USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 578 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 46 ASN : amide:sc= 0.127 K(o=0.13,f=-6!) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 50:sc= -1.97 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -2.15! C(o=-2.2!,f=-2.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0522 K(o=-0.052,f=-1) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.11! C(o=-1.1!,f=-1.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.2) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.817 -2.550 11.864 1.00 74.45 N ATOM 2 CA GLY A 1 14.124 -3.743 11.415 1.00 34.23 C ATOM 3 C GLY A 1 13.210 -4.318 12.480 1.00 52.03 C ATOM 4 O GLY A 1 13.676 -4.830 13.497 1.00 61.10 O ATOM 0 H1 GLY A 1 15.428 -2.196 11.101 1.00 74.45 H new ATOM 0 H2 GLY A 1 14.122 -1.819 12.118 1.00 74.45 H new ATOM 0 H3 GLY A 1 15.398 -2.778 12.696 1.00 74.45 H new ATOM 0 HA2 GLY A 1 13.538 -3.507 10.527 1.00 34.23 H new ATOM 0 HA3 GLY A 1 14.856 -4.496 11.123 1.00 34.23 H new ATOM 8 N SER A 2 11.904 -4.230 12.246 1.00 20.00 N ATOM 9 CA SER A 2 10.922 -4.741 13.195 1.00 42.35 C ATOM 10 C SER A 2 9.963 -5.713 12.514 1.00 30.02 C ATOM 11 O SER A 2 8.985 -5.303 11.887 1.00 23.03 O ATOM 12 CB SER A 2 10.137 -3.586 13.819 1.00 61.22 C ATOM 13 OG SER A 2 10.218 -3.619 15.233 1.00 10.43 O ATOM 0 H SER A 2 11.502 -3.810 11.408 1.00 20.00 H new ATOM 0 HA SER A 2 11.456 -5.275 13.981 1.00 42.35 H new ATOM 0 HB2 SER A 2 10.527 -2.637 13.451 1.00 61.22 H new ATOM 0 HB3 SER A 2 9.093 -3.643 13.510 1.00 61.22 H new ATOM 0 HG SER A 2 9.710 -2.870 15.607 1.00 10.43 H new ATOM 19 N THR A 3 10.251 -7.004 12.643 1.00 23.52 N ATOM 20 CA THR A 3 9.416 -8.036 12.040 1.00 21.03 C ATOM 21 C THR A 3 7.939 -7.671 12.130 1.00 63.54 C ATOM 22 O THR A 3 7.267 -7.511 11.111 1.00 25.24 O ATOM 23 CB THR A 3 9.636 -9.403 12.716 1.00 42.34 C ATOM 24 OG1 THR A 3 11.018 -9.771 12.636 1.00 25.24 O ATOM 25 CG2 THR A 3 8.781 -10.476 12.060 1.00 64.23 C ATOM 0 H THR A 3 11.055 -7.360 13.159 1.00 23.52 H new ATOM 0 HA THR A 3 9.708 -8.105 10.992 1.00 21.03 H new ATOM 0 HB THR A 3 9.342 -9.318 13.762 1.00 42.34 H new ATOM 0 HG1 THR A 3 11.151 -10.640 13.069 1.00 25.24 H new ATOM 0 HG21 THR A 3 8.954 -11.432 12.555 1.00 64.23 H new ATOM 0 HG22 THR A 3 7.728 -10.207 12.148 1.00 64.23 H new ATOM 0 HG23 THR A 3 9.047 -10.559 11.006 1.00 64.23 H new ATOM 33 N MET A 4 7.440 -7.538 13.354 1.00 63.33 N ATOM 34 CA MET A 4 6.042 -7.188 13.575 1.00 63.40 C ATOM 35 C MET A 4 5.121 -8.321 13.133 1.00 23.13 C ATOM 36 O MET A 4 5.321 -8.919 12.076 1.00 4.31 O ATOM 37 CB MET A 4 5.689 -5.905 12.820 1.00 34.22 C ATOM 38 CG MET A 4 5.284 -4.756 13.731 1.00 5.21 C ATOM 39 SD MET A 4 4.910 -3.247 12.818 1.00 1.34 S ATOM 40 CE MET A 4 5.896 -2.054 13.719 1.00 14.34 C ATOM 0 H MET A 4 7.983 -7.667 14.208 1.00 63.33 H new ATOM 0 HA MET A 4 5.900 -7.023 14.643 1.00 63.40 H new ATOM 0 HB2 MET A 4 6.546 -5.598 12.221 1.00 34.22 H new ATOM 0 HB3 MET A 4 4.874 -6.113 12.127 1.00 34.22 H new ATOM 0 HG2 MET A 4 4.411 -5.050 14.314 1.00 5.21 H new ATOM 0 HG3 MET A 4 6.088 -4.558 14.439 1.00 5.21 H new ATOM 0 HE1 MET A 4 5.771 -1.067 13.273 1.00 14.34 H new ATOM 0 HE2 MET A 4 5.572 -2.026 14.759 1.00 14.34 H new ATOM 0 HE3 MET A 4 6.946 -2.342 13.674 1.00 14.34 H new ATOM 50 N ALA A 5 4.113 -8.613 13.949 1.00 53.33 N ATOM 51 CA ALA A 5 3.162 -9.673 13.640 1.00 3.01 C ATOM 52 C ALA A 5 2.482 -9.427 12.297 1.00 74.10 C ATOM 53 O ALA A 5 1.972 -8.336 12.041 1.00 1.11 O ATOM 54 CB ALA A 5 2.123 -9.789 14.746 1.00 1.20 C ATOM 0 H ALA A 5 3.934 -8.130 14.829 1.00 53.33 H new ATOM 0 HA ALA A 5 3.712 -10.612 13.573 1.00 3.01 H new ATOM 0 HB1 ALA A 5 1.419 -10.585 14.502 1.00 1.20 H new ATOM 0 HB2 ALA A 5 2.619 -10.020 15.689 1.00 1.20 H new ATOM 0 HB3 ALA A 5 1.585 -8.845 14.841 1.00 1.20 H new ATOM 60 N GLU A 6 2.479 -10.447 11.445 1.00 61.42 N ATOM 61 CA GLU A 6 1.862 -10.339 10.128 1.00 64.11 C ATOM 62 C GLU A 6 2.588 -9.306 9.270 1.00 21.22 C ATOM 63 O GLU A 6 3.317 -8.459 9.785 1.00 35.30 O ATOM 64 CB GLU A 6 0.386 -9.960 10.261 1.00 51.31 C ATOM 65 CG GLU A 6 -0.417 -10.187 8.991 1.00 73.52 C ATOM 66 CD GLU A 6 -1.911 -10.241 9.247 1.00 52.52 C ATOM 67 OE1 GLU A 6 -2.624 -10.891 8.455 1.00 61.24 O ATOM 68 OE2 GLU A 6 -2.366 -9.634 10.239 1.00 24.33 O ATOM 0 H GLU A 6 2.896 -11.357 11.643 1.00 61.42 H new ATOM 0 HA GLU A 6 1.938 -11.310 9.639 1.00 64.11 H new ATOM 0 HB2 GLU A 6 -0.058 -10.540 11.070 1.00 51.31 H new ATOM 0 HB3 GLU A 6 0.313 -8.910 10.544 1.00 51.31 H new ATOM 0 HG2 GLU A 6 -0.202 -9.387 8.282 1.00 73.52 H new ATOM 0 HG3 GLU A 6 -0.098 -11.120 8.526 1.00 73.52 H new ATOM 76 N GLU A 7 2.383 -9.384 7.959 1.00 0.21 N ATOM 77 CA GLU A 7 3.019 -8.458 7.030 1.00 51.33 C ATOM 78 C GLU A 7 2.403 -8.572 5.639 1.00 23.32 C ATOM 79 O GLU A 7 2.277 -9.668 5.093 1.00 44.14 O ATOM 80 CB