0.0995 USER MOD Single : A 71 MET CE :methyl 173:sc= 0 (180deg=-0.0579) USER MOD Single : A 72 MET CE :methyl 169:sc=-0.000502 (180deg=-0.0561) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0449) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -63:sc= 0.401 USER MOD Single : A 110 THR OG1 : rot 83:sc= 0.885 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -88:sc= 1.23 USER MOD Single : A 124 MET CE :methyl -163:sc= -0.151 (180deg=-1.42) USER MOD Single : A 137 ASN : amide:sc= -0.461 K(o=-0.46,f=-5.7!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 MET CE :methyl -158:sc= -0.12 (180deg=-0.679) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.616 15.175 1.345 1.00 0.00 N ATOM 59 CA THR A 5 -11.991 16.386 0.686 1.00 0.00 C ATOM 60 C THR A 5 -13.404 16.211 0.244 1.00 0.00 C ATOM 61 O THR A 5 -13.977 15.129 0.130 1.00 0.00 O ATOM 62 CB THR A 5 -11.102 16.727 -0.473 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.009 15.687 -1.436 1.00 0.00 O ATOM 64 CG2 THR A 5 -9.644 16.976 -0.051 1.00 0.00 C ATOM 0 HA THR A 5 -11.886 17.223 1.376 1.00 0.00 H new ATOM 0 HB THR A 5 -11.573 17.619 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.610 14.893 -1.023 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.047 17.218 -0.930 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.606 17.807 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.244 16.080 0.423 1.00 0.00 H new ATOM 72 N GLU A 6 -14.097 17.331 -0.026 1.00 0.00 N ATOM 73 CA GLU A 6 -15.487 17.457 -0.338 1.00 0.00 C ATOM 74 C GLU A 6 -15.796 16.838 -1.658 1.00 0.00 C ATOM 75 O GLU A 6 -16.741 16.059 -1.763 1.00 0.00 O ATOM 76 CB GLU A 6 -16.003 18.900 -0.209 1.00 0.00 C ATOM 77 CG GLU A 6 -15.934 19.507 1.193 1.00 0.00 C ATOM 78 CD GLU A 6 -14.580 20.115 1.529 1.00 0.00 C ATOM 79 OE1 GLU A 6 -13.602 19.935 0.754 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.570 20.896 2.517 1.00 0.00 O ATOM 0 H GLU A 6 -13.634 18.240 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.041 16.896 0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.431 19.533 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.039 18.927 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.701 20.276 1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.168 18.735 1.926 1.00 0.00 H new ATOM 87 N GLU A 7 -14.912 17.076 -2.643 1.00 0.00 N ATOM 88 CA GLU A 7 -14.907 16.316 -3.854 1.00 0.00 C ATOM 89 C GLU A 7 -14.720 14.844 -3.716 1.00 0.00 C ATOM 90 O GLU A 7 -15.303 14.069 -4.473 1.00 0.00 O ATOM 91 CB GLU A 7 -13.846 17.039 -4.702 1.00 0.00 C ATOM 92 CG GLU A 7 -12.409 16.832 -4.220 1.00 0.00 C ATOM 93 CD GLU A 7 -11.417 17.484 -5.172 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.435 17.063 -6.360 1.00 0.00 O ATOM 95 OE2 GLU A 7 -10.773 18.479 -4.743 1.00 0.00 O ATOM 0 H GLU A 7 -14.195 17.801 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.890 16.299 -4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.925 16.694 -5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.066 18.107 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.292 17.254 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.197 15.766 -4.142 1.00 0.00 H new ATOM 102 N GLN A 8 -13.834 14.348 -2.834 1.00 0.00 N ATOM 103 CA GLN A 8 -13.770 12.928 -2.678 1.00 0.00 C ATOM 104 C GLN A 8 -14.965 12.237 -2.118 1.00 0.00 C ATOM 105 O GLN A 8 -15.430 11.285 -2.743 1.00 0.00 O ATOM 106 CB GLN A 8 -12.536 12.470 -1.883 1.00 0.00 C ATOM 107 CG GLN A 8 -11.159 12.734 -2.494 1.00 0.00 C ATOM 108 CD GLN A 8 -9.957 12.428 -1.611 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.866 13.027 -0.541 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.104 11.503 -2.126 1.00 0.00 N ATOM 0 H GLN A 8 -13.194 14.894 -2.257 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.711 12.620 -3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.568 12.953 -0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.627 11.397 -1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.071 12.145 -3.407 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.110 13.783 -2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.299 11.079 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.269 11.233 -1.605 1.00 0.00 H new ATOM 119 N ILE A 9 -15.676 12.836 -1.146 1.00 0.00 N ATOM 120 CA ILE A 9 -16.996 12.531 -0.688 1.00 0.00 C ATOM 121 C ILE A 9 -18.013 12.531 -1.777 1.00 0.00 C ATOM 122 O ILE A 9 -18.784 11.573 -1.808 1.00 0.00 O ATOM 123 CB ILE A 9 -17.420 13.429 0.436 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.436 13.480 1.617 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.805 13.080 1.007 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.479 14.690 2.548 1.00 0.00 C ATOM 0 H ILE A 9 -15.280 13.619 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.943 11.510 -0.309 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.447 14.407 -0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.599 12.589 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.427 13.409 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.049 13.768 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.555 13.164 0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.794 12.060 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.726 14.576 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.276 15.596 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.466 14.763 3.005 1.00 0.00 H new ATOM 138 N ALA A 10 -18.050 13.488 -2.721 1.00 0.00 N ATOM 139 CA ALA A 10 -18.911 13.539 -3.862 1.00 0.00 C ATOM 140 C ALA A 10 -18.714 12.458 -4.868 1.00 0.00 C ATOM 141 O ALA A 10 -19.684 11.815 -5.268 1.00 0.00 O ATOM 142 CB ALA A 10 -18.700 14.969 -4.387 1.00 0.00 C ATOM 0 H ALA A 10 -17.425 14.293 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.950 13.338 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.317 15.126 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.983 15.685 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.651 15.110 -4.646 1.00 0.00 H new ATOM 148 N GLU A 11 -17.451 12.239 -5.275 1.00 0.00 N ATOM 149 CA GLU A 11 -17.105 11.175 -6.165 1.00 0.00 C ATOM 150 C GLU A 11 -17.225 9.817 -5.564 1.00 0.00 C ATOM 151 O GLU A 11 -17.318 8.818 -6.275 1.00 0.00 O ATOM 152 CB GLU A 11 -15.690 11.360 -6.740 1.00 0.00 C ATOM 153 CG GLU A 11 -15.353 12.639 -7.510 1.00 0.00 C ATOM 154 CD GLU A 11 -13.917 12.821 -7.980 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.303 11.768 -8.297 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.321 13.931 -7.963 1.00 0.00 O ATOM 0 H GLU A 11 -16.658 12.809 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.840 11.233 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.987 11.283 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.494 10.518 -7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.001 12.685 -8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.610 13.489 -6.878 1.00 0.00 H new ATOM 163 N PHE A 12 -17.202 9.720 -4.223 1.00 0.00 N ATOM 164 CA PHE A 12 -17.277 8.528 -3.436 1.00 0.00 C ATOM 165 C PHE A 12 -18.709 8.177 -3.218 1.00 0.00 C ATOM 166 O PHE A 12 -18.965 6.975 -3.228 1.00 0.00 O ATOM 167 CB PHE A 12 -16.551 8.509 -2.081 1.00 0.00 C ATOM 168 CG PHE A 12 -15.072 8.434 -2.249 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.340 8.247 -3.398 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.381 8.721 -1.096 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.967 8.285 -3.358 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.016 8.868 -1.025 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.328 8.643 -2.194 1.00 0.00 C ATOM 0 H PHE A 12 -17.124 10.552 -3.638 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.732 7.796 -4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.808 9.406 -1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.895 7.656 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.846 8.070 -4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.948 8.839 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.392 8.035 -4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.515 9.143 -0.108 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.253 8.751 -2.198 1.00 0.00 H new ATOM 183 N LYS A 13 -19.641 9.137 -3.081 1.00 0.00 N ATOM 184 CA LYS A 13 -21.067 9.066 -3.157 1.00 0.00 C ATOM 185 C LYS A 13 -21.574 8.682 -4.504 1.00 0.00 C ATOM 186 O LYS A 13 -22.492 7.869 -4.603 1.00 0.00 O ATOM 187 CB LYS A 13 -21.728 10.406 -2.792 1.00 0.00 C ATOM 188 CG LYS A 13 -23.182 10.244 -2.344 1.00 0.00 C ATOM 189 CD LYS A 13 -23.772 11.548 -1.803 1.00 0.00 C ATOM 190 CE LYS A 13 -24.173 12.695 -2.732 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.272 12.251 -3.619 1.00 0.00 N ATOM 0 H LYS A 13 -19.347 10.095 -2.890 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.333 8.290 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.157 10.883 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.690 11.072 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.783 9.898 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.239 9.475 -1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.660 11.279 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.048 11.953 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.490 13.558 -2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.316 13.012 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.545 13.031 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.953 11.440 -4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -26.091 11.970 -3.043 1.00 0.00 H new ATOM 205 N GLU A 14 -21.038 9.149 -5.646 1.00 0.00 N ATOM 206 CA GLU A 14 -21.301 8.641 -6.956 1.00 0.00 C ATOM 207 C GLU A 14 -20.862 7.220 -7.055 1.00 0.00 C ATOM 208 O GLU A 14 -21.562 6.418 -7.671 1.00 0.00 O ATOM 209 CB GLU A 14 -20.593 9.526 -7.996 1.00 0.00 C ATOM 210 CG GLU A 14 -21.285 10.865 -8.258 1.00 0.00 C ATOM 211 CD GLU A 14 -22.782 10.740 -8.502 1.00 0.00 C ATOM 212 OE1 GLU A 14 -23.266 9.873 -9.277 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.521 11.572 -7.911 1.00 0.00 O ATOM 0 H GLU A 14 -20.381 9.929 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.372 8.667 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.574 9.717 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.522 8.977 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.118 11.524 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.823 11.340 -9.123 1.00 0.00 H new ATOM 220 N ALA A 15 -19.641 6.866 -6.615 1.00 0.00 N ATOM 221 CA ALA A 15 -19.136 5.529 -6.647 1.00 0.00 C ATOM 222 C ALA A 15 -19.908 4.441 -5.983 1.00 0.00 C ATOM 223 O ALA A 15 -20.159 3.386 -6.562 1.00 0.00 O ATOM 224 CB ALA A 15 -17.628 5.552 -6.346 1.00 0.00 C ATOM 0 H ALA A 15 -18.981 7.537 -6.222 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.304 5.190 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.237 4.535 -6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.116 6.155 -7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.461 5.983 -5.359 1.00 0.00 H new ATOM 230 N PHE A 16 -20.442 4.654 -4.767 1.00 0.00 N ATOM 231 CA PHE A 16 -21.247 3.809 -3.941 1.00 0.00 C ATOM 232 C PHE A 16 -22.385 3.144 -4.636 1.00 0.00 C ATOM 233 O PHE A 16 -22.540 1.925 -4.688 1.00 0.00 O ATOM 234 CB PHE A 16 -21.764 4.800 -2.884 1.00 0.00 C ATOM 235 CG PHE A 16 -22.326 4.099 -1.696 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.573 3.520 -1.687 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.466 3.830 -0.658 1.00 0.00 C ATOM 238 CE1 PHE A 16 -24.017 2.826 -0.585 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.866 3.074 0.419 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.174 2.656 0.488 1.00 0.00 C ATOM 0 H PHE A 16 -20.283 5.548 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.673 2.965 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.950 5.453 -2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.530 5.436 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.211 3.611 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.459 4.219 -0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -25.017 2.419 -0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.164 2.813 1.198 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.542 2.191 1.391 1.00 0.00 H new ATOM 250 N SER A 17 -23.204 4.024 -5.240 1.00 0.00 N ATOM 251 CA SER A 17 -24.332 3.645 -6.034 1.00 0.00 C ATOM 252 C SER A 17 -24.091 2.911 -7.308 1.00 0.00 C ATOM 253 O SER A 17 -24.988 2.152 -7.672 1.00 0.00 O ATOM 254 CB SER A 17 -25.234 4.879 -6.205 1.00 0.00 C ATOM 255 OG SER A 17 -24.508 5.903 -6.869 1.00 0.00 O ATOM 0 H SER A 17 -23.077 5.034 -5.173 1.00 0.00 H new ATOM 0 HA SER A 17 -24.831 2.857 -5.470 1.00 0.00 H new ATOM 0 HB2 SER A 17 -26.123 4.617 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.575 5.232 -5.232 1.00 0.00 H new ATOM 0 HG SER A 17 -25.081 6.690 -6.981 1.00 0.00 H new ATOM 261 N LEU A 18 -22.908 3.106 -7.917 1.00 0.00 N ATOM 262 CA LEU A 18 -22.454 2.297 -9.005 1.00 0.00 C ATOM 263 C LEU A 18 -22.103 0.898 -8.627 1.00 0.00 C ATOM 264 O LEU A 18 -22.297 -0.043 -9.394 1.00 0.00 O ATOM 265 CB LEU A 18 -21.257 2.898 -9.760 1.00 0.00 C ATOM 266 CG LEU A 18 -21.608 4.241 -10.422 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.316 4.979 -10.813 1.00 0.00 C ATOM 268 CD2 LEU A 18 -22.521 4.027 -11.642 1.00 0.00 C ATOM 0 H LEU A 18 -22.253 3.841 -7.648 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.325 2.274 -9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.427 3.041 -9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.919 2.196 -10.522 1.00 0.00 H new ATOM 0 HG LEU A 18 -22.157 4.857 -9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.568 5.930 -11.282 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -19.717 5.162 -9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -19.746 4.369 -11.514 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -22.756 4.991 -12.094 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -22.011 3.398 -12.372 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -23.443 3.540 -11.325 1.00 0.00 H new ATOM 280 N PHE A 19 -21.592 0.717 -7.397 1.00 0.00 N ATOM 281 CA PHE A 19 -21.247 -0.551 -6.832 1.00 0.00 C ATOM 282 C PHE A 19 -22.392 -1.360 -6.326 1.00 0.00 C ATOM 283 O PHE A 19 -22.549 -2.567 -6.502 1.00 0.00 O ATOM 284 CB PHE A 19 -20.232 -0.540 -5.676 1.00 0.00 C ATOM 285 CG PHE A 19 -18.947 -0.049 -6.248 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.345 -0.489 -7.403 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.300 0.860 -5.443 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.134 0.027 -7.800 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.127 1.422 -5.887 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.519 0.998 -7.045 1.00 0.00 C ATOM 0 H PHE A 19 -21.410 1.495 -6.763 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.801 -0.999 -7.720 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.571 0.109 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.113 -1.538 -5.254 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.827 -1.246 -8.003 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.707 1.127 -4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.666 -0.330 -8.705 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.672 2.215 -5.313 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.575 1.420 -7.356 1.00 0.00 H new ATOM 300 N ASP A 20 -23.294 -0.729 -5.553 1.00 0.00 N ATOM 301 CA ASP A 20 -24.548 -1.199 -5.051 1.00 0.00 C ATOM 302 C ASP A 20 -25.400 -1.632 -6.194 1.00 0.00 C ATOM 303 O ASP A 20 -25.818 -0.850 -7.046 1.00 0.00 O ATOM 304 CB ASP A 20 -25.318 -0.217 -4.152 1.00 0.00 C ATOM 305 CG ASP A 20 -26.475 -0.809 -3.360 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.749 -2.029 -3.521 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.260 -0.086 -2.690 1.00 0.00 O ATOM 0 H ASP A 20 -23.119 0.227 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.307 -2.034 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.615 0.231 -3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.704 0.589 -4.775 1.00 0.00 H new ATOM 312 N LYS A 21 -25.700 -2.939 -6.291 1.00 0.00 N ATOM 313 CA LYS A 21 -26.299 -3.537 -7.443 1.00 0.00 C ATOM 314 C LYS A 21 -27.779 -3.571 -7.275 1.00 0.00 C ATOM 315 O LYS A 21 -28.444 -2.910 -8.071 1.00 0.00 O ATOM 316 CB LYS A 21 -25.681 -4.929 -7.656 1.00 0.00 C ATOM 317 CG LYS A 21 -26.080 -5.537 -9.003 1.00 0.00 C ATOM 318 CD LYS A 21 -25.253 -5.223 -10.251 1.00 0.00 C ATOM 319 CE LYS A 21 -25.899 -5.644 -11.572 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.099 -5.172 -12.725 1.00 0.00 N ATOM 0 H LYS A 21 -25.519 -3.604 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.101 -2.951 -8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.595 -4.855 -7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.998 -5.593 -6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.088 -6.620 -8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.106 -5.231 -9.207 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.061 -4.150 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.286 -5.717 -10.162 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.990 -6.730 -11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.908 -5.237 -11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.557 -5.469 -13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.034 -4.134 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.144 -5.580 -12.675 1.00 0.00 H new ATOM 334 N ASP A 22 -28.314 -4.135 -6.177 1.00 0.00 N ATOM 335 CA ASP A 22 -29.710 -4.019 -5.889 1.00 0.00 C ATOM 336 C ASP A 22 -30.213 -2.662 -5.535 1.00 0.00 C ATOM 337 O ASP A 22 -31.363 -2.306 -5.783 1.00 0.00 O ATOM 338 CB ASP A 22 -30.283 -5.105 -4.963 1.00 0.00 C ATOM 339 CG ASP A 22 -29.485 -5.548 -3.746 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.857 -4.614 -3.178 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.385 -6.736 -3.338 1.00 0.00 O ATOM 0 H ASP A 22 -27.782 -4.670 -5.491 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.123 -4.211 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.252 -4.754 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.468 -5.990 -5.572 1.00 0.00 H new ATOM 346 N GLY A 23 -29.328 -1.767 -5.060 1.00 0.00 N ATOM 347 CA GLY A 23 -29.569 -0.358 -5.007 1.00 0.00 C ATOM 348 C GLY A 23 -30.373 0.041 -3.817 1.00 0.00 C ATOM 349 O GLY A 23 -31.268 0.881 -3.891 1.00 0.00 O ATOM 0 H GLY A 23 -28.412 -2.034 -4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.615 0.170 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.089 -0.048 -5.913 1.00 0.00 H new ATOM 353 N ASP A 24 -30.230 -0.668 -2.684 1.00 0.00 N ATOM 354 CA ASP A 24 -31.011 -0.436 -1.509 1.00 0.00 C ATOM 355 C ASP A 24 -30.398 0.642 -0.683 1.00 0.00 C ATOM 356 O ASP A 24 -31.047 1.246 0.170 1.00 0.00 O ATOM 357 CB ASP A 24 -31.060 -1.772 -0.748 1.00 0.00 C ATOM 358 CG ASP A 24 -29.708 -2.293 -0.283 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.731 -2.468 -1.059 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.610 -2.599 0.935 1.00 0.00 O ATOM 0 H ASP A 24 -29.553 -1.424 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 24 -32.019 -0.102 -1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.707 -1.655 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.521 -2.523 -1.390 1.00 0.00 H new ATOM 365 N GLY A 25 -29.118 0.984 -0.916 1.00 0.00 N ATOM 366 CA GLY A 25 -28.388 1.889 -0.083 1.00 0.00 C ATOM 367 C GLY A 25 -27.243 1.334 0.693 1.00 0.00 C ATOM 368 O GLY A 25 -26.553 2.050 1.416 1.00 0.00 O ATOM 0 H GLY A 25 -28.578 0.623 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -28.010 2.695 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -29.088 2.337 0.623 1.00 0.00 H new ATOM 372 N THR A 26 -27.004 0.020 0.528 1.00 0.00 N ATOM 373 CA THR A 26 -26.077 -0.682 1.361 1.00 0.00 C ATOM 374 C THR A 26 -25.282 -1.586 0.484 1.00 0.00 C ATOM 375 O THR A 26 -25.764 -2.134 -0.506 1.00 0.00 O ATOM 376 CB THR A 26 -26.645 -1.599 2.404 1.00 0.00 C ATOM 377 OG1 THR A 26 -28.022 -1.289 2.555 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.930 -1.275 3.726 1.00 0.00 C ATOM 0 H THR A 26 -27.453 -0.557 -0.183 1.00 0.00 H new ATOM 0 HA THR A 26 -25.539 0.111 1.880 1.00 0.00 H new ATOM 0 HB THR A 26 -26.518 -2.647 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.549 -1.827 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.314 -1.921 4.515 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.859 -1.441 3.610 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.110 -0.233 3.991 1.00 0.00 H new ATOM 386 N ILE A 27 -24.002 -1.786 0.844 1.00 0.00 N ATOM 387 CA ILE A 27 -23.127 -2.576 0.034 1.00 0.00 C ATOM 388 C ILE A 27 -22.812 -3.790 0.839 1.00 0.00 C ATOM 389 O ILE A 27 -22.417 -3.664 1.997 1.00 0.00 O ATOM 390 CB ILE A 27 -21.898 -1.950 -0.555 1.00 0.00 C ATOM 391 CG1 ILE A 27 -22.175 -0.543 -1.113 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.516 -2.828 -1.759 1.00 0.00 C ATOM 393 CD1 ILE A 27 -21.015 0.041 -1.918 1.00 0.00 C ATOM 0 H ILE A 27 -23.575 -1.405 1.688 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.669 -2.777 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.130 -1.875 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -23.061 -0.582 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -22.404 0.128 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.623 -2.424 -2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.318 -3.845 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.337 -2.839 -2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -21.285 1.034 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -20.132 0.113 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -20.799 -0.607 -2.768 1.00 0.00 H new ATOM 405 N THR A 28 -23.046 -5.003 0.306 1.00 0.00 N ATOM 406 CA THR A 28 -22.745 -6.248 0.940 1.00 0.00 C ATOM 407 C THR A 28 -21.322 -6.632 0.722 1.00 0.00 C ATOM 408 O THR A 28 -20.533 -6.002 0.019 1.00 0.00 O ATOM 409 CB THR A 28 -23.624 -7.398 0.547 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.543 -7.725 -0.833 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.061 -6.887 0.744 1.00 0.00 C ATOM 0 H THR A 28 -23.467 -5.120 -0.616 1.00 0.00 H new ATOM 0 HA THR A 28 -22.941 -6.058 1.995 1.00 0.00 H new ATOM 0 HB THR A 28 -23.331 -8.271 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.136 -8.481 -1.025 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.767 -7.673 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.208 -6.607 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.228 -6.018 0.108 1.00 0.00 H new ATOM 419 N THR A 29 -20.947 -7.771 1.331 1.00 0.00 N ATOM 420 CA THR A 29 -19.714 -8.457 1.099 1.00 0.00 C ATOM 421 C THR A 29 -19.689 -9.026 -0.278 1.00 0.00 C ATOM 422 O THR A 29 -18.665 -9.133 -0.952 1.00 0.00 O ATOM 423 CB THR A 29 -19.314 -9.535 2.062 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.488 -10.317 2.231 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.891 -9.057 3.461 1.00 0.00 C ATOM 0 H THR A 29 -21.535 -8.238 2.021 1.00 0.00 H new ATOM 0 HA THR A 29 -18.978 -7.668 1.251 1.00 0.00 H new ATOM 0 HB THR A 29 -18.443 -10.045 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.305 -11.052 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.623 -9.918 4.074 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.032 -8.392 3.374 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.718 -8.522 3.928 1.00 0.00 H new ATOM 433 N LYS A 30 -20.867 -9.430 -0.784 1.00 0.00 N ATOM 434 CA LYS A 30 -21.074 -9.921 -2.111 1.00 0.00 C ATOM 435 C LYS A 30 -20.843 -8.859 -3.131 1.00 0.00 C ATOM 436 O LYS A 30 -20.191 -9.179 -4.124 1.00 0.00 O ATOM 437 CB LYS A 30 -22.391 -10.692 -2.303 1.00 0.00 C ATOM 438 CG LYS A 30 -22.377 -11.702 -3.453 1.00 0.00 C ATOM 439 CD LYS A 30 -23.551 -12.682 -3.451 1.00 0.00 C ATOM 440 CE LYS A 30 -23.538 -13.608 -4.669 1.00 0.00 C ATOM 441 NZ LYS A 30 -22.711 -14.777 -4.294 1.00 0.00 N ATOM 0 H LYS A 30 -21.726 -9.413 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.311 -10.682 -2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.627 -11.218 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.194 -9.976 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.376 -11.158 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -21.447 -12.269 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.519 -13.282 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.487 -12.124 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.549 -13.916 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.122 -13.100 -5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -22.669 -15.443 -5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -21.749 -14.460 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -23.133 -15.251 -3.470 1.00 0.00 H new ATOM 455 N GLU A 31 -21.467 -7.677 -2.980 1.00 0.00 N ATOM 456 CA GLU A 31 -21.207 -6.610 -3.896 1.00 0.00 C ATOM 457 C GLU A 31 -19.817 -6.074 -3.878 1.00 0.00 C ATOM 458 O GLU A 31 -19.229 -5.832 -4.931 1.00 0.00 O ATOM 459 CB GLU A 31 -22.305 -5.560 -3.656 1.00 0.00 C ATOM 460 CG GLU A 31 -23.726 -6.075 -3.893 1.00 0.00 C ATOM 461 CD GLU A 31 -24.758 -5.165 -3.243 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.716 -4.804 -2.037 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.706 -4.804 -3.991 1.00 0.00 O ATOM 0 H GLU A 31 -22.137 -7.462 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.254 -6.985 -4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.228 -5.198 -2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.126 -4.707 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.918 -6.140 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.822 -7.083 -3.490 1.00 0.00 H new ATOM 470 N LEU A 32 -19.166 -6.126 -2.702 1.00 0.00 N ATOM 471 CA LEU A 32 -17.800 -5.746 -2.513 1.00 0.00 C ATOM 472 C LEU A 32 -16.869 -6.720 -3.149 1.00 0.00 C ATOM 473 O LEU A 32 -15.884 -6.351 -3.787 1.00 0.00 O ATOM 474 CB LEU A 32 -17.514 -5.347 -1.056 1.00 0.00 C ATOM 475 CG LEU A 32 -16.535 -4.188 -0.802 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.121 -4.492 -1.326 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.019 -2.909 -1.505 1.00 0.00 C ATOM 0 H LEU A 32 -19.613 -6.448 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.598 -4.823 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.464 -5.090 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.131 -6.227 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.499 -4.054 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.467 -3.644 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.731 -5.379 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.162 -4.669 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.314 -2.100 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.085 -3.087 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.001 -2.632 -1.122 1.00 0.00 H new ATOM 489 N GLY A 33 -17.215 -8.019 -3.104 1.00 0.00 N ATOM 490 CA GLY A 33 -16.545 -8.983 -3.920 1.00 0.00 C ATOM 491 C GLY A 33 -16.677 -8.681 -5.373 1.00 0.00 C ATOM 492 O GLY A 33 -15.766 -9.049 -6.113 1.00 0.00 O ATOM 0 H GLY A 33 -17.951 -8.399 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.489 -9.012 -3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.953 -9.973 -3.718 1.00 0.00 H new ATOM 496 N THR A 34 -17.762 -8.093 -5.908 1.00 0.00 N ATOM 497 CA THR A 34 -17.778 -7.848 -7.317 1.00 0.00 C ATOM 498 C THR A 34 -16.786 -6.792 -7.666 1.00 0.00 C ATOM 499 O THR A 34 -16.058 -6.889 -8.652 1.00 0.00 O ATOM 500 CB THR A 34 -19.093 -7.510 -7.954 1.00 0.00 C ATOM 501 OG1 THR A 34 -19.924 -8.606 -7.602 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.183 -7.436 -9.487 1.00 0.00 C ATOM 0 H THR A 34 -18.592 -7.799 -5.394 1.00 0.00 H new ATOM 0 HA THR A 34 -17.523 -8.822 -7.734 1.00 0.00 H new ATOM 0 HB THR A 34 -19.340 -6.505 -7.611 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.819 -8.472 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.202 -7.181 -9.780 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.498 -6.673 -9.855 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.914 -8.402 -9.914 1.00 0.00 H new ATOM 510 N VAL A 35 -16.569 -5.802 -6.781 1.00 0.00 N ATOM 511 CA VAL A 35 -15.668 -4.718 -7.017 1.00 0.00 C ATOM 512 C VAL A 35 -14.269 -5.211 -7.152 1.00 0.00 C ATOM 513 O VAL A 35 -13.497 -4.727 -7.979 1.00 0.00 O ATOM 514 CB VAL A 35 -15.757 -3.678 -5.939 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.788 -2.506 -6.166 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.186 -3.113 -5.890 1.00 0.00 C ATOM 0 H VAL A 35 -17.035 -5.755 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.963 -4.249 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.488 -4.168 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.895 -1.784 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.764 -2.879 -6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.017 -2.023 -7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.252 -2.357 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.432 -2.662 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.889 -3.919 -5.677 1.00 0.00 H new ATOM 526 N MET A 36 -13.934 -6.189 -6.291 1.00 0.00 N ATOM 527 CA MET A 36 -12.642 -6.801 -6.270 1.00 0.00 C ATOM 528 C MET A 36 -12.376 -7.594 -7.503 1.00 0.00 C ATOM 529 O MET A 36 -11.296 -7.465 -8.078 1.00 0.00 O ATOM 530 CB MET A 36 -12.581 -7.820 -5.119 1.00 0.00 C ATOM 531 CG MET A 36 -12.544 -7.362 -3.660 1.00 0.00 C ATOM 532 SD MET A 36 -10.857 -6.797 -3.284 1.00 0.00 S ATOM 533 CE MET A 36 -11.280 -6.118 -1.654 1.00 0.00 C ATOM 0 H MET A 36 -14.577 -6.563 -5.593 1.00 0.00 H new ATOM 0 HA MET A 36 -11.918 -5.992 -6.171 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.446 -8.474 -5.226 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.695 -8.434 -5.283 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.260 -6.557 -3.496 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.827 -8.180 -2.998 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.508 -5.414 -1.342 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.239 -5.603 -1.712 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.347 -6.929 -0.928 1.00 0.00 H new ATOM 543 N ARG A 37 -13.369 -8.350 -8.005 1.00 0.00 N ATOM 544 CA ARG A 37 -13.309 -9.099 -9.221 1.00 0.00 C ATOM 545 C ARG A 37 -13.239 -8.274 -10.460 1.00 0.00 C ATOM 546 O ARG A 37 -12.638 -8.645 -11.467 1.00 0.00 O ATOM 547 CB ARG A 37 -14.516 -10.047 -9.332 1.00 0.00 C ATOM 548 CG ARG A 37 -13.963 -11.473 -9.307 1.00 