GLU A 7 4.524 -8.726 6.957 1.00 62.15 C ATOM 81 CG GLU A 7 5.373 -7.564 7.444 1.00 2.23 C ATOM 82 CD GLU A 7 6.859 -7.826 7.295 1.00 2.44 C ATOM 83 OE1 GLU A 7 7.537 -8.006 8.329 1.00 55.11 O ATOM 84 OE2 GLU A 7 7.345 -7.852 6.145 1.00 4.22 O ATOM 0 H GLU A 7 1.782 -10.079 7.517 1.00 0.21 H new ATOM 0 HA GLU A 7 2.855 -7.445 7.399 1.00 51.33 H new ATOM 0 HB2 GLU A 7 4.757 -9.609 7.552 1.00 62.15 H new ATOM 0 HB3 GLU A 7 4.794 -8.956 5.926 1.00 62.15 H new ATOM 0 HG2 GLU A 7 5.108 -6.666 6.886 1.00 2.23 H new ATOM 0 HG3 GLU A 7 5.146 -7.367 8.492 1.00 2.23 H new ATOM 92 N VAL A 8 2.018 -7.433 5.073 1.00 65.20 N ATOM 93 CA VAL A 8 1.415 -7.404 3.746 1.00 24.50 C ATOM 94 C VAL A 8 2.044 -6.318 2.880 1.00 25.21 C ATOM 95 O VAL A 8 2.479 -5.282 3.382 1.00 23.52 O ATOM 96 CB VAL A 8 -0.105 -7.167 3.825 1.00 61.12 C ATOM 97 CG1 VAL A 8 -0.720 -7.175 2.434 1.00 4.41 C ATOM 98 CG2 VAL A 8 -0.761 -8.213 4.712 1.00 33.25 C ATOM 0 H VAL A 8 2.113 -6.518 5.513 1.00 65.20 H new ATOM 0 HA VAL A 8 1.600 -8.378 3.293 1.00 24.50 H new ATOM 0 HB VAL A 8 -0.280 -6.186 4.268 1.00 61.12 H new ATOM 0 HG11 VAL A 8 -1.794 -7.006 2.510 1.00 4.41 H new ATOM 0 HG12 VAL A 8 -0.270 -6.385 1.833 1.00 4.41 H new ATOM 0 HG13 VAL A 8 -0.537 -8.140 1.961 1.00 4.41 H new ATOM 0 HG21 VAL A 8 -1.835 -8.031 4.757 1.00 33.25 H new ATOM 0 HG22 VAL A 8 -0.578 -9.206 4.300 1.00 33.25 H new ATOM 0 HG23 VAL A 8 -0.341 -8.154 5.716 1.00 33.25 H new ATOM 108 N VAL A 9 2.088 -6.563 1.574 1.00 64.34 N ATOM 109 CA VAL A 9 2.662 -5.605 0.636 1.00 72.13 C ATOM 110 C VAL A 9 1.706 -5.326 -0.519 1.00 74.23 C ATOM 111 O VAL A 9 1.024 -6.227 -1.007 1.00 51.53 O ATOM 112 CB VAL A 9 4.002 -6.110 0.067 1.00 34.23 C ATOM 113 CG1 VAL A 9 5.168 -5.409 0.746 1.00 54.31 C ATOM 114 CG2 VAL A 9 4.112 -7.619 0.224 1.00 73.32 C ATOM 0 H VAL A 9 1.733 -7.416 1.142 1.00 64.34 H new ATOM 0 HA VAL A 9 2.835 -4.683 1.192 1.00 72.13 H new ATOM 0 HB VAL A 9 4.037 -5.875 -0.997 1.00 34.23 H new ATOM 0 HG11 VAL A 9 6.106 -5.778 0.331 1.00 54.31 H new ATOM 0 HG12 VAL A 9 5.095 -4.335 0.577 1.00 54.31 H new ATOM 0 HG13 VAL A 9 5.140 -5.611 1.817 1.00 54.31 H new ATOM 0 HG21 VAL A 9 5.064 -7.959 -0.183 1.00 73.32 H new ATOM 0 HG22 VAL A 9 4.055 -7.880 1.281 1.00 73.32 H new ATOM 0 HG23 VAL A 9 3.295 -8.101 -0.313 1.00 73.32 H new ATOM 124 N VAL A 10 1.660 -4.070 -0.951 1.00 54.53 N ATOM 125 CA VAL A 10 0.788 -3.671 -2.049 1.00 54.14 C ATOM 126 C VAL A 10 1.558 -2.879 -3.101 1.00 21.22 C ATOM 127 O VAL A 10 2.386 -2.030 -2.772 1.00 43.03 O ATOM 128 CB VAL A 10 -0.394 -2.821 -1.547 1.00 45.02 C ATOM 129 CG1 VAL A 10 -0.943 -3.386 -0.247 1.00 11.15 C ATOM 130 CG2 VAL A 10 0.028 -1.371 -1.371 1.00 50.13 C ATOM 0 H VAL A 10 2.216 -3.311 -0.557 1.00 54.53 H new ATOM 0 HA VAL A 10 0.403 -4.587 -2.496 1.00 54.14 H new ATOM 0 HB VAL A 10 -1.187 -2.856 -2.294 1.00 45.02 H new ATOM 0 HG11 VAL A 10 -1.778 -2.773 0.093 1.00 11.15 H new ATOM 0 HG12 VAL A 10 -1.286 -4.407 -0.411 1.00 11.15 H new ATOM 0 HG13 VAL A 10 -0.159 -3.384 0.510 1.00 11.15 H new ATOM 0 HG21 VAL A 10 -0.820 -0.786 -1.016 1.00 50.13 H new ATOM 0 HG22 VAL A 10 0.838 -1.314 -0.644 1.00 50.13 H new ATOM 0 HG23 VAL A 10 0.369 -0.973 -2.327 1.00 50.13 H new ATOM 140 N VAL A 11 1.277 -3.163 -4.370 1.00 13.40 N ATOM 141 CA VAL A 11 1.941 -2.477 -5.471 1.00 52.41 C ATOM 142 C VAL A 11 1.007 -1.470 -6.134 1.00 52.41 C ATOM 143 O VAL A 11 -0.055 -1.832 -6.639 1.00 13.45 O ATOM 144 CB VAL A 11 2.442 -3.473 -6.533 1.00 61.33 C ATOM 145 CG1 VAL A 11 1.283 -4.286 -7.090 1.00 22.04 C ATOM 146 CG2 VAL A 11 3.173 -2.741 -7.647 1.00 44.22 C ATOM 0 H VAL A 11 0.594 -3.863 -4.660 1.00 13.40 H new ATOM 0 HA VAL A 11 2.796 -1.951 -5.046 1.00 52.41 H new ATOM 0 HB VAL A 11 3.143 -4.160 -6.060 1.00 61.33 H new ATOM 0 HG11 VAL A 11 1.656 -4.985 -7.839 1.00 22.04 H new ATOM 0 HG12 VAL A 11 0.806 -4.841 -6.282 1.00 22.04 H new ATOM 0 HG13 VAL A 11 0.556 -3.616 -7.549 1.00 22.04 H new ATOM 0 HG21 VAL A 11 3.520 -3.461 -8.389 1.00 44.22 H new ATOM 0 HG22 VAL A 11 2.496 -2.030 -8.120 1.00 44.22 H new ATOM 0 HG23 VAL A 11 4.028 -2.207 -7.232 1.00 44.22 H new ATOM 156 N ALA A 12 1.412 -0.204 -6.130 1.00 52.05 N ATOM 157 CA ALA A 12 0.613 0.855 -6.734 1.00 53.20 C ATOM 158 C ALA A 12 0.507 0.671 -8.243 1.00 61.01 C ATOM 159 O ALA A 12 1.471 0.276 -8.901 1.00 12.22 O ATOM 160 CB ALA A 12 1.208 2.217 -6.406 1.00 43.52 C ATOM 0 H ALA A 12 2.288 0.113 -5.715 1.00 52.05 H new ATOM 0 HA ALA A 12 -0.393 0.800 -6.317 1.00 53.20 H new ATOM 0 HB1 ALA A 12 0.601 2.999 -6.863 1.00 43.52 H new ATOM 0 HB2 ALA A 12 1.224 2.356 -5.325 1.00 43.52 H new ATOM 0 HB3 ALA A 12 2.225 2.273 -6.794 1.00 43.52 H new ATOM 166 N LYS A 13 -0.669 0.959 -8.789 1.00 31.04 N ATOM 167 CA LYS A 13 -0.903 0.825 -10.222 1.00 3.42 C ATOM 168 C LYS A 13 -0.990 2.194 -10.889 1.00 42.41 C ATOM 169 O LYS A 13 -0.914 2.305 -12.112 1.00 