0.00 C ATOM 549 CD ARG A 37 -13.251 -11.855 -8.008 1.00 0.00 C ATOM 550 NE ARG A 37 -12.713 -13.237 -8.150 1.00 0.00 N ATOM 551 CZ ARG A 37 -13.347 -14.384 -7.769 1.00 0.00 C ATOM 552 NH1 ARG A 37 -14.605 -14.344 -7.240 1.00 0.00 N ATOM 553 NH2 ARG A 37 -12.891 -15.607 -8.169 1.00 0.00 N ATOM 0 H ARG A 37 -14.268 -8.443 -7.532 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.373 -9.653 -9.157 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.210 -9.887 -8.507 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.068 -9.863 -10.253 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.784 -12.170 -9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.267 -11.594 -10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.443 -11.154 -7.799 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.943 -11.803 -7.168 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.788 -13.335 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.082 -13.450 -7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.068 -15.208 -6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.064 -15.674 -8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.377 -16.454 -7.875 1.00 0.00 H new ATOM 567 N SER A 38 -13.853 -7.078 -10.483 1.00 0.00 N ATOM 568 CA SER A 38 -13.765 -6.230 -11.631 1.00 0.00 C ATOM 569 C SER A 38 -12.540 -5.382 -11.610 1.00 0.00 C ATOM 570 O SER A 38 -12.116 -4.718 -12.555 1.00 0.00 O ATOM 571 CB SER A 38 -14.842 -5.138 -11.749 1.00 0.00 C ATOM 572 OG SER A 38 -16.144 -5.702 -11.697 1.00 0.00 O ATOM 0 H SER A 38 -14.406 -6.700 -9.714 1.00 0.00 H new ATOM 0 HA SER A 38 -13.830 -6.970 -12.429 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.722 -4.415 -10.942 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.714 -4.595 -12.685 1.00 0.00 H new ATOM 0 HG SER A 38 -16.281 -6.130 -10.826 1.00 0.00 H new ATOM 578 N LEU A 39 -11.826 -5.358 -10.471 1.00 0.00 N ATOM 579 CA LEU A 39 -10.507 -4.804 -10.455 1.00 0.00 C ATOM 580 C LEU A 39 -9.442 -5.779 -10.821 1.00 0.00 C ATOM 581 O LEU A 39 -8.652 -5.594 -11.746 1.00 0.00 O ATOM 582 CB LEU A 39 -10.200 -4.230 -9.061 1.00 0.00 C ATOM 583 CG LEU A 39 -11.021 -2.930 -9.053 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.190 -2.352 -7.638 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.375 -1.801 -9.874 1.00 0.00 C ATOM 0 H LEU A 39 -12.154 -5.716 -9.574 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.498 -4.022 -11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.506 -4.909 -8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.135 -4.039 -8.925 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.976 -3.229 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.777 -1.435 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.703 -3.078 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.210 -2.133 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.004 -0.912 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.391 -1.571 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.272 -2.119 -10.912 1.00 0.00 H new ATOM 597 N GLY A 40 -9.431 -6.903 -10.082 1.00 0.00 N ATOM 598 CA GLY A 40 -8.555 -8.009 -10.316 1.00 0.00 C ATOM 599 C GLY A 40 -7.882 -8.601 -9.126 1.00 0.00 C ATOM 600 O GLY A 40 -6.659 -8.730 -9.125 1.00 0.00 O ATOM 0 H GLY A 40 -10.057 -7.047 -9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.126 -8.796 -10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.784 -7.689 -11.017 1.00 0.00 H new ATOM 604 N GLN A 41 -8.741 -8.809 -8.112 1.00 0.00 N ATOM 605 CA GLN A 41 -8.370 -9.346 -6.840 1.00 0.00 C ATOM 606 C GLN A 41 -9.378 -10.405 -6.550 1.00 0.00 C ATOM 607 O GLN A 41 -10.493 -10.309 -7.059 1.00 0.00 O ATOM 608 CB GLN A 41 -8.271 -8.324 -5.695 1.00 0.00 C ATOM 609 CG GLN A 41 -7.155 -7.304 -5.926 1.00 0.00 C ATOM 610 CD GLN A 41 -5.840 -7.747 -5.301 1.00 0.00 C ATOM 611 OE1 GLN A 41 -5.412 -8.897 -5.396 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.170 -6.838 -4.544 1.00 0.00 N ATOM 0 H GLN A 41 -9.736 -8.594 -8.182 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.352 -9.731 -6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.222 -7.802 -5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.093 -8.849 -4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.016 -7.155 -6.997 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.450 -6.342 -5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.521 -5.884 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.316 -7.110 -4.057 1.00 0.00 H new ATOM 621 N ASN A 42 -9.012 -11.369 -5.687 1.00 0.00 N ATOM 622 CA ASN A 42 -9.811 -12.520 -5.399 1.00 0.00 C ATOM 623 C ASN A 42 -9.553 -12.942 -3.994 1.00 0.00 C ATOM 624 O ASN A 42 -9.003 -14.014 -3.745 1.00 0.00 O ATOM 625 CB ASN A 42 -9.500 -13.694 -6.342 1.00 0.00 C ATOM 626 CG ASN A 42 -8.064 -14.120 -6.612 1.00 0.00 C ATOM 627 OD1 ASN A 42 -7.435 -13.704 -7.583 1.00 0.00 O ATOM 628 ND2 ASN A 42 -7.452 -15.036 -5.814 1.00 0.00 N ATOM 0 H ASN A 42 -8.131 -11.347 -5.173 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.857 -12.249 -5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.024 -14.566 -5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.950 -13.458 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.507 -15.352 -6.032 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.938 -15.407 -4.998 1.00 0.00 H new ATOM 635 N PRO A 43 -10.055 -12.184 -3.064 1.00 0.00 N ATOM 636 CA PRO A 43 -10.219 -12.662 -1.722 1.00 0.00 C ATOM 637 C PRO A 43 -11.209 -13.773 -1.646 1.00 0.00 C ATOM 638 O PRO A 43 -11.887 -14.072 -2.628 1.00 0.00 O ATOM 639 CB PRO A 43 -10.656 -11.456 -0.894 1.00 0.00 C ATOM 640 CG PRO A 43 -11.426 -10.642 -1.945 1.00 0.00 C ATOM 641 CD PRO A 43 -10.537 -10.817 -3.186 1.00 0.00 C ATOM 0 HA PRO A 43 -9.288 -13.082 -1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.285 -11.741 -0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.808 -10.906 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.433 -11.028 -2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.528 -9.595 -1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.100 -10.670 -4.108 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.716 -10.101 -3.196 1.00 0.00 H new ATOM 649 N THR A 44 -11.241 -14.537 -0.540 1.00 0.00 N ATOM 650 CA THR A 44 -12.337 -15.400 -0.224 1.00 0.00 C ATOM 651 C THR A 44 -13.404 -14.544 0.366 1.00 0.00 C ATOM 652 O THR A 44 -13.230 -13.407 0.801 1.00 0.00 O ATOM 653 CB THR A 44 -11.999 -16.601 0.609 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.380 -16.161 1.809 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.088 -17.545 -0.194 1.00 0.00 C ATOM 0 H THR A 44 -10.490 -14.556 0.150 1.00 0.00 H new ATOM 0 HA THR A 44 -12.683 -15.874 -1.142 1.00 0.00 H new ATOM 0 HB THR A 44 -12.899 -17.158 0.869 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.429 -15.990 1.643 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.843 -18.417 0.412 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.604 -17.865 -1.099 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.171 -17.022 -0.465 1.00 0.00 H new ATOM 663 N GLU A 45 -14.613 -15.131 0.436 1.00 0.00 N ATOM 664 CA GLU A 45 -15.741 -14.443 0.983 1.00 0.00 C ATOM 665 C GLU A 45 -15.608 -14.199 2.446 1.00 0.00 C ATOM 666 O GLU A 45 -16.015 -13.174 2.991 1.00 0.00 O ATOM 667 CB GLU A 45 -16.946 -15.387 0.838 1.00 0.00 C ATOM 668 CG GLU A 45 -17.335 -15.603 -0.626 1.00 0.00 C ATOM 669 CD GLU A 45 -18.600 -16.389 -0.939 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.434 -16.685 -0.041 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.859 -16.794 -2.103 1.00 0.00 O ATOM 0 H GLU A 45 -14.809 -16.079 0.115 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.838 -13.489 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.710 -16.348 1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.796 -14.975 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.433 -14.622 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.503 -16.107 -1.118 1.00 0.00 H new ATOM 678 N ALA A 46 -15.005 -15.135 3.200 1.00 0.00 N ATOM 679 CA ALA A 46 -14.750 -14.957 4.596 1.00 0.00 C ATOM 680 C ALA A 46 -13.686 -13.942 4.834 1.00 0.00 C ATOM 681 O ALA A 46 -13.685 -13.206 5.819 1.00 0.00 O ATOM 682 CB ALA A 46 -14.394 -16.329 5.195 1.00 0.00 C ATOM 0 H ALA A 46 -14.688 -16.033 2.833 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.640 -14.569 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.195 -16.220 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.227 -17.017 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.507 -16.724 4.699 1.00 0.00 H new ATOM 688 N GLU A 47 -12.661 -13.749 3.984 1.00 0.00 N ATOM 689 CA GLU A 47 -11.687 -12.702 3.984 1.00 0.00 C ATOM 690 C GLU A 47 -12.372 -11.401 3.741 1.00 0.00 C ATOM 691 O GLU A 47 -12.042 -10.404 4.382 1.00 0.00 O ATOM 692 CB GLU A 47 -10.598 -12.829 2.905 1.00 0.00 C ATOM 693 CG GLU A 47 -9.477 -13.786 3.313 1.00 0.00 C ATOM 694 CD GLU A 47 -8.678 -14.271 2.112 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.247 -14.923 1.197 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.431 -14.106 2.192 1.00 0.00 O ATOM 0 H GLU A 47 -12.501 -14.399 3.215 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.200 -12.768 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.050 -13.179 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.175 -11.845 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.810 -13.285 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.903 -14.643 3.835 1.00 0.00 H new ATOM 703 N LEU A 48 -13.342 -11.332 2.813 1.00 0.00 N ATOM 704 CA LEU A 48 -14.152 -10.161 2.683 1.00 0.00 C ATOM 705 C LEU A 48 -14.967 -9.857 3.892 1.00 0.00 C ATOM 706 O LEU A 48 -15.098 -8.677 4.214 1.00 0.00 O ATOM 707 CB LEU A 48 -15.008 -10.217 1.406 1.00 0.00 C ATOM 708 CG LEU A 48 -14.250 -9.609 0.214 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.001 -10.021 -1.064 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.082 -8.082 0.289 1.00 0.00 C ATOM 0 H LEU A 48 -13.565 -12.081 2.157 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.461 -9.323 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.273 -11.251 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.941 -9.676 1.564 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.230 -9.995 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.492 -9.607 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.022 -11.108 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.021 -9.640 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.538 -7.732 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.064 -7.609 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.526 -7.821 1.189 1.00 0.00 H new ATOM 722 N GLN A 49 -15.567 -10.855 4.566 1.00 0.00 N ATOM 723 CA GLN A 49 -16.334 -10.550 5.733 1.00 0.00 C ATOM 724 C GLN A 49 -15.606 -10.135 6.965 1.00 0.00 C ATOM 725 O GLN A 49 -16.065 -9.346 7.790 1.00 0.00 O ATOM 726 CB GLN A 49 -17.242 -11.786 5.842 1.00 0.00 C ATOM 727 CG GLN A 49 -18.253 -11.706 6.988 1.00 0.00 C ATOM 728 CD GLN A 49 -19.460 -12.623 6.854 1.00 0.00 C ATOM 729 OE1 GLN A 49 -20.595 -12.190 6.660 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.174 -13.949 6.950 1.00 0.00 N ATOM 0 H GLN A 49 -15.525 -11.842 4.314 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.884 -9.615 5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.780 -11.915 4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.621 -12.671 5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.740 -11.941 7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.605 -10.678 7.069 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.214 -14.253 7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.920 -14.639 6.860 1.00 0.00 H new ATOM 739 N ASP A 50 -14.305 -10.477 6.956 1.00 0.00 N ATOM 740 CA ASP A 50 -13.447 -10.104 8.037 1.00 0.00 C ATOM 741 C ASP A 50 -13.005 -8.686 7.908 1.00 0.00 C ATOM 742 O ASP A 50 -13.149 -7.926 8.863 1.00 0.00 O ATOM 743 CB ASP A 50 -12.258 -11.079 8.013 1.00 0.00 C ATOM 744 CG ASP A 50 -11.500 -11.073 9.333 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.160 -11.025 10.405 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.250 -11.211 9.263 1.00 0.00 O ATOM 0 H ASP A 50 -13.852 -11.005 6.210 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.969 -10.167 8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.617 -12.087 7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.581 -10.808 7.203 1.00 0.00 H new ATOM 751 N MET A 51 -12.613 -8.190 6.721 1.00 0.00 N ATOM 752 CA MET A 51 -12.224 -6.831 6.507 1.00 0.00 C ATOM 753 C MET A 51 -13.351 -5.886 6.747 1.00 0.00 C ATOM 754 O MET A 51 -13.155 -4.852 7.384 1.00 0.00 O ATOM 755 CB MET A 51 -11.752 -6.716 5.048 1.00 0.00 C ATOM 756 CG MET A 51 -10.309 -7.224 5.028 1.00 0.00 C ATOM 757 SD MET A 51 -9.407 -7.094 3.455 1.00 0.00 S ATOM 758 CE MET A 51 -10.459 -8.164 2.431 1.00 0.00 C ATOM 0 H MET A 51 -12.565 -8.759 5.876 1.00 0.00 H new ATOM 0 HA MET A 51 -11.432 -6.566 7.207 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.383 -7.309 4.386 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.807 -5.684 4.701 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.748 -6.678 5.786 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.315 -8.272 5.329 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.038 -8.235 1.428 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.509 -9.158 2.875 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.462 -7.741 2.374 1.00 0.00 H new ATOM 768 N ILE A 52 -14.559 -6.247 6.279 1.00 0.00 N ATOM 769 CA ILE A 52 -15.810 -5.567 6.410 1.00 0.00 C ATOM 770 C ILE A 52 -16.178 -5.405 7.845 1.00 0.00 C ATOM 771 O ILE A 52 -16.572 -4.325 8.281 1.00 0.00 O ATOM 772 CB ILE A 52 -16.791 -6.261 5.512 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.889 -5.578 4.137 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.201 -6.311 6.123 1.00 0.00 C ATOM 775 CD1 ILE A 52 -15.684 -5.822 3.231 1.00 0.00 C ATOM 0 H ILE A 52 -14.667 -7.113 5.750 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.778 -4.532 6.070 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.412 -7.276 5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.788 -5.931 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -17.008 -4.505 4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.877 -6.822 5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.168 -6.850 7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.559 -5.296 6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -15.832 -5.307 2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.783 -5.442 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -15.575 -6.891 3.050 1.00 0.00 H new ATOM 787 N ASN A 53 -16.090 -6.430 8.712 1.00 0.00 N ATOM 788 CA ASN A 53 -16.349 -6.354 10.116 1.00 0.00 C ATOM 789 C ASN A 53 -15.399 -5.448 10.822 1.00 0.00 C ATOM 790 O ASN A 53 -15.768 -4.845 11.828 1.00 0.00 O ATOM 791 CB ASN A 53 -16.255 -7.725 10.806 1.00 0.00 C ATOM 792 CG ASN A 53 -17.550 -8.508 10.654 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.601 -7.927 10.387 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.526 -9.862 10.782 1.00 0.00 N ATOM 0 H ASN A 53 -15.822 -7.368 8.414 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.365 -5.965 10.185 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.430 -8.295 10.378 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.032 -7.588 11.864 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.383 -10.401 10.656 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.651 -10.338 11.003 1.00 0.00 H new ATOM 801 N GLU A 54 -14.147 -5.260 10.369 1.00 0.00 N ATOM 802 CA GLU A 54 -13.262 -4.374 11.060 1.00 0.00 C ATOM 803 C GLU A 54 -13.599 -2.929 10.918 1.00 0.00 C ATOM 804 O GLU A 54 -13.533 -2.096 11.820 1.00 0.00 O ATOM 805 CB GLU A 54 -11.835 -4.723 10.605 1.00 0.00 C ATOM 806 CG GLU A 54 -10.831 -3.710 11.160 1.00 0.00 C ATOM 807 CD GLU A 54 -9.364 -4.065 10.969 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.747 -4.985 11.571 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.772 -3.352 10.115 1.00 0.00 O ATOM 0 H GLU A 54 -13.753 -5.710 9.543 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.364 -4.525 12.135 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.574 -5.725 10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.787 -4.732 9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.017 -2.745 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.020 -3.585 12.226 1.00 0.00 H new ATOM 816 N VAL A 55 -14.035 -2.566 9.699 1.00 0.00 N ATOM 817 CA VAL A 55 -14.387 -1.239 9.300 1.00 0.00 C ATOM 818 C VAL A 55 -15.814 -0.899 9.560 1.00 0.00 C ATOM 819 O VAL A 55 -16.264 0.227 9.357 1.00 0.00 O ATOM 820 CB VAL A 55 -13.926 -0.731 7.966 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.401 -0.741 7.772 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.613 -1.616 6.912 1.00 0.00 C ATOM 0 H VAL A 55 -14.149 -3.243 8.945 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.753 -0.673 9.983 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.198 0.321 7.877 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.158 -0.358 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.934 -0.111 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.029 -1.761 7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.314 -1.293 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.317 -2.655 7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -15.695 -1.529 7.013 1.00 0.00 H new ATOM 832 N ASP A 56 -16.537 -1.842 10.192 1.00 0.00 N ATOM 833 CA ASP A 56 -17.927 -1.664 10.475 1.00 0.00 C ATOM 834 C ASP A 56 -18.011 -1.072 11.839 1.00 0.00 C ATOM 835 O ASP A 56 -17.474 -1.518 12.852 1.00 0.00 O ATOM 836 CB ASP A 56 -18.833 -2.905 10.407 1.00 0.00 C ATOM 837 CG ASP A 56 -20.258 -2.494 10.064 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.926 -1.789 10.866 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.716 -2.812 8.934 1.00 0.00 O ATOM 0 H ASP A 56 -16.155 -2.733 10.509 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.314 -1.031 9.676 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.456 -3.600 9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.817 -3.429 11.363 1.00 0.00 H new ATOM 844 N ALA A 57 -18.732 0.056 11.975 1.00 0.00 N ATOM 845 CA ALA A 57 -19.051 0.730 13.195 1.00 0.00 C ATOM 846 C ALA A 57 -20.189 0.100 13.922 1.00 0.00 C ATOM 847 O ALA A 57 -20.101 -0.163 15.120 1.00 0.00 O ATOM 848 CB ALA A 57 -19.415 2.205 12.958 1.00 0.00 C ATOM 0 H ALA A 57 -19.123 0.534 11.163 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.147 0.654 13.799 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.650 2.679 13.911 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.572 2.718 12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -20.281 2.265 12.299 1.00 0.00 H new ATOM 854 N ASP A 58 -21.328 -0.114 13.240 1.00 0.00 N ATOM 855 CA ASP A 58 -22.506 -0.575 13.907 1.00 0.00 C ATOM 856 C ASP A 58 -22.551 -2.037 14.190 1.00 0.00 C ATOM 857 O ASP A 58 -23.154 -2.503 15.156 1.00 0.00 O ATOM 858 CB ASP A 58 -23.698 0.096 13.203 1.00 0.00 C ATOM 859 CG ASP A 58 -23.812 -0.568 11.838 1.00 0.00 C ATOM 860 OD1 ASP A 58 -24.237 -1.754 11.828 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.469 -0.035 10.749 1.00 0.00 O ATOM 0 H ASP A 58 -21.434 0.030 12.236 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.533 -0.259 14.950 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.615 -0.036 13.778 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.537 1.169 13.102 1.00 0.00 H new ATOM 866 N GLY A 59 -21.872 -2.766 13.286 1.00 0.00 N ATOM 867 CA GLY A 59 -21.574 -4.163 13.344 1.00 0.00 C ATOM 868 C GLY A 59 -22.390 -5.127 12.554 1.00 0.00 C ATOM 869 O GLY A 59 -22.236 -6.347 12.596 1.00 0.00 O ATOM 0 H GLY A 59 -21.499 -2.337 12.439 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.536 -4.287 13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.635 -4.465 14.389 1.00 0.00 H new ATOM 873 N ASN A 60 -23.322 -4.596 11.742 1.00 0.00 N ATOM 874 CA ASN A 60 -24.226 -5.417 10.998 1.00 0.00 C ATOM 875 C ASN A 60 -23.584 -6.187 9.895 1.00 0.00 C ATOM 876 O ASN A 60 -24.330 -6.963 9.300 1.00 0.00 O ATOM 877 CB ASN A 60 -25.401 -4.581 10.463 1.00 0.00 C ATOM 878 CG ASN A 60 -25.090 -3.374 9.590 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.024 -3.133 9.026 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.195 -2.605 9.391 1.00 0.00 N ATOM 0 H ASN A 60 -23.450 -3.594 11.601 1.00 0.00 H new ATOM 0 HA ASN A 60 -24.597 -6.162 11.702 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.049 -5.246 9.892 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.978 -4.232 11.320 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -26.152 -1.805 8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.066 -2.829 9.873 1.00 0.00 H new ATOM 887 N GLY A 61 -22.337 -5.888 9.489 1.00 0.00 N ATOM 888 CA GLY A 61 -21.622 -6.550 8.442 1.00 0.00 C ATOM 889 C GLY A 61 -21.953 -6.096 7.062 1.00 0.00 C ATOM 890 O GLY A 61 -21.492 -6.654 6.068 1.00 0.00 O ATOM 0 H GLY A 61 -21.795 -5.138 9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.554 -6.408 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.816 -7.620 8.512 1.00 0.00 H new ATOM 894 N THR A 62 -22.772 -5.044 6.883 1.00 0.00 N ATOM 895 CA THR A 62 -22.924 -4.406 5.612 1.00 0.00 C ATOM 896 C THR A 62 -22.379 -3.020 5.676 1.00 0.00 C ATOM 897 O THR A 62 -22.459 -2.378 6.722 1.00 0.00 O ATOM 898 CB THR A 62 -24.304 -4.211 5.059 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.269 -3.820 6.026 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.823 -5.556 4.524 1.00 0.00 C ATOM 0 H THR A 62 -23.334 -4.632 7.627 1.00 0.00 H new ATOM 0 HA THR A 62 -22.407 -5.113 4.963 1.00 0.00 H new ATOM 0 HB THR A 62 -24.201 -3.429 4.307 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.165 -3.865 5.631 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.827 -5.424 4.120 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.159 -5.915 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.852 -6.284 5.335 1.00 0.00 H new ATOM 908 N ILE A 63 -21.882 -2.479 4.550 1.00 0.00 N ATOM 909 CA ILE A 63 -21.224 -1.214 4.440 1.00 0.00 C ATOM 910 C ILE A 63 -22.127 -0.051 4.209 1.00 0.00 C ATOM 911 O ILE A 63 -22.561 0.069 3.065 1.00 0.00 O ATOM 912 CB ILE A 63 -20.075 -1.178 3.476 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.440 -2.561 3.254 1.00 0.00 C ATOM 914 CG2 ILE A 63 -19.052 -0.058 3.728 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.398 -2.498 2.138 1.00 0.00 C ATOM 0 H ILE A 63 -21.945 -2.961 3.653 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.807 -1.103 5.441 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.524 -0.898 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.973 -2.906 4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.213 -3.286 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.260 -0.114 2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.548 0.910 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.622 -0.175 4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.959 -3.485 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.875 -2.175 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.616 -1.789 2.410 1.00 0.00 H new ATOM 927 N ASP A 64 -22.207 0.785 5.259 1.00 0.00 N ATOM 928 CA ASP A 64 -22.857 2.059 5.258 1.00 0.00 C ATOM 929 C ASP A 64 -22.012 3.074 4.569 1.00 0.00 C ATOM 930 O ASP A 64 -20.794 2.918 4.501 1.00 0.00 O ATOM 931 CB ASP A 64 -23.399 2.589 6.596 1.00 0.00 C ATOM 932 CG ASP A 64 -24.283 1.536 7.249 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.801 0.415 7.564 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.432 1.926 7.589 1.00 0.00 O ATOM 0 H ASP A 64 -21.793 0.558 6.163 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.774 1.874 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.572 2.844 7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.969 3.504 6.431 1.00 0.00 H new ATOM 939 N PHE A 65 -22.589 4.157 4.017 1.00 0.00 N ATOM 940 CA PHE A 65 -21.772 5.191 3.460 1.00 0.00 C ATOM 941 C PHE A 65 -20.695 5.822 4.274 1.00 0.00 C ATOM 942 O PHE A 65 -19.599 5.962 3.734 1.00 0.00 O ATOM 943 CB PHE A 65 -22.649 6.252 2.775 1.00 0.00 C ATOM 944 CG PHE A 65 -21.980 7.428 2.149 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.347 7.202 0.950 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.058 8.734 2.572 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.547 8.113 0.302 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.323 9.683 1.900 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.578 9.402 0.779 1.00 0.00 C ATOM 0 H PHE A 65 -23.595 4.316 3.956 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.167 4.626 2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.233 5.752 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.356 6.627 3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.488 6.239 0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.681 9.008 3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.928 7.831 -0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.332 10.697 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.025 10.184 0.280 1.00 0.00 H new ATOM 959 N PRO A 66 -20.816 6.061 5.546 1.00 0.00 N ATOM 960 CA PRO A 66 -19.673 6.627 6.200 1.00 0.00 C ATOM 961 C PRO A 66 -18.548 5.707 6.528 1.00 0.00 C ATOM 962 O PRO A 66 -17.455 6.166 6.857 1.00 0.00 O ATOM 963 CB PRO A 66 -20.215 7.179 7.516 1.00 0.00 C ATOM 964 CG PRO A 66 -21.638 7.585 7.099 1.00 0.00 C ATOM 965 CD PRO A 66 -22.081 6.475 6.132 1.00 0.00 C ATOM 0 HA PRO A 66 -19.234 7.346 5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.215 6.431 8.308 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.634 8.027 7.878 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.302 7.650 7.961 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.647 8.562 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.577 5.655 6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.778 6.844 5.379 1.00 0.00 H new ATOM 973 N GLU A 67 -18.811 4.391 6.439 1.00 0.00 N ATOM 974 CA GLU A 67 -17.874 3.318 6.572 1.00 0.00 C ATOM 975 C GLU A 67 -17.363 3.104 5.188 1.00 0.00 C ATOM 976 O GLU A 67 -16.219 2.693 5.001 1.00 0.00 O ATOM 977 CB GLU A 67 -18.458 2.023 7.162 1.00 0.00 C ATOM 978 CG GLU A 67 -19.495 2.180 8.276 1.00 0.00 C ATOM 979 CD GLU A 67 -20.432 1.039 8.648 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.939 0.395 7.691 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.673 0.730 9.845 1.00 0.00 O ATOM 0 H GLU A 67 -19.756 4.051 6.259 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.097 3.583 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.914 1.455 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.634 1.423 7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.952 2.453 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.121 3.032 8.010 1.00 0.00 H new ATOM 988 N PHE A 68 -18.058 3.387 4.072 1.00 0.00 N ATOM 989 CA PHE A 68 -17.422 3.483 2.795 1.00 0.00 C ATOM 990 C PHE A 68 -16.460 4.606 2.617 1.00 0.00 C ATOM 991 O PHE A 68 -15.420 4.470 1.974 1.00 0.00 O ATOM 992 CB PHE A 68 -18.504 3.562 1.706 1.00 0.00 C ATOM 993 CG PHE A 68 -17.941 3.381 0.338 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.791 2.150 -0.255 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.677 4.542 -0.349 1.00 0.00 C ATOM 996 CE1 PHE A 68 -17.294 2.061 -1.534 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.257 4.451 -1.655 1.00 0.00 C ATOM 998 CZ PHE A 68 -17.056 3.220 -2.234 1.00 0.00 C ATOM 0 H PHE A 68 -19.065 3.550 4.054 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.810 2.584 2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.259 2.798 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -19.007 4.527 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -18.063 1.254 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.797 5.504 0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -17.094 1.098 -1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.084 5.350 -2.228 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.706 3.163 -3.254 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.675 5.782 3.234 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.675 6.805 3.261 1.00 0.00 C ATOM 1010 C LEU A 69 -14.449 6.337 3.967 1.00 0.00 C ATOM 1011 O LEU A 69 -13.342 6.561 3.481 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.147 8.097 3.950 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.283 8.689 3.098 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.910 9.845 3.895 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.817 9.253 1.745 1.00 0.00 C ATOM 0 H LEU A 69 -17.541 6.025 3.714 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.463 7.024 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.496 7.887 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.324 8.807 4.038 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.982 7.880 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.721 10.288 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.302 9.466 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.152 10.602 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.674 9.652 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.091 10.049 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.355 8.458 1.159 1.00 0.00 H new ATOM 1027 N THR A 70 -14.564 5.545 5.048 1.00 0.00 N ATOM 1028 CA THR A 70 -13.500 4.911 5.763 1.00 0.00 C ATOM 1029 C THR A 70 -12.799 3.895 4.929 1.00 0.00 C ATOM 1030 O THR A 70 -11.579 3.906 4.776 1.00 0.00 O ATOM 1031 CB THR A 70 -13.897 4.308 7.078 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.548 5.291 7.869 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.632 3.864 7.831 1.00 0.00 C ATOM 0 H THR A 70 -15.475 5.332 5.453 1.00 0.00 H new ATOM 0 HA THR A 70 -12.815 5.726 5.996 1.00 0.00 H new ATOM 0 HB THR A 70 -14.559 3.460 6.899 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.418 5.506 7.473 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.914 3.425 8.788 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.095 3.125 7.236 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.989 4.727 8.003 1.00 0.00 H new ATOM 1041 N MET A 71 -13.525 2.986 4.254 1.00 0.00 N ATOM 1042 CA MET A 71 -13.107 1.971 3.338 1.00 0.00 C ATOM 1043 C MET A 71 -12.304 2.550 2.224 1.00 0.00 C ATOM 1044 O MET A 71 -11.211 2.121 1.858 1.00 0.00 O ATOM 1045 CB