43.54 O ATOM 170 CB LYS A 13 -2.190 0.038 -10.479 1.00 45.52 C ATOM 171 CG LYS A 13 -3.409 0.625 -9.789 1.00 1.34 C ATOM 172 CD LYS A 13 -4.583 -0.339 -9.819 1.00 21.43 C ATOM 173 CE LYS A 13 -4.994 -0.675 -11.244 1.00 70.12 C ATOM 174 NZ LYS A 13 -5.962 -1.806 -11.291 1.00 42.21 N ATOM 0 H LYS A 13 -1.477 1.287 -8.260 1.00 31.04 H new ATOM 0 HA LYS A 13 -0.061 0.283 -10.653 1.00 3.42 H new ATOM 0 HB2 LYS A 13 -2.374 -0.001 -11.553 1.00 45.52 H new ATOM 0 HB3 LYS A 13 -2.051 -0.989 -10.142 1.00 45.52 H new ATOM 0 HG2 LYS A 13 -3.162 0.867 -8.755 1.00 1.34 H new ATOM 0 HG3 LYS A 13 -3.690 1.558 -10.277 1.00 1.34 H new ATOM 0 HD2 LYS A 13 -4.317 -1.255 -9.291 1.00 21.43 H new ATOM 0 HD3 LYS A 13 -5.429 0.100 -9.289 1.00 21.43 H new ATOM 0 HE2 LYS A 13 -5.440 0.204 -11.710 1.00 70.12 H new ATOM 0 HE3 LYS A 13 -4.109 -0.930 -11.826 1.00 70.12 H new ATOM 0 HZ1 LYS A 13 -6.217 -2.004 -12.280 1.00 42.21 H new ATOM 0 HZ2 LYS A 13 -5.528 -2.652 -10.869 1.00 42.21 H new ATOM 0 HZ3 LYS A 13 -6.818 -1.553 -10.757 1.00 42.21 H new ATOM 188 N PHE A 14 -1.148 3.234 -10.077 1.00 0.33 N ATOM 189 CA PHE A 14 -1.243 4.596 -10.589 1.00 34.43 C ATOM 190 C PHE A 14 -0.461 5.565 -9.706 1.00 61.33 C ATOM 191 O PHE A 14 0.156 5.163 -8.721 1.00 11.55 O ATOM 192 CB PHE A 14 -2.709 5.031 -10.669 1.00 0.23 C ATOM 193 CG PHE A 14 -3.569 4.092 -11.465 1.00 62.00 C ATOM 194 CD1 PHE A 14 -3.195 3.701 -12.741 1.00 34.32 C ATOM 195 CD2 PHE A 14 -4.753 3.601 -10.939 1.00 33.03 C ATOM 196 CE1 PHE A 14 -3.986 2.839 -13.476 1.00 61.02 C ATOM 197 CE2 PHE A 14 -5.547 2.737 -11.669 1.00 71.11 C ATOM 198 CZ PHE A 14 -5.162 2.355 -12.939 1.00 71.44 C ATOM 0 H PHE A 14 -1.213 3.160 -9.062 1.00 0.33 H new ATOM 0 HA PHE A 14 -0.810 4.613 -11.589 1.00 34.43 H new ATOM 0 HB2 PHE A 14 -3.111 5.112 -9.659 1.00 0.23 H new ATOM 0 HB3 PHE A 14 -2.761 6.025 -11.114 1.00 0.23 H new ATOM 0 HD1 PHE A 14 -2.275 4.074 -13.166 1.00 34.32 H new ATOM 0 HD2 PHE A 14 -5.059 3.897 -9.947 1.00 33.03 H new ATOM 0 HE1 PHE A 14 -3.684 2.544 -14.470 1.00 61.02 H new ATOM 0 HE2 PHE A 14 -6.467 2.361 -11.247 1.00 71.11 H new ATOM 0 HZ PHE A 14 -5.780 1.679 -13.511 1.00 71.44 H new ATOM 208 N ASP A 15 -0.493 6.843 -10.069 1.00 24.13 N ATOM 209 CA ASP A 15 0.213 7.870 -9.312 1.00 35.40 C ATOM 210 C ASP A 15 -0.759 8.678 -8.457 1.00 4.23 C ATOM 211 O ASP A 15 -1.853 9.025 -8.902 1.00 63.45 O ATOM 212 CB ASP A 15 0.972 8.800 -10.258 1.00 62.15 C ATOM 213 CG ASP A 15 0.151 10.007 -10.668 1.00 51.31 C ATOM 214 OD1 ASP A 15 -0.500 9.949 -11.732 1.00 23.34 O ATOM 215 OD2 ASP A 15 0.159 11.009 -9.923 1.00 42.35 O ATOM 0 H ASP A 15 -1.000 7.192 -10.882 1.00 24.13 H new ATOM 0 HA ASP A 15 0.926 7.375 -8.652 1.00 35.40 H new ATOM 0 HB2 ASP A 15 1.889 9.136 -9.774 1.00 62.15 H new ATOM 0 HB3 ASP A 15 1.267 8.245 -11.149 1.00 62.15 H new ATOM 221 N TYR A 16 -0.353 8.971 -7.227 1.00 53.11 N ATOM 222 CA TYR A 16 -1.189 9.735 -6.308 1.00 11.15 C ATOM 223 C TYR A 16 -0.341 10.666 -5.447 1.00 32.01 C ATOM 224 O TYR A 16 0.809 10.363 -5.131 1.00 12.43 O ATOM 225 CB TYR A 16 -1.997 8.791 -5.416 1.00 10.43 C ATOM 226 CG TYR A 16 -2.447 9.421 -4.117 1.00 63.55 C ATOM 227 CD1 TYR A 16 -3.618 10.166 -4.054 1.00 20.34 C ATOM 228 CD2 TYR A 16 -1.701 9.273 -2.955 1.00 62.23 C ATOM 229 CE1 TYR A 16 -4.034 10.744 -2.870 1.00 14.12 C ATOM 230 CE2 TYR A 16 -2.109 9.847 -1.766 1.00 22.14 C ATOM 231 CZ TYR A 16 -3.276 10.582 -1.729 1.00 4.33 C ATOM 232 OH TYR A 16 -3.686 11.155 -0.547 1.00 10.00 O ATOM 0 H TYR A 16 0.550 8.691 -6.843 1.00 53.11 H new ATOM 0 HA TYR A 16 -1.875 10.341 -6.899 1.00 11.15 H new ATOM 0 HB2 TYR A 16 -2.873 8.447 -5.966 1.00 10.43 H new ATOM 0 HB3 TYR A 16 -1.394 7.911 -5.193 1.00 10.43 H new ATOM 0 HD1 TYR A 16 -4.213 10.296 -4.946 1.00 20.34 H new ATOM 0 HD2 TYR A 16 -0.786 8.699 -2.981 1.00 62.23 H new ATOM 0 HE1 TYR A 16 -4.947 11.319 -2.838 1.00 14.12 H new ATOM 0 HE2 TYR A 16 -1.518 9.721 -0.871 1.00 22.14 H new ATOM 0 HH TYR A 16 -4.625 10.928 -0.382 1.00 10.00 H new ATOM 242 N VAL A 17 -0.919 11.802 -5.069 1.00 34.33 N ATOM 243 CA VAL A 17 -0.220 12.778 -4.242 1.00 70.04 C ATOM 244 C VAL A 17 -0.880 12.913 -2.874 1.00 52.55 C ATOM 245 O VAL A 17 -1.981 13.449 -2.756 1.00 22.11 O ATOM 246 CB VAL A 17 -0.180 14.161 -4.919 1.00 45.44 C ATOM 247 CG1 VAL A 17 0.562 15.162 -4.046 1.00 25.21 C ATOM 248 CG2 VAL A 17 0.464 14.061 -6.294 1.00 60.44 C ATOM 0 H VAL A 17 -1.870 12.069 -5.323 1.00 34.33 H new ATOM 0 HA VAL A 17 0.799 12.414 -4.116 1.00 70.04 H new ATOM 0 HB VAL A 17 -1.203 14.514 -5.046 1.00 45.44 H new ATOM 0 HG11 VAL A 17 0.580 16.133 -4.541 1.00 25.21 H new ATOM 0 HG12 VAL A 17 0.055 15.253 -3.086 1.00 25.21 H new ATOM 0 HG13 VAL A 17 1.584 14.818 -3.885 1.00 25.21 H new ATOM 0 HG21 VAL A 17 0.484 15.047 -6.759 1.00 60.44 H new ATOM 0 HG22 VAL A 17 1.483 13.687 -6.192 1.00 60.44 H new ATOM 0 HG23 VAL A 17 -0.113 13.378 -6.917 1.00 60.44 H new ATOM 258 N ALA A 18 -0.198 12.425 -1.843 1.00 50.22 N ATOM 259 CA ALA A 18 -0.717 12.494 -0.483 1.00 44.42 C ATOM 260 C ALA A 18 -1.234 13.892 -0.163 1.00 21.42 C ATOM 261 O ALA A 18 -0.491 14.742 0.327 1.00 42.43 O ATOM 262 CB ALA A 18 0.360 12.087 0.513 1.00 20.34 C ATOM 0 H ALA A 18 0.715 11.978 -1.924 1.00 50.22 H new ATOM 0 HA ALA A 18 -1.553 11.799 -0.403 1.00 44.42 H new ATOM 0 HB1 ALA A 18 -0.041 12.143 1.525 1.00 20.34 H new ATOM 0 HB2 ALA A 18 0.680 11.066 0.305 1.00 20.34 H new ATOM 0 HB3 ALA A 18 1.212 12.760 0.423 1.00 20.34 H new ATOM 268 N GLN A 19 -2.513 14.123 -0.443 1.00 40.42 N ATOM 269 CA GLN A 19 -3.129 15.419 -0.185 1.00 43.43 C ATOM 270 C GLN A 19 -2.744 15.941 1.195 1.00 44.12 C ATOM 271 O GLN A 19 -2.042 16.945 1.316 1.00 72.43 O ATOM 272 CB GLN A 19 -4.650 15.316 -0.299 1.00 71.40 C ATOM 273 CG GLN A 19 -5.242 16.206 -1.380 1.00 73.13 C ATOM 274 CD GLN A 19 -5.053 15.637 -2.772 1.00 73.03 C ATOM 275 OE1 GLN A 19 -5.854 14.826 -3.238 1.00 14.11 O ATOM 276 NE2 GLN A 19 -3.991 16.062 -3.446 1.00 43.32 N ATOM 0 H GLN A 19 -3.142 13.430 -0.848 1.00 40.42 H new ATOM 0 HA GLN A 19 -2.763 16.122 -0.933 1.00 43.43 H new ATOM 0 HB2 GLN A 19 -4.921 14.280 -0.504 1.00 71.40 H new ATOM 0 HB3 GLN A 19 -5.096 15.578 0.660 1.00 71.40 H new ATOM 0 HG2 GLN A 19 -6.306 16.344 -1.189 1.00 73.13 H new ATOM 0 HG3 GLN A 19 -4.779 17.191 -1.328 1.00 73.13 H new ATOM 0 HE21 GLN A 19 -3.353 16.735 -3.021 1.00 43.32 H new ATOM 0 HE22 GLN A 19 -3.813 15.716 -4.389 1.00 43.32 H new ATOM 285 N GLN A 20 -3.206 15.251 2.233 1.00 20.52 N ATOM 286 CA GLN A 20 -2.911 15.646 3.605 1.00 72.22 C ATOM 287 C GLN A 20 -1.462 15.333 3.961 1.00 1.53 C ATOM 288 O GLN A 20 -0.867 14.402 3.419 1.00 42.43 O ATOM 289 CB GLN A 20 -3.853 14.933 4.577 1.00 51.43 C ATOM 290 CG GLN A 20 -4.722 15.881 5.387 1.00 73.44 C ATOM 291 CD GLN A 20 -5.700 15.152 6.286 1.00 75.35 C ATOM 292 OE1 GLN A 20 -5.345 14.174 6.944 1.00 34.03 O ATOM 293 NE2 GLN A 20 -6.941 15.626 6.320 1.00 41.41 N ATOM 0 H GLN A 20 -3.786 14.416 2.150 1.00 20.52 H new ATOM 0 HA GLN A 20 -3.062 16.722 3.688 1.00 72.22 H new ATOM 0 HB2 GLN A 20 -4.495 14.254 4.016 1.00 51.43 H new ATOM 0 HB3 GLN A 20 -3.263 14.322 5.260 1.00 51.43 H new ATOM 0 HG2 GLN A 20 -4.084 16.522 5.995 1.00 73.44 H new ATOM 0 HG3 GLN A 20 -5.274 16.531 4.708 1.00 73.44 H new ATOM 0 HE21 GLN A 20 -7.192 16.439 5.758 1.00 41.41 H new ATOM 0 HE22 GLN A 20 -7.643 15.176 6.908 1.00 41.41 H new ATOM 302 N GLU A 21 -0.900 16.116 4.876 1.00 44.21 N ATOM 303 CA GLU A 21 0.481 15.922 5.303 1.00 14.21 C ATOM 304 C GLU A 21 0.652 14.574 5.998 1.00 32.14 C ATOM 305 O GLU A 21 1.772 14.118 6.225 1.00 60.13 O ATOM 306 CB GLU A 21 0.911 17.050 6.243 1.00 0.20 C ATOM 307 CG GLU A 21 0.076 17.140 7.508 1.00 32.34 C ATOM 308 CD GLU A 21 -0.725 18.426 7.589 1.00 3.51 C ATOM 309 OE1 GLU A 21 -1.857 18.454 7.063 1.00 3.33 O ATOM 310 OE2 GLU A 21 -0.218 19.404 8.178 1.00 34.33 O ATOM 0 H GLU A 21 -1.379 16.890 5.336 1.00 44.21 H new ATOM 0 HA GLU A 21 1.114 15.937 4.415 1.00 14.21 H new ATOM 0 HB2 GLU A 21 1.956 16.904 6.517 1.00 0.20 H new ATOM 0 HB3 GLU A 21 0.851 17.999 5.710 1.00 0.20 H new ATOM 0 HG2 GLU A 21 -0.604 16.289 7.551 1.00 32.34 H new ATOM 0 HG3 GLU A 21 0.731 17.069 8.377 1.00 32.34 H new ATOM 318 N GLN A 22 -0.469 13.942 6.334 1.00 75.44 N ATOM 319 CA GLN A 22 -0.444 12.647 7.004 1.00 62.35 C ATOM 320 C GLN A 22 -0.348 11.512 5.991 1.00 72.43 C ATOM 321 O GLN A 22 0.301 10.498 6.241 1.00 2.31 O ATOM 322 CB GLN A 22 -1.695 12.473 7.867 1.00 0.32 C ATOM 323 CG GLN A 22 -1.661 11.229 8.742 1.00 64.20 C ATOM 324 CD GLN A 22 -1.969 11.530 10.195 1.00 22.35 C ATOM 325 OE1 GLN A 22 -1.071 11.568 11.037 1.00 42.42 O ATOM 326 NE2 GLN A 22 -3.244 11.744 10.498 1.00 20.04 N ATOM 0 H GLN A 22 -1.405 14.306 6.153 1.00 75.44 H new ATOM 0 HA GLN A 22 0.438 12.613 7.644 1.00 62.35 H new ATOM 0 HB2 GLN A 22 -1.814 13.351 8.502 1.00 0.32 H new ATOM 0 HB3 GLN A 22 -2.570 12.428 7.219 1.00 0.32 H new ATOM 0 HG2 GLN A 22 -2.382 10.504 8.364 1.00 64.20 H new ATOM 0 HG3 GLN A 22 -0.677 10.766 8.671 1.00 64.20 H new ATOM 0 HE21 GLN A 22 -3.955 11.703 9.768 1.00 20.04 H new ATOM 0 HE22 GLN A 22 -3.512 11.950 11.460 1.00 20.04 H new ATOM 335 N GLU A 23 -1.000 11.690 4.846 1.00 34.31 N ATOM 336 CA GLU A 23 -0.990 10.679 3.796 1.00 4.42 C ATOM 337 C GLU A 23 0.409 10.522 3.206 1.00 44.23 C ATOM 338 O GLU A 23 1.263 11.397 3.362 1.00 25.42 O ATOM 339 CB GLU A 23 -1.982 11.047 2.692 1.00 62.42 C ATOM 340 CG GLU A 23 -3.433 11.026 3.145 1.00 40.52 C ATOM 341 CD GLU A 23 -4.359 11.728 2.170 1.00 12.44 C ATOM 342 OE1 GLU A 23 -3.889 12.643 1.462 1.00 24.43 O ATOM 343 OE2 GLU A 23 -5.551 11.363 2.117 1.00 33.41 O ATOM 0 H GLU A 23 -1.542 12.525 4.622 1.00 34.31 H new ATOM 0 HA GLU A 23 -1.288 9.729 4.240 1.00 4.42 H new ATOM 0 HB2 GLU A 23 -1.742 12.042 2.316 1.00 62.42 H new ATOM 0 HB3 GLU A 23 -1.860 10.354 1.860 1.00 62.42 H new ATOM 0 HG2 GLU A 23 -3.757 9.992 3.267 1.00 40.52 H new ATOM 0 HG3 GLU A 23 -3.512 11.503 4.122 1.00 40.52 H new ATOM 351 N LEU A 24 0.638 9.402 2.529 1.00 20.44 N ATOM 352 CA LEU A 24 1.933 9.129 1.915 1.00 32.42 C ATOM 353 C LEU A 24 1.857 9.267 0.399 1.00 61.34 C ATOM 354 O LEU A 24 0.800 9.063 -0.201 1.00 54.33 O ATOM 355 CB LEU A 24 2.410 7.724 2.288 1.00 35.42 C ATOM 356 CG LEU A 24 3.781 7.638 2.960 1.00 64.10 C ATOM 357 CD1 LEU A 24 4.133 6.191 3.269 1.00 65.11 C ATOM 358 CD2 LEU A 24 4.848 8.271 2.077 1.00 20.21 C ATOM 0 H LEU A 24 -0.057 8.668 2.391 1.00 20.44 H new ATOM 0 HA LEU A 24 2.648 9.861 2.292 1.00 32.42 H new ATOM 0 HB2 LEU A 24 1.672 7.276 2.954 1.00 35.42 H new ATOM 0 HB3 LEU A 24 2.432 7.117 1.383 1.00 35.42 H new ATOM 0 HG LEU A 24 3.740 8.190 3.899 1.00 64.10 H new ATOM 0 HD11 LEU A 24 5.112 6.149 3.747 1.00 65.11 H new ATOM 0 HD12 LEU A 24 3.384 5.769 3.939 1.00 65.11 H new ATOM 0 HD13 LEU A 24 4.156 5.616 2.343 1.00 65.11 H new ATOM 0 HD21 LEU A 24 5.817 8.201 2.571 1.00 20.21 H new ATOM 0 HD22 LEU A 24 4.888 7.747 1.122 1.00 20.21 H new ATOM 0 HD23 LEU A 24 4.603 9.319 1.905 1.00 20.21 H new ATOM 370 N ASP A 25 2.983 9.612 -0.216 1.00 63.11 N ATOM 371 CA ASP A 25 3.045 9.774 -1.665 1.00 12.15 C ATOM 372 C ASP A 25 3.368 8.448 -2.346 1.00 33.15 C ATOM 373 O ASP A 25 4.226 7.695 -1.885 1.00 63.34 O ATOM 374 CB ASP A 25 4.095 10.821 -2.037 1.00 32.30 C ATOM 375 CG ASP A 25 5.505 10.367 -1.718 1.00 51.51 C ATOM 376 OD1 ASP A 25 6.355 10.382 -2.634 1.00 30.13 O ATOM 377 OD2 ASP A 25 5.760 9.998 -0.554 1.00 13.24 O ATOM 0 H ASP A 25 3.865 9.785 0.266 1.00 63.11 H new ATOM 0 HA ASP A 25 2.068 10.111 -2.011 1.00 12.15 H new ATOM 0 HB2 ASP A 25 4.020 11.044 -3.101 1.00 32.30 H new ATOM 0 HB3 ASP A 25 3.885 11.747 -1.502 1.00 32.30 H new ATOM 383 N ILE A 26 2.673 8.168 -3.444 1.00 12.24 N ATOM 384 CA ILE A 26 2.886 6.933 -4.187 1.00 63.24 C ATOM 385 C ILE A 26 3.356 7.222 -5.609 1.00 52.14 C ATOM 386 O ILE A 26 3.495 8.379 -6.007 1.00 74.50 O ATOM 387 CB ILE A 26 1.604 6.082 -4.246 1.00 72.02 C ATOM 388 CG1 ILE A 26 0.765 6.469 -5.466 1.00 5.04 C ATOM 389 CG2 ILE A 26 0.797 6.252 -2.967 1.00 33.12 C ATOM 390 CD1 ILE A 26 -0.545 5.718 -5.560 1.00 62.54 C ATOM 0 H ILE A 26 1.958 8.780 -3.838 1.00 12.24 H new ATOM 0 HA ILE A 26 3.658 6.375 -3.657 1.00 63.24 H new ATOM 0 HB ILE A 26 1.885 5.033 -4.339 1.00 72.02 H new ATOM 0 HG12 ILE A 26 0.560 7.539 -5.431 1.00 5.04 H new ATOM 0 HG13 ILE A 26 1.346 6.285 -6.370 1.00 5.04 H new ATOM 0 HG21 ILE A 26 -0.106 5.645 -3.023 1.00 33.12 H new ATOM 0 HG22 ILE A 26 1.396 5.933 -2.114 1.00 33.12 H new ATOM 0 HG23 ILE A 26 0.523 7.300 -2.847 1.00 33.12 H new ATOM 0 HD11 ILE A 26 -1.087 6.042 -6.448 1.00 62.54 H new ATOM 0 HD12 ILE A 26 -0.347 4.648 -5.626 1.00 62.54 H new ATOM 0 HD13 ILE A 26 -1.146 5.922 -4.673 1.00 62.54 H new ATOM 402 N LYS A 27 3.599 6.162 -6.374 1.00 35.54 N ATOM 403 CA LYS A 27 4.051 6.301 -7.753 1.00 24.41 C ATOM 404 C LYS A 27 3.614 5.103 -8.590 1.00 24.13 C ATOM 405 O LYS A 27 3.638 3.963 -8.124 1.00 40.44 O ATOM 406 CB LYS A 27 5.574 6.441 -7.801 1.00 75.51 C ATOM 407 CG LYS A 27 6.150 6.341 -9.203 1.00 14.02 C ATOM 408 CD LYS A 27 5.731 7.521 -10.064 1.00 54.13 C ATOM 409 CE LYS A 27 6.249 8.836 -9.498 1.00 4.15 C ATOM 410 NZ LYS A 27 6.422 9.865 -10.558 1.00 73.14 N ATOM 0 H LYS A 27 3.490 5.197 -6.061 1.00 35.54 H new ATOM 0 HA LYS A 27 3.597 7.200 -8.170 1.00 24.41 H new ATOM 0 HB2 LYS A 27 5.856 7.401 -7.369 1.00 75.51 H new ATOM 0 HB3 LYS A 27 6.021 5.667 -7.177 1.00 75.51 H new ATOM 0 HG2 LYS A 27 7.238 6.298 -9.148 1.00 14.02 H new ATOM 0 HG3 LYS A 27 5.817 5.413 -9.669 1.00 14.02 H new ATOM 0 HD2 LYS A 27 6.109 7.386 -11.077 1.00 54.13 H new ATOM 0 HD3 LYS A 27 4.644 7.556 -10.131 1.00 54.13 H new ATOM 0 HE2 LYS A 27 5.555 9.205 -8.743 1.00 4.15 H new ATOM 0 HE3 LYS A 27 7.202 8.666 -8.998 1.00 4.15 H new ATOM 0 HZ1 LYS A 27 6.776 10.746 -10.133 1.00 73.14 H new ATOM 0 HZ2 LYS A 27 7.104 9.524 -11.265 1.00 73.14 H new ATOM 0 HZ3 LYS A 27 5.507 10.046 -11.018 1.00 73.14 H new ATOM 424 N LYS A 28 3.216 5.367 -9.830 1.00 21.11 N ATOM 425 CA LYS A 28 2.776 4.311 -10.734 1.00 41.45 C ATOM 426 C LYS A 28 3.798 3.179 -10.788 1.00 54.12 C ATOM 427 O LYS A 28 4.928 3.372 -11.233 1.00 41.13 O ATOM 428 CB LYS A 28 2.552 4.876 -12.139 1.00 64.40 C ATOM 429 CG LYS A 28 2.280 3.810 -13.187 1.00 3.44 C ATOM 430 CD LYS A 28 1.359 4.325 -14.280 1.00 4.13 C ATOM 431 CE LYS A 28 1.434 3.456 -15.527 1.00 71.32 C ATOM 432 NZ LYS A 28 1.933 4.220 -16.705 1.00 4.15 N ATOM 0 H LYS A 28 3.189 6.304 -10.232 1.00 21.11 H new ATOM 0 HA LYS A 28 1.836 3.911 -10.354 1.00 41.45 H new ATOM 0 HB2 LYS A 28 1.712 5.570 -12.113 1.00 64.40 H new ATOM 0 HB3 LYS A 28 3.430 5.449 -12.435 