MET A 71 -14.288 1.194 2.731 1.00 0.00 C ATOM 1046 CG MET A 71 -13.882 -0.047 1.934 1.00 0.00 C ATOM 1047 SD MET A 71 -13.191 -1.315 3.039 1.00 0.00 S ATOM 1048 CE MET A 71 -14.043 -2.620 2.106 1.00 0.00 C ATOM 0 H MET A 71 -14.538 2.965 4.370 1.00 0.00 H new ATOM 0 HA MET A 71 -12.500 1.280 3.922 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.960 0.892 3.534 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.851 1.862 2.079 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.748 -0.448 1.407 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.146 0.224 1.177 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.721 -3.596 2.469 1.00 0.00 H new ATOM 0 HE2 MET A 71 -15.120 -2.519 2.240 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.799 -2.529 1.047 1.00 0.00 H new ATOM 1058 N MET A 72 -12.907 3.562 1.575 1.00 0.00 N ATOM 1059 CA MET A 72 -12.257 4.145 0.442 1.00 0.00 C ATOM 1060 C MET A 72 -11.046 4.936 0.798 1.00 0.00 C ATOM 1061 O MET A 72 -9.971 4.824 0.210 1.00 0.00 O ATOM 1062 CB MET A 72 -13.179 5.020 -0.424 1.00 0.00 C ATOM 1063 CG MET A 72 -12.671 5.182 -1.858 1.00 0.00 C ATOM 1064 SD MET A 72 -12.210 3.680 -2.773 1.00 0.00 S ATOM 1065 CE MET A 72 -11.940 4.715 -4.240 1.00 0.00 C ATOM 0 H MET A 72 -13.811 3.965 1.822 1.00 0.00 H new ATOM 0 HA MET A 72 -11.955 3.277 -0.145 1.00 0.00 H new ATOM 0 HB2 MET A 72 -14.176 4.579 -0.445 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.275 6.004 0.036 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.442 5.698 -2.430 1.00 0.00 H new ATOM 0 HG3 MET A 72 -11.801 5.838 -1.832 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.439 4.130 -5.011 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.900 5.067 -4.618 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.319 5.570 -3.973 1.00 0.00 H new ATOM 1075 N ALA A 73 -11.074 5.605 1.964 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.932 6.201 2.586 1.00 0.00 C ATOM 1077 C ALA A 73 -8.767 5.318 2.877 1.00 0.00 C ATOM 1078 O ALA A 73 -7.619 5.629 2.563 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.395 6.973 3.833 1.00 0.00 C ATOM 0 H ALA A 73 -11.933 5.737 2.498 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.513 6.869 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.533 7.433 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.103 7.748 3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.878 6.286 4.528 1.00 0.00 H new ATOM 1234 N GLU A 83 2.859 1.772 -4.156 1.00 0.00 N ATOM 1235 CA GLU A 83 4.009 2.291 -4.829 1.00 0.00 C ATOM 1236 C GLU A 83 5.220 2.453 -3.977 1.00 0.00 C ATOM 1237 O GLU A 83 6.340 2.197 -4.416 1.00 0.00 O ATOM 1238 CB GLU A 83 3.606 3.582 -5.561 1.00 0.00 C ATOM 1239 CG GLU A 83 4.581 4.055 -6.641 1.00 0.00 C ATOM 1240 CD GLU A 83 4.629 3.224 -7.915 1.00 0.00 C ATOM 1241 OE1 GLU A 83 5.396 2.231 -8.036 1.00 0.00 O ATOM 1242 OE2 GLU A 83 3.954 3.602 -8.910 1.00 0.00 O ATOM 0 HA GLU A 83 4.333 1.543 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.629 3.430 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.493 4.377 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.323 5.079 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.582 4.081 -6.211 1.00 0.00 H new ATOM 1249 N GLU A 84 5.083 2.906 -2.718 1.00 0.00 N ATOM 1250 CA GLU A 84 6.183 2.974 -1.806 1.00 0.00 C ATOM 1251 C GLU A 84 6.804 1.673 -1.430 1.00 0.00 C ATOM 1252 O GLU A 84 8.028 1.561 -1.468 1.00 0.00 O ATOM 1253 CB GLU A 84 5.777 3.809 -0.580 1.00 0.00 C ATOM 1254 CG GLU A 84 5.549 5.253 -1.033 1.00 0.00 C ATOM 1255 CD GLU A 84 5.642 6.167 0.180 1.00 0.00 C ATOM 1256 OE1 GLU A 84 6.781 6.449 0.638 1.00 0.00 O ATOM 1257 OE2 GLU A 84 4.566 6.646 0.629 1.00 0.00 O ATOM 0 H GLU A 84 4.198 3.229 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 84 6.990 3.469 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.870 3.405 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.556 3.769 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.293 5.537 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.572 5.351 -1.505 1.00 0.00 H new ATOM 1264 N ILE A 85 6.003 0.639 -1.114 1.00 0.00 N ATOM 1265 CA ILE A 85 6.388 -0.726 -0.932 1.00 0.00 C ATOM 1266 C ILE A 85 6.832 -1.385 -2.192 1.00 0.00 C ATOM 1267 O ILE A 85 7.709 -2.245 -2.128 1.00 0.00 O ATOM 1268 CB ILE A 85 5.437 -1.626 -0.199 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.191 -2.138 -0.942 1.00 0.00 C ATOM 1270 CG2 ILE A 85 5.111 -0.854 1.090 1.00 0.00 C ATOM 1271 CD1 ILE A 85 2.938 -2.537 -0.164 1.00 0.00 C ATOM 0 H ILE A 85 5.001 0.772 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 85 7.233 -0.604 -0.255 1.00 0.00 H new ATOM 0 HB ILE A 85 5.922 -2.588 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.897 -1.364 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.498 -3.006 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.417 -1.436 1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.028 -0.681 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.656 0.103 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.169 -2.871 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.180 -3.346 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.570 -1.679 0.399 1.00 0.00 H new ATOM 1283 N ARG A 86 6.356 -0.998 -3.389 1.00 0.00 N ATOM 1284 CA ARG A 86 6.905 -1.410 -4.644 1.00 0.00 C ATOM 1285 C ARG A 86 8.298 -0.949 -4.905 1.00 0.00 C ATOM 1286 O ARG A 86 9.098 -1.759 -5.371 1.00 0.00 O ATOM 1287 CB ARG A 86 5.935 -1.081 -5.792 1.00 0.00 C ATOM 1288 CG ARG A 86 6.452 -1.606 -7.133 1.00 0.00 C ATOM 1289 CD ARG A 86 5.447 -1.677 -8.285 1.00 0.00 C ATOM 1290 NE ARG A 86 4.838 -0.377 -8.682 1.00 0.00 N ATOM 1291 CZ ARG A 86 3.759 -0.359 -9.518 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.286 -1.486 -10.127 1.00 0.00 N ATOM 1293 NH2 ARG A 86 3.152 0.829 -9.806 1.00 0.00 N ATOM 0 H ARG A 86 5.556 -0.373 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 86 7.011 -2.493 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.959 -1.518 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.795 -0.002 -5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.283 -0.974 -7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.855 -2.606 -6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.946 -2.106 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.648 -2.363 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 86 5.226 0.498 -8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.742 -2.384 -9.964 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.477 -1.430 -10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.505 1.694 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.345 0.851 -10.430 1.00 0.00 H new ATOM 1307 N GLU A 87 8.600 0.341 -4.677 1.00 0.00 N ATOM 1308 CA GLU A 87 9.970 0.698 -4.882 1.00 0.00 C ATOM 1309 C GLU A 87 10.789 0.173 -3.753 1.00 0.00 C ATOM 1310 O GLU A 87 11.910 -0.279 -3.979 1.00 0.00 O ATOM 1311 CB GLU A 87 10.232 2.198 -5.103 1.00 0.00 C ATOM 1312 CG GLU A 87 11.609 2.533 -5.680 1.00 0.00 C ATOM 1313 CD GLU A 87 11.766 4.020 -5.962 1.00 0.00 C ATOM 1314 OE1 GLU A 87 10.809 4.792 -5.688 1.00 0.00 O ATOM 1315 OE2 GLU A 87 12.888 4.466 -6.322 1.00 0.00 O ATOM 0 H GLU A 87 7.963 1.079 -4.378 1.00 0.00 H new ATOM 0 HA GLU A 87 10.266 0.234 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.468 2.591 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.117 2.716 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.382 2.214 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.761 1.972 -6.602 1.00 0.00 H new ATOM 1322 N ALA A 88 10.293 -0.031 -2.520 1.00 0.00 N ATOM 1323 CA ALA A 88 10.983 -0.701 -1.461 1.00 0.00 C ATOM 1324 C ALA A 88 11.306 -2.087 -1.899 1.00 0.00 C ATOM 1325 O ALA A 88 12.388 -2.605 -1.625 1.00 0.00 O ATOM 1326 CB ALA A 88 10.232 -0.726 -0.119 1.00 0.00 C ATOM 0 H ALA A 88 9.363 0.288 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 88 11.888 -0.126 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.831 -1.254 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.055 0.295 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.278 -1.237 -0.246 1.00 0.00 H new ATOM 1332 N PHE A 89 10.502 -2.821 -2.689 1.00 0.00 N ATOM 1333 CA PHE A 89 10.758 -4.156 -3.134 1.00 0.00 C ATOM 1334 C PHE A 89 11.946 -4.279 -4.025 1.00 0.00 C ATOM 1335 O PHE A 89 12.806 -5.122 -3.773 1.00 0.00 O ATOM 1336 CB PHE A 89 9.514 -4.606 -3.918 1.00 0.00 C ATOM 1337 CG PHE A 89 9.524 -6.068 -4.209 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.368 -7.051 -3.261 1.00 0.00 C ATOM 1339 CD2 PHE A 89 9.533 -6.479 -5.521 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.389 -8.379 -3.615 1.00 0.00 C ATOM 1341 CE2 PHE A 89 9.529 -7.799 -5.908 1.00 0.00 C ATOM 1342 CZ PHE A 89 9.464 -8.766 -4.933 1.00 0.00 C ATOM 0 H PHE A 89 9.616 -2.458 -3.039 1.00 0.00 H new ATOM 0 HA PHE A 89 10.968 -4.770 -2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.619 -4.358 -3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.458 -4.052 -4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.227 -6.777 -2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.544 -5.722 -6.292 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.346 -9.133 -2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 89 9.576 -8.069 -6.953 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.472 -9.813 -5.198 1.00 0.00 H new ATOM 1352 N ARG A 90 12.086 -3.312 -4.948 1.00 0.00 N ATOM 1353 CA ARG A 90 13.176 -3.158 -5.862 1.00 0.00 C ATOM 1354 C ARG A 90 14.438 -2.660 -5.248 1.00 0.00 C ATOM 1355 O ARG A 90 15.544 -2.967 -5.692 1.00 0.00 O ATOM 1356 CB ARG A 90 12.695 -2.302 -7.046 1.00 0.00 C ATOM 1357 CG ARG A 90 13.641 -2.241 -8.246 1.00 0.00 C ATOM 1358 CD ARG A 90 13.169 -1.502 -9.500 1.00 0.00 C ATOM 1359 NE ARG A 90 12.008 -2.374 -9.835 1.00 0.00 N ATOM 1360 CZ ARG A 90 11.037 -2.154 -10.769 1.00 0.00 C ATOM 1361 NH1 ARG A 90 10.970 -0.906 -11.319 1.00 0.00 N ATOM 1362 NH2 ARG A 90 10.200 -3.131 -11.223 1.00 0.00 N ATOM 0 H ARG A 90 11.383 -2.582 -5.064 1.00 0.00 H new ATOM 0 HA ARG A 90 13.463 -4.148 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.734 -2.689 -7.384 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.523 -1.286 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.570 -1.776 -7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.882 -3.265 -8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.881 -0.470 -9.301 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.923 -1.477 -10.287 1.00 0.00 H new ATOM 0 HE ARG A 90 11.929 -3.240 -9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.629 -0.184 -11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.261 -0.695 -12.021 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.283 -4.082 -10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.491 -2.911 -11.923 1.00 0.00 H new ATOM 1376 N VAL A 91 14.305 -1.992 -4.089 1.00 0.00 N ATOM 1377 CA VAL A 91 15.367 -1.604 -3.213 1.00 0.00 C ATOM 1378 C VAL A 91 15.801 -2.795 -2.429 1.00 0.00 C ATOM 1379 O VAL A 91 16.998 -3.010 -2.244 1.00 0.00 O ATOM 1380 CB VAL A 91 14.855 -0.553 -2.274 1.00 0.00 C ATOM 1381 CG1 VAL A 91 15.870 -0.264 -1.156 1.00 0.00 C ATOM 1382 CG2 VAL A 91 14.530 0.811 -2.908 1.00 0.00 C ATOM 0 H VAL A 91 13.391 -1.703 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 91 16.208 -1.212 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 91 13.926 -0.992 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.471 0.502 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.056 -1.176 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.804 0.087 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.168 1.493 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.430 1.223 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.761 0.684 -3.670 1.00 0.00 H new ATOM 1392 N PHE A 92 14.881 -3.596 -1.861 1.00 0.00 N ATOM 1393 CA PHE A 92 15.092 -4.536 -0.804 1.00 0.00 C ATOM 1394 C PHE A 92 15.613 -5.793 -1.411 1.00 0.00 C ATOM 1395 O PHE A 92 16.356 -6.508 -0.740 1.00 0.00 O ATOM 1396 CB PHE A 92 13.807 -4.866 -0.026 1.00 0.00 C ATOM 1397 CG PHE A 92 13.402 -3.816 0.950 1.00 0.00 C ATOM 1398 CD1 PHE A 92 14.087 -2.685 1.328 1.00 0.00 C ATOM 1399 CD2 PHE A 92 12.182 -4.150 1.490 1.00 0.00 C ATOM 1400 CE1 PHE A 92 13.573 -1.911 2.341 1.00 0.00 C ATOM 1401 CE2 PHE A 92 11.769 -3.433 2.589 1.00 0.00 C ATOM 1402 CZ PHE A 92 12.422 -2.291 2.990 1.00 0.00 C ATOM 0 H PHE A 92 13.909 -3.583 -2.169 1.00 0.00 H new ATOM 0 HA PHE A 92 15.792 -4.093 -0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.994 -5.020 -0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.948 -5.807 0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.010 -2.411 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.576 -4.939 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.076 -1.000 2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.912 -3.775 3.150 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.035 -1.699 3.806 1.00 0.00 H new ATOM 1412 N ASP A 93 15.443 -6.112 -2.706 1.00 0.00 N ATOM 1413 CA ASP A 93 16.029 -7.177 -3.459 1.00 0.00 C ATOM 1414 C ASP A 93 17.441 -6.751 -3.668 1.00 0.00 C ATOM 1415 O ASP A 93 17.732 -5.679 -4.196 1.00 0.00 O ATOM 1416 CB ASP A 93 15.204 -7.296 -4.752 1.00 0.00 C ATOM 1417 CG ASP A 93 15.503 -8.594 -5.488 1.00 0.00 C ATOM 1418 OD1 ASP A 93 16.363 -9.396 -5.035 1.00 0.00 O ATOM 1419 OD2 ASP A 93 14.770 -8.874 -6.474 1.00 0.00 O ATOM 0 H ASP A 93 14.820 -5.555 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 93 16.027 -8.161 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 93 14.142 -7.249 -4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.422 -6.449 -5.403 1.00 0.00 H new ATOM 1424 N LYS A 94 18.424 -7.441 -3.061 1.00 0.00 N ATOM 1425 CA LYS A 94 19.806 -7.089 -2.958 1.00 0.00 C ATOM 1426 C LYS A 94 20.584 -7.163 -4.226 1.00 0.00 C ATOM 1427 O LYS A 94 21.361 -6.293 -4.616 1.00 0.00 O ATOM 1428 CB LYS A 94 20.337 -7.936 -1.789 1.00 0.00 C ATOM 1429 CG LYS A 94 21.860 -7.865 -1.657 1.00 0.00 C ATOM 1430 CD LYS A 94 22.507 -8.451 -0.400 1.00 0.00 C ATOM 1431 CE LYS A 94 23.933 -7.931 -0.208 1.00 0.00 C ATOM 1432 NZ LYS A 94 24.785 -7.853 -1.416 1.00 0.00 N ATOM 0 H LYS A 94 18.230 -8.329 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 94 19.930 -6.026 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.879 -7.595 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.036 -8.974 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.293 -8.371 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 94 22.151 -6.817 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.905 -8.196 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.522 -9.539 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.875 -6.935 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 94 24.433 -8.571 0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 25.752 -7.585 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 24.803 -8.779 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 24.399 -7.140 -2.067 1.00 0.00 H new ATOM 1446 N ASP A 95 20.428 -8.273 -4.969 1.00 0.00 N ATOM 1447 CA ASP A 95 20.962 -8.479 -6.280 1.00 0.00 C ATOM 1448 C ASP A 95 20.001 -7.953 -7.290 1.00 0.00 C ATOM 1449 O ASP A 95 20.318 -6.972 -7.961 1.00 0.00 O ATOM 1450 CB ASP A 95 21.259 -9.957 -6.588 1.00 0.00 C ATOM 1451 CG ASP A 95 20.131 -10.952 -6.357 1.00 0.00 C ATOM 1452 OD1 ASP A 95 19.055 -10.633 -5.784 1.00 0.00 O ATOM 1453 OD2 ASP A 95 20.395 -12.178 -6.479 1.00 0.00 O ATOM 0 H ASP A 95 19.896 -9.076 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 95 21.912 -7.946 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 95 21.567 -10.030 -7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 95 22.111 -10.265 -5.982 1.00 0.00 H new ATOM 1458 N GLY A 96 18.758 -8.457 -7.395 1.00 0.00 N ATOM 1459 CA GLY A 96 17.679 -7.961 -8.192 1.00 0.00 C ATOM 1460 C GLY A 96 17.288 -9.029 -9.155 1.00 0.00 C ATOM 1461 O GLY A 96 17.710 -8.971 -10.309 1.00 0.00 O ATOM 0 H GLY A 96 18.485 -9.289 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.833 -7.689 -7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.982 -7.060 -8.725 1.00 0.00 H new ATOM 1465 N ASN A 97 16.546 -10.064 -8.724 1.00 0.00 N ATOM 1466 CA ASN A 97 16.037 -11.080 -9.592 1.00 0.00 C ATOM 1467 C ASN A 97 14.551 -11.142 -9.496 1.00 0.00 C ATOM 1468 O ASN A 97 13.985 -12.100 -10.020 1.00 0.00 O ATOM 1469 CB ASN A 97 16.691 -12.422 -9.220 1.00 0.00 C ATOM 1470 CG ASN A 97 16.324 -12.991 -7.857 1.00 0.00 C ATOM 1471 OD1 ASN A 97 16.521 -12.437 -6.776 1.00 0.00 O ATOM 1472 ND2 ASN A 97 15.794 -14.242 -7.920 1.00 0.00 N ATOM 0 H ASN A 97 16.293 -10.198 -7.745 1.00 0.00 H new ATOM 0 HA ASN A 97 16.282 -10.849 -10.629 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.425 -13.156 -9.981 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.773 -12.299 -9.260 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.552 -14.737 -7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.638 -14.685 -8.826 1.00 0.00 H new ATOM 1479 N GLY A 98 13.799 -10.147 -8.992 1.00 0.00 N ATOM 1480 CA GLY A 98 12.379 -10.111 -8.822 1.00 0.00 C ATOM 1481 C GLY A 98 11.864 -10.512 -7.483 1.00 0.00 C ATOM 1482 O GLY A 98 10.648 -10.585 -7.307 1.00 0.00 O ATOM 0 H GLY A 98 14.232 -9.281 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.035 -9.098 -9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.928 -10.762 -9.571 1.00 0.00 H new ATOM 1486 N TYR A 99 12.725 -10.935 -6.540 1.00 0.00 N ATOM 1487 CA TYR A 99 12.380 -11.626 -5.337 1.00 0.00 C ATOM 1488 C TYR A 99 13.236 -11.298 -4.162 1.00 0.00 C ATOM 1489 O TYR A 99 14.457 -11.251 -4.303 1.00 0.00 O ATOM 1490 CB TYR A 99 12.608 -13.129 -5.568 1.00 0.00 C ATOM 1491 CG TYR A 99 11.742 -13.727 -6.622 1.00 0.00 C ATOM 1492 CD1 TYR A 99 10.502 -14.232 -6.308 1.00 0.00 C ATOM 1493 CD2 TYR A 99 12.243 -13.974 -7.879 1.00 0.00 C ATOM 1494 CE1 TYR A 99 9.664 -14.759 -7.262 1.00 0.00 C ATOM 1495 CE2 TYR A 99 11.419 -14.484 -8.854 1.00 0.00 C ATOM 1496 CZ TYR A 99 10.123 -14.836 -8.556 1.00 0.00 C ATOM 1497 OH TYR A 99 9.364 -15.403 -9.601 1.00 0.00 O ATOM 0 H TYR A 99 13.730 -10.783 -6.625 1.00 0.00 H new ATOM 0 HA TYR A 99 11.352 -11.334 -5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 99 13.652 -13.289 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.437 -13.658 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.176 -14.214 -5.279 1.00 0.00 H new ATOM 0 HD2 TYR A 99 13.280 -13.768 -8.099 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.674 -15.103 -7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.791 -14.609 -9.860 1.00 0.00 H new ATOM 0 HH TYR A 99 9.873 -15.357 -10.437 1.00 0.00 H new ATOM 1507 N ILE A 100 12.717 -11.178 -2.927 1.00 0.00 N ATOM 1508 CA ILE A 100 13.449 -11.049 -1.705 1.00 0.00 C ATOM 1509 C ILE A 100 13.424 -12.445 -1.186 1.00 0.00 C ATOM 1510 O ILE A 100 12.348 -13.007 -0.988 1.00 0.00 O ATOM 1511 CB ILE A 100 12.888 -10.086 -0.700 1.00 0.00 C ATOM 1512 CG1 ILE A 100 12.351 -8.752 -1.243 1.00 0.00 C ATOM 1513 CG2 ILE A 100 14.070 -9.886 0.264 1.00 0.00 C ATOM 1514 CD1 ILE A 100 11.562 -7.948 -0.211 1.00 0.00 C ATOM 0 H ILE A 100 11.709 -11.171 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 100 14.438 -10.626 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 100 11.983 -10.492 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 100 13.187 -8.150 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.712 -8.950 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 100 13.782 -9.193 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 100 14.346 -10.844 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 100 14.921 -9.479 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.213 -7.019 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 100 10.705 -8.531 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 100 12.204 -7.719 0.640 1.00 0.00 H new ATOM 1526 N SER A 101 14.566 -13.138 -1.027 1.00 0.00 N ATOM 1527 CA SER A 101 14.617 -14.390 -0.339 1.00 0.00 C ATOM 1528 C SER A 101 14.501 -14.174 1.130 1.00 0.00 C ATOM 1529 O SER A 101 14.672 -13.069 1.645 1.00 0.00 O ATOM 1530 CB SER A 101 15.799 -15.299 -0.717 1.00 0.00 C ATOM 1531 OG SER A 101 17.045 -14.636 -0.567 1.00 0.00 O ATOM 0 H SER A 101 15.469 -12.823 -1.382 1.00 0.00 H new ATOM 0 HA SER A 101 13.752 -14.958 -0.682 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.785 -16.192 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.686 -15.631 -1.749 1.00 0.00 H new ATOM 0 HG SER A 101 17.087 -13.875 -1.183 1.00 0.00 H new ATOM 1537 N ALA A 102 14.143 -15.202 1.921 1.00 0.00 N ATOM 1538 CA ALA A 102 14.139 -15.156 3.350 1.00 0.00 C ATOM 1539 C ALA A 102 15.430 -14.684 3.924 1.00 0.00 C ATOM 1540 O ALA A 102 15.473 -13.783 4.760 1.00 0.00 O ATOM 1541 CB ALA A 102 13.810 -16.598 3.771 1.00 0.00 C ATOM 0 H ALA A 102 13.844 -16.103 1.548 1.00 0.00 H new ATOM 0 HA ALA A 102 13.414 -14.434 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.785 -16.663 4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.838 -16.882 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 102 14.574 -17.273 3.385 1.00 0.00 H new ATOM 1547 N ALA A 103 16.559 -15.127 3.343 1.00 0.00 N ATOM 1548 CA ALA A 103 17.854 -14.630 3.693 1.00 0.00 C ATOM 1549 C ALA A 103 18.228 -13.217 3.408 1.00 0.00 C ATOM 1550 O ALA A 103 18.748 -12.472 4.236 1.00 0.00 O ATOM 1551 CB ALA A 103 18.862 -15.607 3.065 1.00 0.00 C ATOM 0 H ALA A 103 16.573 -15.843 2.617 1.00 0.00 H new ATOM 0 HA ALA A 103 17.852 -14.586 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 103 19.876 -15.282 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 103 18.700 -16.606 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 103 18.725 -15.626 1.984 1.00 0.00 H new ATOM 1557 N GLU A 104 17.849 -12.712 2.220 1.00 0.00 N ATOM 1558 CA GLU A 104 17.719 -11.305 2.000 1.00 0.00 C ATOM 1559 C GLU A 104 16.783 -10.541 2.872 1.00 0.00 C ATOM 1560 O GLU A 104 17.216 -9.546 3.451 1.00 0.00 O ATOM 1561 CB GLU A 104 17.341 -10.898 0.566 1.00 0.00 C ATOM 1562 CG GLU A 104 18.422 -11.289 -0.445 1.00 0.00 C ATOM 1563 CD GLU A 104 17.903 -11.163 -1.870 1.00 0.00 C ATOM 1564 OE1 GLU A 104 17.071 -12.070 -2.141 1.00 0.00 O ATOM 1565 OE2 GLU A 104 18.263 -10.284 -2.699 1.00 0.00 O ATOM 0 H GLU A 104 17.631 -13.285 1.405 1.00 0.00 H new ATOM 0 HA GLU A 104 18.744 -11.035 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 104 16.399 -11.372 0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.179 -9.821 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.296 -10.651 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.745 -12.314 -0.260 1.00 0.00 H new ATOM 1572 N LEU A 105 15.529 -10.962 3.117 1.00 0.00 N ATOM 1573 CA LEU A 105 14.586 -10.352 4.001 1.00 0.00 C ATOM 1574 C LEU A 105 15.093 -10.205 5.395 1.00 0.00 C ATOM 1575 O LEU A 105 14.799 -9.220 6.070 1.00 0.00 O ATOM 1576 CB LEU A 105 13.263 -11.136 3.954 1.00 0.00 C ATOM 1577 CG LEU A 105 12.023 -10.388 4.473 1.00 0.00 C ATOM 1578 CD1 LEU A 105 11.435 -9.477 3.382 1.00 0.00 C ATOM 1579 CD2 LEU A 105 11.024 -11.462 4.936 1.00 0.00 C ATOM 0 H LEU A 105 15.148 -11.791 2.662 1.00 0.00 H new ATOM 0 HA LEU A 105 14.416 -9.333 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.077 -11.437 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.383 -12.050 4.536 1.00 0.00 H new ATOM 0 HG LEU A 105 12.274 -9.728 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.559 -8.959 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.183 -8.745 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.145 -10.080 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 105 10.122 -10.981 5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.766 -12.105 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 105 11.475 -12.062 5.727 1.00 0.00 H new ATOM 1591 N ARG A 106 15.907 -11.144 5.909 1.00 0.00 N ATOM 1592 CA ARG A 106 16.452 -11.068 7.229 1.00 0.00 C ATOM 1593 C ARG A 106 17.346 -9.899 7.460 1.00 0.00 C ATOM 1594 O ARG A 106 17.222 -9.166 8.440 1.00 0.00 O ATOM 1595 CB ARG A 106 17.101 -12.426 7.548 1.00 0.00 C ATOM 1596 CG ARG A 106 17.778 -12.545 8.914 1.00 0.00 C ATOM 1597 CD ARG A 106 18.334 -13.912 9.316 1.00 0.00 C ATOM 1598 NE ARG A 106 18.694 -13.884 10.761 1.00 0.00 N ATOM 1599 CZ ARG A 106 18.569 -14.893 11.672 1.00 0.00 C ATOM 1600 NH1 ARG A 106 18.009 -16.107 11.395 1.00 0.00 N ATOM 1601 NH2 ARG A 106 18.838 -14.651 12.988 1.00 0.00 N ATOM 0 H ARG A 106 16.194 -11.977 5.394 1.00 0.00 H new ATOM 0 HA ARG A 106 15.644 -10.878 7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 106 16.334 -13.198 7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 106 17.842 -12.641 6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 106 18.598 -11.827 8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 106 17.058 -12.240 9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 106 17.594 -14.690 9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 106 19.210 -14.154 8.714 1.00 0.00 H new ATOM 0 HE ARG A 106 19.080 -13.007 11.111 1.00 0.00 H new ATOM 0 HH11 ARG A 106 17.653 -16.303 10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.947 -16.818 12.124 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.131 -13.720 13.286 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.746 -15.401 13.674 1.00 0.00 H new ATOM 1615 N HIS A 107 18.310 -9.822 6.525 1.00 0.00 N ATOM 1616 CA HIS A 107 19.318 -8.807 6.544 1.00 0.00 C ATOM 1617 C HIS A 107 18.705 -7.468 6.321 1.00 0.00 C ATOM 1618 O HIS A 107 19.033 -6.506 7.014 1.00 0.00 O ATOM 1619 CB HIS A 107 20.454 -9.179 5.577 1.00 0.00 C ATOM 1620 CG HIS A 107 21.640 -8.260 5.554 1.00 0.00 C ATOM 1621 ND1 HIS A 107 22.268 -7.891 6.726 1.00 0.00 N ATOM 1622 CD2 HIS A 107 22.221 -7.511 4.579 1.00 0.00 C ATOM 1623 CE1 HIS A 107 23.264 -7.038 6.368 1.00 0.00 C ATOM 1624 NE2 HIS A 107 23.253 -6.744 5.081 1.00 0.00 N ATOM 0 H HIS A 107 18.391 -10.474 5.744 1.00 0.00 H new ATOM 0 HA HIS A 107 19.786 -8.742 7.526 1.00 0.00 H new ATOM 0 HB2 HIS A 107 20.803 -10.180 5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 107 20.042 -9.230 4.569 1.00 0.00 H new ATOM 0 HD2 HIS A 107 21.914 -7.516 3.544 1.00 0.00 H new ATOM 0 HE1 HIS A 107 23.989 -6.642 7.064 1.00 0.00 H new ATOM 0 HE2 HIS A 107 23.863 -6.101 4.576 1.00 0.00 H new ATOM 1632 N VAL A 108 17.786 -7.294 5.354 1.00 0.00 N ATOM 1633 CA VAL A 108 17.150 -6.027 5.166 1.00 0.00 C ATOM 1634 C VAL A 108 16.342 -5.515 6.308 1.00 0.00 C ATOM 1635 O VAL A 108 16.389 -4.316 6.580 1.00 0.00 O ATOM 1636 CB VAL A 108 16.209 -6.317 4.035 1.00 0.00 C ATOM 1637 CG1 VAL A 108 15.397 -5.068 3.656 1.00 0.00 C ATOM 1638 CG2 VAL A 108 17.005 -6.622 2.755 1.00 0.00 C ATOM 0 H VAL A 108 17.485 -8.024 4.708 1.00 0.00 H new ATOM 0 HA VAL A 108 17.908 -5.258 5.016 1.00 0.00 H new ATOM 0 HB VAL A 108 15.579 -7.142 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.723 -5.308 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 108 14.816 -4.737 4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.076 -4.272 3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 108 16.314 -6.832 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 108 17.622 -5.761 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 108 17.644 -7.489 2.922 1.00 0.00 H new ATOM 1648 N MET A 109 15.563 -6.318 7.055 1.00 0.00 N ATOM 1649 CA MET A 109 14.707 -5.846 8.099 1.00 0.00 C ATOM 1650 C MET A 109 15.543 -5.609 9.309 1.00 0.00 C ATOM 1651 O MET A 109 15.178 -4.737 10.096 1.00 0.00 O ATOM 1652 CB MET A 109 13.658 -6.910 8.467 1.00 0.00 C ATOM 1653 CG MET A 109 12.283 -6.684 7.835 1.00 0.00 C ATOM 1654 SD MET A 109 12.172 -6.940 6.039 1.00 0.00 S ATOM 1655 CE MET A 109 11.008 -5.600 5.657 1.00 0.00 C ATOM 0 H MET A 109 15.528 -7.329 6.928 1.00 0.00 H new ATOM 0 HA MET A 109 14.205 -4.940 7.761 1.00 0.00 H new ATOM 0 HB2 MET A 109 14.028 -7.889 8.163 1.00 0.00 H new ATOM 0 HB3 MET A 109 13.547 -6.934 9.551 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.569 -7.350 8.320 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.968 -5.664 8.056 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.807 -5.587 4.586 1.00 0.00 H new ATOM 0 HE2 MET A 109 10.077 -5.762 6.200 1.00 0.00 H new ATOM 0 HE3 MET A 109 11.441 -4.646 5.956 1.00 0.00 H new ATOM 1665 N THR A 110 16.710 -6.264 9.438 1.00 0.00 N ATOM 1666 CA THR A 110 17.685 -5.901 10.419 1.00 0.00 C ATOM 1667 C THR A 110 18.283 -4.593 10.029 1.00 0.00 C ATOM 1668 O THR A 110 18.381 -3.695 10.864 1.00 0.00 O ATOM 1669 CB THR A 110 18.760 -6.939 10.546 1.00 0.00 C ATOM 1670 OG1 THR A 110 18.133 -8.151 10.938 1.00 0.00 O ATOM 1671 CG2 THR A 110 19.731 -6.596 11.688 1.00 0.00 C ATOM 0 H THR A 110 16.981 -7.056 8.854 1.00 0.00 H new ATOM 0 HA THR A 110 17.195 -5.824 11.389 1.00 0.00 H new ATOM 0 HB THR A 110 19.295 -7.001 9.598 1.00 0.00 H new ATOM 0 HG1 THR A 110 17.770 -8.602 10.147 1.00 0.00 H new ATOM 0 HG21 THR A 110 20.499 -7.366 11.756 1.00 0.00 H new ATOM 0 HG22 THR A 110 20.200 -5.632 11.490 1.00 0.00 H new ATOM 0 HG23 THR A 110 19.183 -6.546 12.629 1.00 0.00 H new ATOM 1679 N ASN A 111 18.725 -4.398 8.774 1.00 0.00 N ATOM 1680 CA ASN A 111 19.246 -3.117 8.412 1.00 0.00 C ATOM 1681 C ASN A 111 18.322 -1.948 8.454 1.00 0.00 C ATOM 1682 O ASN A 111 18.672 -0.804 8.740 1.00 0.00 O ATOM 1683 CB ASN A 111 19.726 -3.108 6.951 1.00 0.00 C ATOM 1684 CG ASN A 111 20.983 -3.952 6.799 1.00 0.00 C ATOM 1685 OD1 ASN A 111 21.869 -3.981 7.652 1.00 0.00 O ATOM 1686 ND2 ASN A 111 21.106 -4.688 5.662 1.00 0.00 N ATOM 0 H ASN A 111 18.724 -5.099 8.033 1.00 0.00 H new ATOM 0 HA ASN A 111 20.014 -2.996 9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 111 18.941 -3.494 6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 111 19.927 -2.085 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 111 21.934 -5.265 5.515 1.00 0.00 H new ATOM 0 HD22 ASN A 111 20.370 -4.663 4.956 1.00 0.00 H new ATOM 1693 N LEU A 112 17.029 -2.269 8.268 1.00 0.00 N ATOM 1694 CA LEU A 112 15.977 -1.312 8.123 1.00 0.00 C ATOM 1695 C LEU A 112 15.646 -0.736 9.457 1.00 0.00 C ATOM 1696 O LEU A 112 15.357 0.441 9.664 1.00 0.00 O ATOM 1697 CB LEU A 112 14.702 -1.885 7.480 1.00 0.00 C ATOM 1698 CG LEU A 112 13.493 -0.966 7.241 1.00 0.00 C ATOM 1699 CD1 LEU A 112 14.003 0.134 6.294 1.00 0.00 C ATOM 1700 CD2 LEU A 112 12.362 -1.847 6.684 1.00 0.00 C ATOM 0 H LEU A 112 16.704 -3.234 8.217 1.00 0.00 H new ATOM 0 HA LEU A 112 16.346 -0.543 7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 112 14.985 -2.309 6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.365 -2.712 8.105 1.00 0.00 H new ATOM 0 HG LEU A 