1.00 64.40 H new ATOM 0 HG2 LYS A 28 3.222 3.483 -13.628 1.00 3.44 H new ATOM 0 HG3 LYS A 28 1.831 2.938 -12.712 1.00 3.44 H new ATOM 0 HD2 LYS A 28 0.333 4.348 -13.912 1.00 4.13 H new ATOM 0 HD3 LYS A 28 1.630 5.350 -14.533 1.00 4.13 H new ATOM 0 HE2 LYS A 28 2.091 2.607 -15.339 1.00 71.32 H new ATOM 0 HE3 LYS A 28 0.446 3.051 -15.748 1.00 71.32 H new ATOM 0 HZ1 LYS A 28 1.970 3.594 -17.535 1.00 4.15 H new ATOM 0 HZ2 LYS A 28 1.292 5.015 -16.900 1.00 4.15 H new ATOM 0 HZ3 LYS A 28 2.886 4.585 -16.504 1.00 4.15 H new ATOM 446 N ASN A 29 3.391 2.000 -10.330 1.00 41.30 N ATOM 447 CA ASN A 29 4.272 0.837 -10.326 1.00 2.02 C ATOM 448 C ASN A 29 5.273 0.917 -9.178 1.00 4.14 C ATOM 449 O ASN A 29 6.450 0.596 -9.344 1.00 24.24 O ATOM 450 CB ASN A 29 5.015 0.730 -11.660 1.00 11.52 C ATOM 451 CG ASN A 29 4.840 -0.629 -12.312 1.00 55.11 C ATOM 452 OD1 ASN A 29 5.645 -1.537 -12.105 1.00 52.04 O ATOM 453 ND2 ASN A 29 3.784 -0.773 -13.103 1.00 64.23 N ATOM 0 H ASN A 29 2.458 1.824 -9.957 1.00 41.30 H new ATOM 0 HA ASN A 29 3.658 -0.053 -10.187 1.00 2.02 H new ATOM 0 HB2 ASN A 29 4.654 1.504 -12.337 1.00 11.52 H new ATOM 0 HB3 ASN A 29 6.076 0.918 -11.498 1.00 11.52 H new ATOM 0 HD21 ASN A 29 3.613 -1.664 -13.569 1.00 64.23 H new ATOM 0 HD22 ASN A 29 3.143 0.008 -13.245 1.00 64.23 H new ATOM 460 N GLU A 30 4.798 1.346 -8.013 1.00 22.40 N ATOM 461 CA GLU A 30 5.651 1.468 -6.838 1.00 12.03 C ATOM 462 C GLU A 30 5.230 0.479 -5.755 1.00 74.22 C ATOM 463 O GLU A 30 4.084 0.487 -5.304 1.00 15.21 O ATOM 464 CB GLU A 30 5.601 2.895 -6.290 1.00 15.15 C ATOM 465 CG GLU A 30 6.701 3.201 -5.287 1.00 52.23 C ATOM 466 CD GLU A 30 6.977 4.687 -5.159 1.00 32.52 C ATOM 467 OE1 GLU A 30 7.859 5.191 -5.885 1.00 1.21 O ATOM 468 OE2 GLU A 30 6.310 5.345 -4.332 1.00 12.51 O ATOM 0 H GLU A 30 3.826 1.615 -7.858 1.00 22.40 H new ATOM 0 HA GLU A 30 6.674 1.238 -7.137 1.00 12.03 H new ATOM 0 HB2 GLU A 30 5.673 3.597 -7.121 1.00 15.15 H new ATOM 0 HB3 GLU A 30 4.633 3.060 -5.817 1.00 15.15 H new ATOM 0 HG2 GLU A 30 6.420 2.802 -4.312 1.00 52.23 H new ATOM 0 HG3 GLU A 30 7.615 2.690 -5.589 1.00 52.23 H new ATOM 476 N ARG A 31 6.164 -0.371 -5.343 1.00 15.43 N ATOM 477 CA ARG A 31 5.890 -1.367 -4.313 1.00 60.51 C ATOM 478 C ARG A 31 6.009 -0.757 -2.921 1.00 13.23 C ATOM 479 O ARG A 31 7.056 -0.221 -2.553 1.00 55.11 O ATOM 480 CB ARG A 31 6.852 -2.548 -4.448 1.00 25.12 C ATOM 481 CG ARG A 31 6.902 -3.136 -5.849 1.00 4.33 C ATOM 482 CD ARG A 31 5.796 -4.158 -6.065 1.00 52.24 C ATOM 483 NE ARG A 31 6.328 -5.477 -6.397 1.00 30.24 N ATOM 484 CZ ARG A 31 6.705 -6.368 -5.486 1.00 32.53 C ATOM 485 NH1 ARG A 31 6.609 -6.082 -4.194 1.00 63.43 N ATOM 486 NH2 ARG A 31 7.178 -7.547 -5.866 1.00 1.25 N ATOM 0 H ARG A 31 7.117 -0.391 -5.706 1.00 15.43 H new ATOM 0 HA ARG A 31 4.868 -1.722 -4.449 1.00 60.51 H new ATOM 0 HB2 ARG A 31 7.853 -2.225 -4.163 1.00 25.12 H new ATOM 0 HB3 ARG A 31 6.557 -3.328 -3.746 1.00 25.12 H new ATOM 0 HG2 ARG A 31 6.808 -2.336 -6.584 1.00 4.33 H new ATOM 0 HG3 ARG A 31 7.871 -3.607 -6.012 1.00 4.33 H new ATOM 0 HD2 ARG A 31 5.187 -4.229 -5.164 1.00 52.24 H new ATOM 0 HD3 ARG A 31 5.140 -3.819 -6.867 1.00 52.24 H new ATOM 0 HE ARG A 31 6.415 -5.728 -7.382 1.00 30.24 H new ATOM 0 HH11 ARG A 31 6.245 -5.176 -3.898 1.00 63.43 H new ATOM 0 HH12 ARG A 31 6.899 -6.768 -3.497 1.00 63.43 H new ATOM 0 HH21 ARG A 31 7.253 -7.771 -6.858 1.00 1.25 H new ATOM 0 HH22 ARG A 31 7.467 -8.230 -5.166 1.00 1.25 H new ATOM 500 N LEU A 32 4.931 -0.841 -2.149 1.00 1.52 N ATOM 501 CA LEU A 32 4.915 -0.297 -0.795 1.00 2.10 C ATOM 502 C LEU A 32 4.631 -1.391 0.229 1.00 1.43 C ATOM 503 O LEU A 32 4.176 -2.480 -0.123 1.00 11.05 O ATOM 504 CB LEU A 32 3.864 0.808 -0.682 1.00 30.42 C ATOM 505 CG LEU A 32 4.188 2.120 -1.396 1.00 65.04 C ATOM 506 CD1 LEU A 32 5.543 2.649 -0.951 1.00 74.22 C ATOM 507 CD2 LEU A 32 4.158 1.927 -2.906 1.00 13.31 C ATOM 0 H LEU A 32 4.057 -1.280 -2.437 1.00 1.52 H new ATOM 0 HA LEU A 32 5.899 0.122 -0.587 1.00 2.10 H new ATOM 0 HB2 LEU A 32 2.922 0.427 -1.076 1.00 30.42 H new ATOM 0 HB3 LEU A 32 3.704 1.023 0.375 1.00 30.42 H new ATOM 0 HG LEU A 32 3.428 2.855 -1.129 1.00 65.04 H new ATOM 0 HD11 LEU A 32 5.757 3.584 -1.470 1.00 74.22 H new ATOM 0 HD12 LEU A 32 5.529 2.826 0.124 1.00 74.22 H new ATOM 0 HD13 LEU A 32 6.315 1.917 -1.189 1.00 74.22 H new ATOM 0 HD21 LEU A 32 4.391 2.871 -3.398 1.00 13.31 H new ATOM 0 HD22 LEU A 32 4.896 1.177 -3.192 1.00 13.31 H new ATOM 0 HD23 LEU A 32 3.166 1.594 -3.211 1.00 13.31 H new ATOM 519 N TRP A 33 4.902 -1.095 1.494 1.00 34.11 N ATOM 520 CA TRP A 33 4.673 -2.054 2.570 1.00 54.33 C ATOM 521 C TRP A 33 3.390 -1.728 3.326 1.00 5.50 C ATOM 522 O TRP A 33 3.312 -0.724 4.033 1.00 12.41 O ATOM 523 CB TRP A 33 5.860 -2.060 3.535 1.00 73.01 C ATOM 524 CG TRP A 33 7.148 -2.477 2.891 1.00 72.44 C ATOM 525 CD1 TRP A 33 7.634 -3.749 2.776 1.00 