112 13.082 -0.477 8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.194 0.831 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 112 14.825 0.670 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 112 14.352 -0.318 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.480 -1.233 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.686 -2.308 5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.117 -2.625 7.407 1.00 0.00 H new ATOM 1712 N GLY A 113 15.717 -1.591 10.493 1.00 0.00 N ATOM 1713 CA GLY A 113 15.318 -1.119 11.782 1.00 0.00 C ATOM 1714 C GLY A 113 15.657 -2.125 12.828 1.00 0.00 C ATOM 1715 O GLY A 113 16.647 -2.054 13.553 1.00 0.00 O ATOM 0 H GLY A 113 16.033 -2.560 10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 113 15.816 -0.174 12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 113 14.246 -0.924 11.790 1.00 0.00 H new ATOM 1719 N GLU A 114 14.745 -3.097 13.007 1.00 0.00 N ATOM 1720 CA GLU A 114 14.674 -3.876 14.204 1.00 0.00 C ATOM 1721 C GLU A 114 15.751 -4.859 14.512 1.00 0.00 C ATOM 1722 O GLU A 114 16.286 -5.479 13.594 1.00 0.00 O ATOM 1723 CB GLU A 114 13.288 -4.538 14.285 1.00 0.00 C ATOM 1724 CG GLU A 114 12.107 -3.589 14.492 1.00 0.00 C ATOM 1725 CD GLU A 114 12.162 -2.866 15.830 1.00 0.00 C ATOM 1726 OE1 GLU A 114 11.856 -3.471 16.892 1.00 0.00 O ATOM 1727 OE2 GLU A 114 12.644 -1.710 15.971 1.00 0.00 O ATOM 0 H GLU A 114 14.045 -3.346 12.309 1.00 0.00 H new ATOM 0 HA GLU A 114 14.848 -3.138 14.987 1.00 0.00 H new ATOM 0 HB2 GLU A 114 13.121 -5.100 13.366 1.00 0.00 H new ATOM 0 HB3 GLU A 114 13.298 -5.259 15.103 1.00 0.00 H new ATOM 0 HG2 GLU A 114 12.091 -2.854 13.687 1.00 0.00 H new ATOM 0 HG3 GLU A 114 11.177 -4.153 14.427 1.00 0.00 H new ATOM 1734 N LYS A 115 16.039 -5.220 15.775 1.00 0.00 N ATOM 1735 CA LYS A 115 16.858 -6.290 16.253 1.00 0.00 C ATOM 1736 C LYS A 115 15.953 -7.462 16.418 1.00 0.00 C ATOM 1737 O LYS A 115 14.895 -7.373 17.040 1.00 0.00 O ATOM 1738 CB LYS A 115 17.490 -6.005 17.626 1.00 0.00 C ATOM 1739 CG LYS A 115 18.895 -5.417 17.477 1.00 0.00 C ATOM 1740 CD LYS A 115 19.563 -4.814 18.715 1.00 0.00 C ATOM 1741 CE LYS A 115 20.971 -4.301 18.406 1.00 0.00 C ATOM 1742 NZ LYS A 115 21.689 -3.901 19.637 1.00 0.00 N ATOM 0 H LYS A 115 15.646 -4.693 16.555 1.00 0.00 H new ATOM 0 HA LYS A 115 17.672 -6.446 15.545 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.860 -5.311 18.182 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.538 -6.927 18.206 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.547 -6.204 17.098 1.00 0.00 H new ATOM 0 HG3 LYS A 115 18.852 -4.642 16.712 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.953 -3.995 19.095 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.614 -5.565 19.503 1.00 0.00 H new ATOM 0 HE2 LYS A 115 21.536 -5.077 17.891 1.00 0.00 H new ATOM 0 HE3 LYS A 115 20.908 -3.450 17.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 22.639 -3.559 19.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 21.162 -3.143 20.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 21.771 -4.720 20.273 1.00 0.00 H new ATOM 1756 N LEU A 116 16.225 -8.552 15.680 1.00 0.00 N ATOM 1757 CA LEU A 116 15.328 -9.628 15.388 1.00 0.00 C ATOM 1758 C LEU A 116 15.929 -10.952 15.715 1.00 0.00 C ATOM 1759 O LEU A 116 17.046 -11.155 15.241 1.00 0.00 O ATOM 1760 CB LEU A 116 14.710 -9.704 13.982 1.00 0.00 C ATOM 1761 CG LEU A 116 14.261 -8.361 13.383 1.00 0.00 C ATOM 1762 CD1 LEU A 116 13.869 -8.671 11.928 1.00 0.00 C ATOM 1763 CD2 LEU A 116 12.970 -7.976 14.124 1.00 0.00 C ATOM 0 H LEU A 116 17.142 -8.691 15.255 1.00 0.00 H new ATOM 0 HA LEU A 116 14.492 -9.381 16.042 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.437 -10.157 13.308 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.849 -10.372 14.018 1.00 0.00 H new ATOM 0 HG LEU A 116 15.020 -7.581 13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.537 -7.756 11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.731 -9.075 11.397 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.060 -9.402 11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.600 -7.025 13.741 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.217 -8.748 13.967 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.177 -7.882 15.190 1.00 0.00 H new ATOM 1775 N THR A 117 15.324 -11.828 16.537 1.00 0.00 N ATOM 1776 CA THR A 117 15.825 -13.127 16.862 1.00 0.00 C ATOM 1777 C THR A 117 15.392 -14.005 15.739 1.00 0.00 C ATOM 1778 O THR A 117 14.516 -13.659 14.947 1.00 0.00 O ATOM 1779 CB THR A 117 15.447 -13.624 18.226 1.00 0.00 C ATOM 1780 OG1 THR A 117 14.047 -13.801 18.379 1.00 0.00 O ATOM 1781 CG2 THR A 117 15.917 -12.698 19.361 1.00 0.00 C ATOM 0 H THR A 117 14.439 -11.618 16.999 1.00 0.00 H new ATOM 0 HA THR A 117 16.911 -13.112 16.949 1.00 0.00 H new ATOM 0 HB THR A 117 15.956 -14.585 18.302 1.00 0.00 H new ATOM 0 HG1 THR A 117 13.641 -12.960 18.675 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.612 -13.115 20.321 1.00 0.00 H new ATOM 0 HG22 THR A 117 17.003 -12.610 19.333 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.470 -11.712 19.235 1.00 0.00 H new ATOM 1789 N ASP A 118 15.943 -15.218 15.550 1.00 0.00 N ATOM 1790 CA ASP A 118 15.557 -16.215 14.600 1.00 0.00 C ATOM 1791 C ASP A 118 14.114 -16.586 14.614 1.00 0.00 C ATOM 1792 O ASP A 118 13.522 -16.617 13.536 1.00 0.00 O ATOM 1793 CB ASP A 118 16.362 -17.465 14.993 1.00 0.00 C ATOM 1794 CG ASP A 118 17.777 -17.271 14.465 1.00 0.00 C ATOM 1795 OD1 ASP A 118 18.614 -16.593 15.118 1.00 0.00 O ATOM 1796 OD2 ASP A 118 18.103 -17.765 13.353 1.00 0.00 O ATOM 0 H ASP A 118 16.733 -15.527 16.117 1.00 0.00 H new ATOM 0 HA ASP A 118 15.745 -15.823 13.601 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.369 -17.594 16.075 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.912 -18.362 14.568 1.00 0.00 H new ATOM 1801 N GLU A 119 13.501 -16.821 15.788 1.00 0.00 N ATOM 1802 CA GLU A 119 12.101 -17.098 15.888 1.00 0.00 C ATOM 1803 C GLU A 119 11.202 -15.979 15.488 1.00 0.00 C ATOM 1804 O GLU A 119 10.162 -16.239 14.885 1.00 0.00 O ATOM 1805 CB GLU A 119 11.713 -17.728 17.236 1.00 0.00 C ATOM 1806 CG GLU A 119 12.052 -16.759 18.370 1.00 0.00 C ATOM 1807 CD GLU A 119 11.270 -16.967 19.659 1.00 0.00 C ATOM 1808 OE1 GLU A 119 10.078 -17.326 19.463 1.00 0.00 O ATOM 1809 OE2 GLU A 119 11.818 -16.900 20.791 1.00 0.00 O ATOM 0 H GLU A 119 13.987 -16.819 16.685 1.00 0.00 H new ATOM 0 HA GLU A 119 11.927 -17.856 15.125 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.648 -17.960 17.248 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.245 -18.669 17.376 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.116 -16.844 18.592 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.879 -15.741 18.020 1.00 0.00 H new ATOM 1816 N GLU A 120 11.679 -14.728 15.622 1.00 0.00 N ATOM 1817 CA GLU A 120 10.992 -13.593 15.088 1.00 0.00 C ATOM 1818 C GLU A 120 11.108 -13.499 13.606 1.00 0.00 C ATOM 1819 O GLU A 120 10.125 -13.180 12.938 1.00 0.00 O ATOM 1820 CB GLU A 120 11.556 -12.301 15.703 1.00 0.00 C ATOM 1821 CG GLU A 120 11.038 -12.217 17.140 1.00 0.00 C ATOM 1822 CD GLU A 120 11.795 -11.145 17.911 1.00 0.00 C ATOM 1823 OE1 GLU A 120 12.976 -11.346 18.300 1.00 0.00 O ATOM 1824 OE2 GLU A 120 11.201 -10.076 18.216 1.00 0.00 O ATOM 0 H GLU A 120 12.549 -14.502 16.105 1.00 0.00 H new ATOM 0 HA GLU A 120 9.939 -13.718 15.340 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.646 -12.312 15.687 1.00 0.00 H new ATOM 0 HB3 GLU A 120 11.238 -11.431 15.128 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.972 -11.989 17.137 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.156 -13.182 17.634 1.00 0.00 H new ATOM 1831 N VAL A 121 12.303 -13.877 13.117 1.00 0.00 N ATOM 1832 CA VAL A 121 12.495 -13.950 11.702 1.00 0.00 C ATOM 1833 C VAL A 121 11.609 -14.985 11.098 1.00 0.00 C ATOM 1834 O VAL A 121 10.914 -14.742 10.113 1.00 0.00 O ATOM 1835 CB VAL A 121 13.909 -14.185 11.260 1.00 0.00 C ATOM 1836 CG1 VAL A 121 14.205 -14.805 9.884 1.00 0.00 C ATOM 1837 CG2 VAL A 121 14.837 -12.969 11.415 1.00 0.00 C ATOM 0 H VAL A 121 13.115 -14.126 13.682 1.00 0.00 H new ATOM 0 HA VAL A 121 12.229 -12.956 11.342 1.00 0.00 H new ATOM 0 HB VAL A 121 14.121 -14.973 11.983 1.00 0.00 H new ATOM 0 HG11 VAL A 121 15.283 -14.894 9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 121 13.749 -15.793 9.824 1.00 0.00 H new ATOM 0 HG13 VAL A 121 13.793 -14.168 9.102 1.00 0.00 H new ATOM 0 HG21 VAL A 121 15.838 -13.229 11.072 1.00 0.00 H new ATOM 0 HG22 VAL A 121 14.453 -12.140 10.820 1.00 0.00 H new ATOM 0 HG23 VAL A 121 14.878 -12.674 12.464 1.00 0.00 H new ATOM 1847 N ASP A 122 11.436 -16.084 11.854 1.00 0.00 N ATOM 1848 CA ASP A 122 10.658 -17.235 11.514 1.00 0.00 C ATOM 1849 C ASP A 122 9.199 -16.985 11.346 1.00 0.00 C ATOM 1850 O ASP A 122 8.620 -17.353 10.325 1.00 0.00 O ATOM 1851 CB ASP A 122 10.984 -18.472 12.369 1.00 0.00 C ATOM 1852 CG ASP A 122 12.245 -19.246 12.011 1.00 0.00 C ATOM 1853 OD1 ASP A 122 12.495 -19.503 10.803 1.00 0.00 O ATOM 1854 OD2 ASP A 122 12.970 -19.619 12.971 1.00 0.00 O ATOM 0 H ASP A 122 11.873 -16.173 12.771 1.00 0.00 H new ATOM 0 HA ASP A 122 10.989 -17.485 10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 122 11.065 -18.154 13.408 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.138 -19.157 12.311 1.00 0.00 H new ATOM 1859 N GLU A 123 8.604 -16.275 12.321 1.00 0.00 N ATOM 1860 CA GLU A 123 7.249 -15.820 12.284 1.00 0.00 C ATOM 1861 C GLU A 123 7.048 -14.889 11.138 1.00 0.00 C ATOM 1862 O GLU A 123 6.021 -14.929 10.462 1.00 0.00 O ATOM 1863 CB GLU A 123 6.808 -15.254 13.644 1.00 0.00 C ATOM 1864 CG GLU A 123 5.427 -14.630 13.857 1.00 0.00 C ATOM 1865 CD GLU A 123 4.971 -14.294 15.269 1.00 0.00 C ATOM 1866 OE1 GLU A 123 5.735 -14.511 16.247 1.00 0.00 O ATOM 1867 OE2 GLU A 123 3.801 -13.839 15.379 1.00 0.00 O ATOM 0 H GLU A 123 9.091 -16.006 13.176 1.00 0.00 H new ATOM 0 HA GLU A 123 6.588 -16.668 12.106 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.900 -16.065 14.366 1.00 0.00 H new ATOM 0 HB3 GLU A 123 7.541 -14.496 13.921 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.390 -13.710 13.273 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.691 -15.310 13.428 1.00 0.00 H new ATOM 1874 N MET A 124 8.053 -14.068 10.782 1.00 0.00 N ATOM 1875 CA MET A 124 8.022 -13.098 9.733 1.00 0.00 C ATOM 1876 C MET A 124 7.920 -13.770 8.406 1.00 0.00 C ATOM 1877 O MET A 124 7.030 -13.504 7.601 1.00 0.00 O ATOM 1878 CB MET A 124 9.271 -12.201 9.750 1.00 0.00 C ATOM 1879 CG MET A 124 9.270 -11.058 8.733 1.00 0.00 C ATOM 1880 SD MET A 124 10.892 -10.300 8.416 1.00 0.00 S ATOM 1881 CE MET A 124 10.958 -9.576 10.080 1.00 0.00 C ATOM 0 H MET A 124 8.952 -14.085 11.264 1.00 0.00 H new ATOM 0 HA MET A 124 7.145 -12.472 9.899 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.380 -11.777 10.748 1.00 0.00 H new ATOM 0 HB3 MET A 124 10.148 -12.824 9.571 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.872 -11.433 7.790 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.587 -10.283 9.082 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.711 -8.789 10.105 1.00 0.00 H new ATOM 0 HE2 MET A 124 9.985 -9.155 10.333 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.218 -10.349 10.803 1.00 0.00 H new ATOM 1891 N ILE A 125 8.819 -14.725 8.110 1.00 0.00 N ATOM 1892 CA ILE A 125 8.890 -15.539 6.937 1.00 0.00 C ATOM 1893 C ILE A 125 7.647 -16.334 6.730 1.00 0.00 C ATOM 1894 O ILE A 125 7.151 -16.643 5.648 1.00 0.00 O ATOM 1895 CB ILE A 125 10.108 -16.409 7.038 1.00 0.00 C ATOM 1896 CG1 ILE A 125 11.366 -15.535 6.900 1.00 0.00 C ATOM 1897 CG2 ILE A 125 10.259 -17.462 5.927 1.00 0.00 C ATOM 1898 CD1 ILE A 125 12.619 -16.224 7.439 1.00 0.00 C ATOM 0 H ILE A 125 9.572 -14.948 8.761 1.00 0.00 H new ATOM 0 HA ILE A 125 8.975 -14.900 6.058 1.00 0.00 H new ATOM 0 HB ILE A 125 9.994 -16.915 7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 125 11.517 -15.284 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.213 -14.597 7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 125 11.170 -18.037 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.399 -18.132 5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.315 -16.964 4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 125 13.478 -15.564 7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 125 12.483 -16.451 8.496 1.00 0.00 H new ATOM 0 HD13 ILE A 125 12.791 -17.149 6.888 1.00 0.00 H new ATOM 1910 N ARG A 126 7.076 -16.714 7.887 1.00 0.00 N ATOM 1911 CA ARG A 126 5.879 -17.496 7.898 1.00 0.00 C ATOM 1912 C ARG A 126 4.681 -16.729 7.456 1.00 0.00 C ATOM 1913 O ARG A 126 3.960 -17.137 6.548 1.00 0.00 O ATOM 1914 CB ARG A 126 5.714 -18.195 9.258 1.00 0.00 C ATOM 1915 CG ARG A 126 4.588 -19.226 9.359 1.00 0.00 C ATOM 1916 CD ARG A 126 4.499 -20.063 10.637 1.00 0.00 C ATOM 1917 NE ARG A 126 4.190 -19.174 11.792 1.00 0.00 N ATOM 1918 CZ ARG A 126 4.944 -19.041 12.922 1.00 0.00 C ATOM 1919 NH1 ARG A 126 6.188 -19.577 13.095 1.00 0.00 N ATOM 1920 NH2 ARG A 126 4.447 -18.328 13.974 1.00 0.00 N ATOM 0 H ARG A 126 7.441 -16.481 8.811 1.00 0.00 H new ATOM 0 HA ARG A 126 5.975 -18.281 7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 126 6.654 -18.690 9.505 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.547 -17.431 10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 126 3.641 -18.701 9.236 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.684 -19.911 8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.726 -20.824 10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.440 -20.586 10.808 1.00 0.00 H new ATOM 0 HE ARG A 126 3.339 -18.615 11.733 1.00 0.00 H new ATOM 0 HH11 ARG A 126 6.617 -20.122 12.347 1.00 0.00 H new ATOM 0 HH12 ARG A 126 6.688 -19.432 13.972 1.00 0.00 H new ATOM 0 HH21 ARG A 126 3.522 -17.902 13.910 1.00 0.00 H new ATOM 0 HH22 ARG A 126 5.000 -18.221 14.824 1.00 0.00 H new ATOM 1934 N GLU A 127 4.503 -15.488 7.944 1.00 0.00 N ATOM 1935 CA GLU A 127 3.436 -14.609 7.578 1.00 0.00 C ATOM 1936 C GLU A 127 3.508 -14.034 6.205 1.00 0.00 C ATOM 1937 O GLU A 127 2.522 -13.702 5.548 1.00 0.00 O ATOM 1938 CB GLU A 127 3.193 -13.536 8.653 1.00 0.00 C ATOM 1939 CG GLU A 127 2.646 -14.164 9.936 1.00 0.00 C ATOM 1940 CD GLU A 127 1.305 -14.878 9.846 1.00 0.00 C ATOM 1941 OE1 GLU A 127 0.228 -14.251 9.656 1.00 0.00 O ATOM 1942 OE2 GLU A 127 1.261 -16.133 9.954 1.00 0.00 O ATOM 0 H GLU A 127 5.137 -15.077 8.629 1.00 0.00 H new ATOM 0 HA GLU A 127 2.559 -15.255 7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.125 -13.013 8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.489 -12.793 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.384 -14.877 10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.560 -13.378 10.686 1.00 0.00 H new ATOM 1949 N ALA A 128 4.764 -14.058 5.726 1.00 0.00 N ATOM 1950 CA ALA A 128 5.051 -13.463 4.458 1.00 0.00 C ATOM 1951 C ALA A 128 4.985 -14.389 3.293 1.00 0.00 C ATOM 1952 O ALA A 128 4.334 -14.166 2.273 1.00 0.00 O ATOM 1953 CB ALA A 128 6.493 -12.942 4.582 1.00 0.00 C ATOM 0 H ALA A 128 5.563 -14.478 6.202 1.00 0.00 H new ATOM 0 HA ALA A 128 4.297 -12.702 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.791 -12.469 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.548 -12.213 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 128 7.163 -13.774 4.797 1.00 0.00 H new ATOM 1959 N ASP A 129 5.681 -15.540 3.330 1.00 0.00 N ATOM 1960 CA ASP A 129 5.899 -16.503 2.296 1.00 0.00 C ATOM 1961 C ASP A 129 4.899 -17.607 2.338 1.00 0.00 C ATOM 1962 O ASP A 129 5.082 -18.550 3.106 1.00 0.00 O ATOM 1963 CB ASP A 129 7.337 -17.047 2.316 1.00 0.00 C ATOM 1964 CG ASP A 129 7.664 -18.047 1.216 1.00 0.00 C ATOM 1965 OD1 ASP A 129 6.895 -18.104 0.219 1.00 0.00 O ATOM 1966 OD2 ASP A 129 8.768 -18.655 1.210 1.00 0.00 O ATOM 0 H ASP A 129 6.146 -15.826 4.192 1.00 0.00 H new ATOM 0 HA ASP A 129 5.761 -15.981 1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.028 -16.207 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.517 -17.520 3.281 1.00 0.00 H new ATOM 1971 N ILE A 130 3.766 -17.284 1.690 1.00 0.00 N ATOM 1972 CA ILE A 130 2.596 -18.106 1.693 1.00 0.00 C ATOM 1973 C ILE A 130 2.776 -19.425 1.024 1.00 0.00 C ATOM 1974 O ILE A 130 2.186 -20.434 1.406 1.00 0.00 O ATOM 1975 CB ILE A 130 1.373 -17.399 1.189 1.00 0.00 C ATOM 1976 CG1 ILE A 130 0.131 -18.019 1.850 1.00 0.00 C ATOM 1977 CG2 ILE A 130 1.309 -17.395 -0.348 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -1.105 -17.143 1.652 1.00 0.00 C ATOM 0 H ILE A 130 3.660 -16.426 1.148 1.00 0.00 H new ATOM 0 HA ILE A 130 2.430 -18.322 2.748 1.00 0.00 H new ATOM 0 HB ILE A 130 1.414 -16.347 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.051 -19.008 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.315 -18.155 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.409 -16.874 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 130 2.187 -16.887 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.286 -18.422 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -1.964 -17.612 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.931 -16.163 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -1.303 -17.028 0.586 1.00 0.00 H new ATOM 1990 N ASP A 131 3.758 -19.564 0.115 1.00 0.00 N ATOM 1991 CA ASP A 131 3.991 -20.764 -0.628 1.00 0.00 C ATOM 1992 C ASP A 131 4.918 -21.737 0.015 1.00 0.00 C ATOM 1993 O ASP A 131 4.880 -22.928 -0.288 1.00 0.00 O ATOM 1994 CB ASP A 131 4.416 -20.558 -2.092 1.00 0.00 C ATOM 1995 CG ASP A 131 3.987 -19.243 -2.727 1.00 0.00 C ATOM 1996 OD1 ASP A 131 2.778 -19.089 -3.047 1.00 0.00 O ATOM 1997 OD2 ASP A 131 4.953 -18.496 -3.038 1.00 0.00 O ATOM 0 H ASP A 131 4.413 -18.815 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 131 2.991 -21.198 -0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.502 -20.630 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 131 4.011 -21.376 -2.687 1.00 0.00 H new ATOM 2002 N GLY A 132 5.884 -21.210 0.788 1.00 0.00 N ATOM 2003 CA GLY A 132 6.768 -22.067 1.515 1.00 0.00 C ATOM 2004 C GLY A 132 8.015 -22.458 0.799 1.00 0.00 C ATOM 2005 O GLY A 132 8.543 -23.556 0.971 1.00 0.00 O ATOM 0 H GLY A 132 6.052 -20.211 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 132 7.044 -21.570 2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.226 -22.973 1.786 1.00 0.00 H new ATOM 2009 N ASP A 133 8.462 -21.579 -0.116 1.00 0.00 N ATOM 2010 CA ASP A 133 9.489 -21.783 -1.090 1.00 0.00 C ATOM 2011 C ASP A 133 10.807 -21.258 -0.634 1.00 0.00 C ATOM 2012 O ASP A 133 11.790 -21.942 -0.915 1.00 0.00 O ATOM 2013 CB ASP A 133 9.098 -21.285 -2.492 1.00 0.00 C ATOM 2014 CG ASP A 133 8.743 -19.809 -2.602 1.00 0.00 C ATOM 2015 OD1 ASP A 133 9.667 -18.965 -2.744 1.00 0.00 O ATOM 2016 OD2 ASP A 133 7.525 -19.488 -2.579 1.00 0.00 O ATOM 0 H ASP A 133 8.067 -20.641 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 133 9.605 -22.862 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 133 9.924 -21.491 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 133 8.246 -21.870 -2.839 1.00 0.00 H new ATOM 2021 N GLY A 134 10.914 -20.061 -0.031 1.00 0.00 N ATOM 2022 CA GLY A 134 12.127 -19.418 0.373 1.00 0.00 C ATOM 2023 C GLY A 134 12.029 -17.983 -0.016 1.00 0.00 C ATOM 2024 O GLY A 134 12.790 -17.209 0.562 1.00 0.00 O ATOM 0 H GLY A 134 10.091 -19.501 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.271 -19.514 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.987 -19.887 -0.106 1.00 0.00 H new ATOM 2028 N GLN A 135 11.270 -17.525 -1.027 1.00 0.00 N ATOM 2029 CA GLN A 135 11.185 -16.145 -1.394 1.00 0.00 C ATOM 2030 C GLN A 135 9.893 -15.452 -1.126 1.00 0.00 C ATOM 2031 O GLN A 135 8.828 -16.052 -0.995 1.00 0.00 O ATOM 2032 CB GLN A 135 11.596 -15.923 -2.859 1.00 0.00 C ATOM 2033 CG GLN A 135 12.970 -16.544 -3.115 1.00 0.00 C ATOM 2034 CD GLN A 135 13.409 -16.418 -4.566 1.00 0.00 C ATOM 2035 OE1 GLN A 135 14.397 -15.745 -4.852 1.00 0.00 O ATOM 2036 NE2 GLN A 135 12.677 -16.940 -5.587 1.00 0.00 N ATOM 0 H GLN A 135 10.696 -18.135 -1.609 1.00 0.00 H new ATOM 0 HA GLN A 135 11.897 -15.677 -0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 135 10.857 -16.368 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 135 11.623 -14.856 -3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 135 13.707 -16.062 -2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 135 12.946 -17.598 -2.837 1.00 0.00 H new ATOM 0 HE21 GLN A 135 11.851 -17.504 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 135 12.954 -16.768 -6.553 1.00 0.00 H new ATOM 2045 N VAL A 136 9.971 -14.128 -0.901 1.00 0.00 N ATOM 2046 CA VAL A 136 8.872 -13.213 -0.919 1.00 0.00 C ATOM 2047 C VAL A 136 8.942 -12.508 -2.230 1.00 0.00 C ATOM 2048 O VAL A 136 9.959 -11.944 -2.630 1.00 0.00 O ATOM 2049 CB VAL A 136 9.009 -12.329 0.285 1.00 0.00 C ATOM 2050 CG1 VAL A 136 8.124 -11.088 0.082 1.00 0.00 C ATOM 2051 CG2 VAL A 136 8.426 -13.183 1.424 1.00 0.00 C ATOM 0 H VAL A 136 10.858 -13.668 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 136 7.886 -13.673 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 136 10.030 -11.999 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 136 8.211 -10.433 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.447 -10.553 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 136 7.085 -11.397 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.478 -12.626 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 136 7.386 -13.424 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.000 -14.105 1.518 1.00 0.00 H new ATOM 2061 N ASN A 137 7.837 -12.638 -2.986 1.00 0.00 N ATOM 2062 CA ASN A 137 7.637 -11.973 -4.236 1.00 0.00 C ATOM 2063 C ASN A 137 6.863 -10.737 -3.933 1.00 0.00 C ATOM 2064 O ASN A 137 6.550 -10.409 -2.790 1.00 0.00 O ATOM 2065 CB ASN A 137 7.080 -12.899 -5.331 1.00 0.00 C ATOM 2066 CG ASN A 137 5.575 -13.127 -5.333 1.00 0.00 C ATOM 2067 OD1 ASN A 137 4.788 -12.662 -4.511 1.00 0.00 O ATOM 2068 ND2 ASN A 137 5.106 -13.907 -6.343 1.00 0.00 N ATOM 0 H ASN A 137 7.052 -13.230 -2.715 1.00 0.00 H new ATOM 0 HA ASN A 137 8.577 -11.673 -4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 137 7.363 -12.489 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 137 7.571 -13.868 -5.239 1.00 0.00 H new ATOM 0 HD21 ASN A 137 4.108 -14.103 -6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 137 5.753 -14.296 -7.029 1.00 0.00 H new ATOM 2075 N TYR A 138 6.461 -9.914 -4.918 1.00 0.00 N ATOM 2076 CA TYR A 138 5.836 -8.630 -4.849 1.00 0.00 C ATOM 2077 C TYR A 138 4.504 -8.708 -4.186 1.00 0.00 C ATOM 2078 O TYR A 138 4.169 -7.883 -3.337 1.00 0.00 O ATOM 2079 CB TYR A 138 5.758 -8.043 -6.269 1.00 0.00 C ATOM 2080 CG TYR A 138 4.999 -6.761 -6.301 1.00 0.00 C ATOM 2081 CD1 TYR A 138 5.404 -5.637 -5.619 1.00 0.00 C ATOM 2082 CD2 TYR A 138 3.782 -6.777 -6.940 1.00 0.00 C ATOM 2083 CE1 TYR A 138 4.545 -4.565 -5.672 1.00 0.00 C ATOM 2084 CE2 TYR A 138 2.983 -5.659 -7.007 1.00 0.00 C ATOM 2085 CZ TYR A 138 3.357 -4.504 -6.361 1.00 0.00 C ATOM 2086 OH TYR A 138 2.492 -3.389 -6.385 1.00 0.00 O ATOM 0 H TYR A 138 6.595 -10.191 -5.890 1.00 0.00 H new ATOM 0 HA TYR A 138 6.433 -7.961 -4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 138 6.766 -7.877 -6.649 1.00 0.00 H new ATOM 0 HB3 TYR A 138 5.281 -8.763 -6.934 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.337 -5.599 -5.077 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.444 -7.693 -7.402 1.00 0.00 H new ATOM 0 HE1 TYR A 138 4.832 -3.684 -5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 138 2.061 -5.688 -7.568 1.00 0.00 H new ATOM 0 HH TYR A 138 1.714 -3.591 -6.946 1.00 0.00 H new ATOM 2096 N GLU A 139 3.633 -9.653 -4.581 1.00 0.00 N ATOM 2097 CA GLU A 139 2.370 -9.800 -3.926 1.00 0.00 C ATOM 2098 C GLU A 139 2.542 -10.197 -2.500 1.00 0.00 C ATOM 2099 O GLU A 139 1.701 -9.680 -1.766 1.00 0.00 O ATOM 2100 CB GLU A 139 1.558 -10.849 -4.705 1.00 0.00 C ATOM 2101 CG GLU A 139 0.980 -10.298 -6.010 1.00 0.00 C ATOM 2102 CD GLU A 139 -0.038 -11.249 -6.621 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -1.168 -11.399 -6.085 1.00 0.00 O ATOM 2104 OE2 GLU A 139 0.249 -11.908 -7.656 1.00 0.00 O ATOM 0 H GLU A 139 3.799 -10.308 -5.345 1.00 0.00 H new ATOM 0 HA GLU A 139 1.840 -8.848 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.196 -11.704 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.745 -11.213 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 139 0.509 -9.333 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 139 1.788 -10.124 -6.721 1.00 0.00 H new ATOM 2111 N GLU A 140 3.544 -11.033 -2.176 1.00 0.00 N ATOM 2112 CA GLU A 140 3.808 -11.557 -0.872 1.00 0.00 C ATOM 2113 C GLU A 140 4.438 -10.556 0.034 1.00 0.00 C ATOM 2114 O GLU A 140 4.123 -10.432 1.216 1.00 0.00 O ATOM 2115 CB GLU A 140 4.688 -12.818 -0.837 1.00 0.00 C ATOM 2116 CG GLU A 140 3.997 -13.963 -1.581 1.00 0.00 C ATOM 2117 CD GLU A 140 4.994 -15.113 -1.581 1.00 0.00 C ATOM 2118 OE1 GLU A 140 6.041 -15.065 -2.280 1.00 0.00 O ATOM 2119 OE2 GLU A 140 4.780 -16.174 -0.935 1.00 0.00 O ATOM 0 H GLU A 140 4.213 -11.364 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 140 2.810 -11.826 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 140 5.655 -12.609 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.880 -13.109 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.069 -14.249 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 140 3.738 -13.669 -2.598 1.00 0.00 H new ATOM 2126 N PHE A 141 5.264 -9.635 -0.494 1.00 0.00 N ATOM 2127 CA PHE A 141 5.749 -8.416 0.076 1.00 0.00 C ATOM 2128 C PHE A 141 4.638 -7.484 0.418 1.00 0.00 C ATOM 2129 O PHE A 141 4.554 -6.978 1.536 1.00 0.00 O ATOM 2130 CB PHE A 141 6.783 -7.782 -0.870 1.00 0.00 C ATOM 2131 CG PHE A 141 7.536 -6.732 -0.128 1.00 0.00 C ATOM 2132 CD1 PHE A 141 8.277 -7.073 0.979 1.00 0.00 C ATOM 2133 CD2 PHE A 141 7.390 -5.389 -0.382 1.00 0.00 C ATOM 2134 CE1 PHE A 141 8.796 -6.125 1.829 1.00 0.00 C ATOM 2135 CE2 PHE A 141 8.046 -4.430 0.353 1.00 0.00 C ATOM 2136 CZ PHE A 141 8.673 -4.790 1.523 1.00 0.00 C ATOM 0 H PHE A 141 5.635 -9.765 -1.435 1.00 0.00 H new ATOM 0 HA PHE A 141 6.246 -8.639 1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.468 -8.543 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.285 -7.347 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 141 8.457 -8.117 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.739 -5.077 -1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 141 9.299 -6.428 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 141 8.069 -3.404 0.015 1.00 0.00 H new ATOM 0 HZ PHE A 141 9.063 -4.036 2.191 1.00 0.00 H new ATOM 2146 N VAL A 142 3.639 -7.283 -0.461 1.00 0.00 N ATOM 2147 CA VAL A 142 2.493 -6.487 -0.148 1.00 0.00 C ATOM 2148 C VAL A 142 1.744 -7.202 0.923 1.00 0.00 C ATOM 2149 O VAL A 142 1.392 -6.565 1.915 1.00 0.00 O ATOM 2150 CB VAL A 142 1.556 -6.299 -1.304 1.00 0.00 C ATOM 2151 CG1 VAL A 142 0.263 -5.551 -0.937 1.00 0.00 C ATOM 2152 CG2 VAL A 142 2.102 -5.457 -2.469 1.00 0.00 C ATOM 0 H VAL A 142 3.627 -7.678 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 142 2.847 -5.499 0.146 1.00 0.00 H new ATOM 0 HB VAL A 142 1.397 -7.338 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.365 -5.453 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.275 -6.109 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.511 -4.560 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.346 -5.384 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.351 -4.458 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.996 -5.931 -2.873 1.00 0.00 H new ATOM 2162 N GLN A 143 1.298 -8.469 0.852 1.00 0.00 N ATOM 2163 CA GLN A 143 0.653 -9.199 1.900 1.00 0.00 C ATOM 2164 C GLN A 143 1.367 -9.304 3.203 1.00 0.00 C ATOM 2165 O GLN A 143 0.734 -9.273 4.257 1.00 0.00 O ATOM 2166 CB GLN A 143 0.259 -10.664 1.645 1.00 0.00 C ATOM 2167 CG GLN A 143 -0.659 -10.831 0.432 1.00 0.00 C ATOM 2168 CD GLN A 143 -1.523 -12.083 0.396 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -1.069 -13.028 -0.247 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -2.683 -12.098 1.106 1.00 0.00 N ATOM 0 H GLN A 143 1.396 -9.022 0.001 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.214 -8.539 1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 143 1.161 -11.257 1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -0.240 -11.060 2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -1.316 -9.963 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -0.042 -10.818 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -2.983 -11.264 1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -3.253 -12.943 1.133 1.00 0.00 H new ATOM 2179 N MET A 144 2.710 -9.232 3.216 1.00 0.00 N ATOM 2180 CA MET A 144 3.552 -9.132 4.367 1.00 0.00 C ATOM 2181 C MET A 144 3.494 -7.771 4.971 1.00 0.00 C ATOM 2182 O MET A 144 3.107 -7.690 6.136 1.00 0.00 O ATOM 2183 CB MET A 144 5.017 -9.484 4.059 1.00 0.00 C ATOM 2184 CG MET A 144 6.100 -9.106 5.072 1.00 0.00 C ATOM 2185 SD MET A 144 7.780 -9.506 4.504 1.00 0.00 S ATOM 2186 CE MET A 144 8.455 -8.421 5.795 1.00 0.00 C ATOM 0 H MET A 144 3.249 -9.245 2.350 1.00 0.00 H new ATOM 0 HA MET A 144 3.167 -9.861 5.079 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.071 -10.562 3.906 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.276 -9.014 3.110 1.00 0.00 H new ATOM 0 HG2 MET A 144 6.038 -8.038 5.279 1.00 0.00 H new ATOM 0 HG3 MET A 144 5.907 -9.625 6.011 1.00 0.00 H new ATOM 0 HE1 MET A 144 9.539 -8.532 5.834 1.00 0.00 H new ATOM 0 HE2 MET A 144 8.204 -7.385 5.567 1.00 0.00 H new ATOM 0 HE3 MET A 144 8.028 -8.694 6.760 1.00 0.00 H new ATOM 2196 N MET A 145 3.703 -6.685 4.205 1.00 0.00 N ATOM 2197 CA MET A 145 3.713 -5.376 4.779 1.00 0.00 C ATOM 2198 C MET A 145 2.371 -4.786 5.052 1.00 0.00 C ATOM 2199 O MET A 145 2.332 -4.013 6.007 1.00 0.00 O ATOM 2200 CB MET A 145 4.421 -4.321 3.913 1.00 0.00 C ATOM 2201 CG MET A 145 5.907 -4.597 3.673 1.00 0.00 C ATOM 2202 SD MET A 145 7.027 -4.398 5.090 1.00 0.00 S ATOM 2203 CE MET A 145 6.767 -2.621 5.359 1.00 0.00 C ATOM 0 H MET A 145 3.864 -6.712 3.198 1.00 0.00 H new ATOM 0 HA MET A 145 4.245 -5.574 5.710 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.915 -4.260 2.950 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.317 -3.347 4.391 1.00 0.00 H new ATOM 0 HG2 MET A 145 6.006 -5.618 3.305 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.249 -3.936 2.876 1.00 0.00 H new ATOM 0 HE1 MET A 145 7.616 -2.207 5.903 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.672 -2.117 4.397 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.856 -2.470 5.939 1.00 0.00 H new