72.52 C ATOM 526 CD2 TRP A 33 8.115 -1.619 2.274 1.00 71.30 C ATOM 527 NE1 TRP A 33 8.844 -3.733 2.126 1.00 64.34 N ATOM 528 CE2 TRP A 33 9.160 -2.439 1.806 1.00 41.11 C ATOM 529 CE3 TRP A 33 8.197 -0.240 2.069 1.00 62.55 C ATOM 530 CZ2 TRP A 33 10.274 -1.922 1.149 1.00 62.31 C ATOM 531 CZ3 TRP A 33 9.303 0.272 1.416 1.00 73.42 C ATOM 532 CH2 TRP A 33 10.329 -0.568 0.962 1.00 60.34 C ATOM 0 H TRP A 33 5.281 -0.199 1.801 1.00 34.11 H new ATOM 0 HA TRP A 33 4.569 -3.044 2.125 1.00 54.33 H new ATOM 0 HB2 TRP A 33 5.980 -1.063 3.958 1.00 73.01 H new ATOM 0 HB3 TRP A 33 5.642 -2.734 4.364 1.00 73.01 H new ATOM 0 HD1 TRP A 33 7.139 -4.636 3.142 1.00 72.52 H new ATOM 0 HE1 TRP A 33 9.415 -4.552 1.916 1.00 64.34 H new ATOM 0 HE3 TRP A 33 7.411 0.415 2.414 1.00 62.55 H new ATOM 0 HZ2 TRP A 33 11.066 -2.567 0.800 1.00 62.31 H new ATOM 0 HZ3 TRP A 33 9.378 1.337 1.253 1.00 73.42 H new ATOM 0 HH2 TRP A 33 11.180 -0.138 0.455 1.00 60.34 H new ATOM 543 N LEU A 34 2.385 -2.584 3.171 1.00 43.22 N ATOM 544 CA LEU A 34 1.103 -2.387 3.839 1.00 50.22 C ATOM 545 C LEU A 34 1.221 -2.665 5.335 1.00 2.12 C ATOM 546 O LEU A 34 1.644 -3.748 5.744 1.00 73.20 O ATOM 547 CB LEU A 34 0.040 -3.296 3.222 1.00 62.54 C ATOM 548 CG LEU A 34 -1.403 -3.030 3.653 1.00 31.13 C ATOM 549 CD1 LEU A 34 -1.934 -1.769 2.989 1.00 62.50 C ATOM 550 CD2 LEU A 34 -2.288 -4.223 3.322 1.00 10.13 C ATOM 0 H LEU A 34 2.433 -3.420 2.589 1.00 43.22 H new ATOM 0 HA LEU A 34 0.806 -1.347 3.704 1.00 50.22 H new ATOM 0 HB2 LEU A 34 0.097 -3.204 2.137 1.00 62.54 H new ATOM 0 HB3 LEU A 34 0.287 -4.329 3.468 1.00 62.54 H new ATOM 0 HG LEU A 34 -1.418 -2.882 4.733 1.00 31.13 H new ATOM 0 HD11 LEU A 34 -2.962 -1.595 3.307 1.00 62.50 H new ATOM 0 HD12 LEU A 34 -1.316 -0.918 3.277 1.00 62.50 H new ATOM 0 HD13 LEU A 34 -1.905 -1.888 1.906 1.00 62.50 H new ATOM 0 HD21 LEU A 34 -3.311 -4.015 3.636 1.00 10.13 H new ATOM 0 HD22 LEU A 34 -2.268 -4.404 2.247 1.00 10.13 H new ATOM 0 HD23 LEU A 34 -1.920 -5.105 3.845 1.00 10.13 H new ATOM 562 N LEU A 35 0.844 -1.683 6.145 1.00 23.32 N ATOM 563 CA LEU A 35 0.905 -1.823 7.596 1.00 33.24 C ATOM 564 C LEU A 35 -0.485 -2.056 8.180 1.00 62.44 C ATOM 565 O LEU A 35 -0.748 -3.091 8.792 1.00 71.34 O ATOM 566 CB LEU A 35 1.530 -0.576 8.223 1.00 41.51 C ATOM 567 CG LEU A 35 2.994 -0.309 7.867 1.00 20.43 C ATOM 568 CD1 LEU A 35 3.427 1.056 8.377 1.00 21.51 C ATOM 569 CD2 LEU A 35 3.888 -1.402 8.435 1.00 40.41 C ATOM 0 H LEU A 35 0.493 -0.781 5.823 1.00 23.32 H new ATOM 0 HA LEU A 35 1.526 -2.689 7.826 1.00 33.24 H new ATOM 0 HB2 LEU A 35 0.940 0.291 7.925 1.00 41.51 H new ATOM 0 HB3 LEU A 35 1.449 -0.659 9.307 1.00 41.51 H new ATOM 0 HG LEU A 35 3.092 -0.315 6.781 1.00 20.43 H new ATOM 0 HD11 LEU A 35 4.471 1.228 8.114 1.00 21.51 H new ATOM 0 HD12 LEU A 35 2.806 1.828 7.922 1.00 21.51 H new ATOM 0 HD13 LEU A 35 3.315 1.092 9.461 1.00 21.51 H new ATOM 0 HD21 LEU A 35 4.926 -1.196 8.172 1.00 40.41 H new ATOM 0 HD22 LEU A 35 3.787 -1.428 9.520 1.00 40.41 H new ATOM 0 HD23 LEU A 35 3.593 -2.366 8.020 1.00 40.41 H new ATOM 581 N ASP A 36 -1.374 -1.087 7.983 1.00 55.43 N ATOM 582 CA ASP A 36 -2.738 -1.186 8.487 1.00 31.22 C ATOM 583 C ASP A 36 -3.748 -0.998 7.360 1.00 24.25 C ATOM 584 O ASP A 36 -3.891 0.097 6.817 1.00 23.40 O ATOM 585 CB ASP A 36 -2.978 -0.145 9.582 1.00 43.42 C ATOM 586 CG ASP A 36 -3.296 -0.778 10.922 1.00 12.14 C ATOM 587 OD1 ASP A 36 -2.850 -0.234 11.956 1.00 25.44 O ATOM 588 OD2 ASP A 36 -3.990 -1.815 10.939 1.00 31.51 O ATOM 0 H ASP A 36 -1.173 -0.224 7.477 1.00 55.43 H new ATOM 0 HA ASP A 36 -2.871 -2.182 8.909 1.00 31.22 H new ATOM 0 HB2 ASP A 36 -2.094 0.484 9.681 1.00 43.42 H new ATOM 0 HB3 ASP A 36 -3.801 0.506 9.286 1.00 43.42 H new ATOM 594 N ASP A 37 -4.446 -2.075 7.012 1.00 14.21 N ATOM 595 CA ASP A 37 -5.442 -2.029 5.949 1.00 23.31 C ATOM 596 C ASP A 37 -6.829 -2.366 6.490 1.00 40.32 C ATOM 597 O ASP A 37 -7.596 -3.088 5.853 1.00 72.11 O ATOM 598 CB ASP A 37 -5.069 -3.002 4.829 1.00 61.44 C ATOM 599 CG ASP A 37 -4.912 -4.425 5.325 1.00 61.31 C ATOM 600 OD1 ASP A 37 -5.290 -5.357 4.584 1.00 33.53 O ATOM 601 OD2 ASP A 37 -4.411 -4.608 6.454 1.00 62.25 O ATOM 0 H ASP A 37 -4.340 -2.989 7.451 1.00 14.21 H new ATOM 0 HA ASP A 37 -5.463 -1.016 5.548 1.00 23.31 H new ATOM 0 HB2 ASP A 37 -5.837 -2.973 4.056 1.00 61.44 H new ATOM 0 HB3 ASP A 37 -4.137 -2.677 4.365 1.00 61.44 H new ATOM 607 N SER A 38 -7.143 -1.838 7.668 1.00 44.04 N ATOM 608 CA SER A 38 -8.435 -2.086 8.297 1.00 64.25 C ATOM 609 C SER A 38 -9.380 -0.908 8.079 1.00 71.30 C ATOM 610 O SER A 38 -10.551 -1.089 7.743 1.00 25.11 O ATOM 611 CB SER A 38 -8.256 -2.340 9.795 1.00 22.32 C ATOM 612 OG SER A 38 -9.414 -2.941 10.351 1.00 55.31 O ATOM 0 H SER A 38 -6.521 -1.236 8.207 1.00 44.04 H new ATOM 0 HA SER A 38 -8.873 -2.971 7.835 1.00 64.25 H new ATOM 0 HB2 SER A 38 -7.393 -2.986 9.957 1.00 22.32 H new ATOM 0 HB3 SER A 38 -8.050 -1.399 10.305 1.00 22.32 H new ATOM 0 HG SER A 38 -9.275 -3.095 11.309 1.00 55.31 H new ATOM 618 N LYS A 39 -8.864 0.300 8.274 1.00 73.24 N ATOM 619 CA LYS A 39 -9.659 1.510 8.098 1.00 41.34 C ATOM 620 C LYS A 39 -9.846 1.829 6.618 1.00 4.31 C ATOM 621 O LYS A 39 -9.033 1.436 5.781 1.00 34.12 O ATOM 622 CB LYS A 39 -8.990 2.692 8.804 1.00 43.33 C ATOM 623 CG LYS A 39 -9.464 2.895 10.232 1.00 54.43 C ATOM 624 CD LYS A 39 -10.600 3.902 10.304 1.00 22.51 C ATOM 625 CE LYS A 39 -10.583 4.669 11.618 1.00 42.00 C ATOM 626 NZ LYS A 39 -11.301 3.936 12.697 1.00 25.42 N ATOM 0 H LYS A 39 -7.898 0.468 8.554 1.00 73.24 H new ATOM 0 HA LYS A 39 -10.640 1.337 8.541 1.00 41.34 H new ATOM 0 HB2 LYS A 39 -7.911 2.539 8.807 1.00 43.33 H new ATOM 0 HB3 LYS A 39 -9.182 3.601 8.234 1.00 43.33 H new ATOM 0 HG2 LYS A 39 -9.794 1.942 10.646 1.00 54.43 H new ATOM 0 HG3 LYS A 39 -8.632 3.239 10.847 1.00 54.43 H new ATOM 0 HD2 LYS A 39 -10.521 4.602 9.472 1.00 22.51 H new ATOM 0 HD3 LYS A 39 -11.553 3.385 10.196 1.00 22.51 H new ATOM 0 HE2 LYS A 39 -9.551 4.845 11.923 1.00 42.00 H new ATOM 0 HE3 LYS A 39 -11.044 5.646 11.474 1.00 42.00 H new ATOM 0 HZ1 LYS A 39 -11.267 4.491 13.576 1.00 25.42 H new ATOM 0 HZ2 LYS A 39 -12.292 3.790 12.418 1.00 25.42 H new ATOM 0 HZ3 LYS A 39 -10.846 3.014 12.852 1.00 25.42 H new ATOM 640 N SER A 40 -10.923 2.542 6.302 1.00 12.23 N ATOM 641 CA SER A 40 -11.218 2.910 4.923 1.00 53.45 C ATOM 642 C SER A 40 -9.932 3.168 4.142 1.00 14.33 C ATOM 643 O SER A 40 -9.757 2.669 3.030 1.00 35.33 O ATOM 644 CB SER A 40 -12.109 4.153 4.884 1.00 24.35 C ATOM 645 OG SER A 40 -12.767 4.270 3.634 1.00 40.43 O ATOM 0 H SER A 40 -11.605 2.876 6.983 1.00 12.23 H new ATOM 0 HA SER A 40 -11.746 2.078 4.456 1.00 53.45 H new ATOM 0 HB2 SER A 40 -12.848 4.100 5.684 1.00 24.35 H new ATOM 0 HB3 SER A 40 -11.506 5.043 5.066 1.00 24.35 H new ATOM 0 HG SER A 40 -13.331 5.071 3.635 1.00 40.43 H new ATOM 651 N TRP A 41 -9.037 3.951 4.733 1.00 1.13 N ATOM 652 CA TRP A 41 -7.767 4.276 4.094 1.00 0.44 C ATOM 653 C TRP A 41 -6.709 3.226 4.418 1.00 65.20 C ATOM 654 O TRP A 41 -6.432 2.952 5.585 1.00 53.30 O ATOM 655 CB TRP A 41 -7.285 5.657 4.543 1.00 24.43 C ATOM 656 CG TRP A 41 -8.074 6.783 3.947 1.00 40.23 C ATOM 657 CD1 TRP A 41 -9.370 7.112 4.224 1.00 74.40 C ATOM 658 CD2 TRP A 41 -7.618 7.728 2.971 1.00 1.04 C ATOM 659 NE1 TRP A 41 -9.747 8.204 3.480 1.00 62.14 N ATOM 660 CE2 TRP A 41 -8.690 8.601 2.704 1.00 25.15 C ATOM 661 CE3 TRP A 41 -6.408 7.921 2.300 1.00 24.04 C ATOM 662 CZ2 TRP A 41 -8.587 9.650 1.793 1.00 5.24 C ATOM 663 CZ3 TRP A 41 -6.307 8.961 1.396 1.00 52.11 C ATOM 664 CH2 TRP A 41 -7.391 9.815 1.150 1.00 41.50 C ATOM 0 H TRP A 41 -9.167 4.372 5.653 1.00 1.13 H new ATOM 0 HA TRP A 41 -7.924 4.286 3.015 1.00 0.44 H new ATOM 0 HB2 TRP A 41 -7.342 5.718 5.630 1.00 24.43 H new ATOM 0 HB3 TRP A 41 -6.236 5.774 4.271 1.00 24.43 H new ATOM 0 HD1 TRP A 41 -10.005 6.591 4.925 1.00 74.40 H new ATOM 0 HE1 TRP A 41 -10.665 8.647 3.502 1.00 62.14 H new ATOM 0 HE3 TRP A 41 -5.567 7.269 2.485 1.00 24.04 H new ATOM 0 HZ2 TRP A 41 -9.421 10.309 1.601 1.00 5.24 H new ATOM 0 HZ3 TRP A 41 -5.377 9.119 0.870 1.00 52.11 H new ATOM 0 HH2 TRP A 41 -7.280 10.620 0.438 1.00 41.50 H new ATOM 675 N TRP A 42 -6.124 2.642 3.379 1.00 41.33 N ATOM 676 CA TRP A 42 -5.097 1.622 3.554 1.00 44.32 C ATOM 677 C TRP A 42 -3.751 2.256 3.887 1.00 1.12 C ATOM 678 O TRP A 42 -3.123 2.886 3.036 1.00 20.13 O ATOM 679 CB TRP A 42 -4.974 0.771 2.289 1.00 3.04 C ATOM 680 CG TRP A 42 -5.900 -0.408 2.275 1.00 44.54 C ATOM 681 CD1 TRP A 42 -7.043 -0.562 3.006 1.00 44.33 C ATOM 682 CD2 TRP A 42 -5.759 -1.598 1.492 1.00 4.24 C ATOM 683 NE1 TRP A 42 -7.621 -1.775 2.724 1.00 25.33 N ATOM 684 CE2 TRP A 42 -6.854 -2.430 1.798 1.00 11.05 C ATOM 685 CE3 TRP A 42 -4.816 -2.043 0.561 1.00 75.14 C ATOM 686 CZ2 TRP A 42 -7.027 -3.679 1.207 1.00 62.50 C ATOM 687 CZ3 TRP A 42 -4.990 -3.282 -0.025 1.00 53.33 C ATOM 688 CH2 TRP A 42 -6.090 -4.088 0.299 1.00 45.51 C ATOM 0 H TRP A 42 -6.343 2.857 2.406 1.00 41.33 H new ATOM 0 HA TRP A 42 -5.393 0.983 4.386 1.00 44.32 H new ATOM 0 HB2 TRP A 42 -5.178 1.395 1.419 1.00 3.04 H new ATOM 0 HB3 TRP A 42 -3.947 0.419 2.195 1.00 3.04 H new ATOM 0 HD1 TRP A 42 -7.435 0.164 3.703 1.00 44.33 H new ATOM 0 HE1 TRP A 42 -8.483 -2.131 3.138 1.00 25.33 H new ATOM 0 HE3 TRP A 42 -3.966 -1.429 0.304 1.00 75.14 H new ATOM 0 HZ2 TRP A 42 -7.872 -4.303 1.457 1.00 62.50 H new ATOM 0 HZ3 TRP A 42 -4.266 -3.635 -0.745 1.00 53.33 H new ATOM 0 HH2 TRP A 42 -6.200 -5.051 -0.178 1.00 45.51 H new ATOM 699 N ARG A 43 -3.313 2.085 5.131 1.00 43.42 N ATOM 700 CA ARG A 43 -2.041 2.642 5.576 1.00 61.41 C ATOM 701 C ARG A 43 -0.875 1.780 5.102 1.00 1.52 C ATOM 702 O ARG A 43 -0.857 0.568 5.317 1.00 50.02 O ATOM 703 CB ARG A 43 -2.017 2.757 7.101 1.00 73.55 C ATOM 704 CG ARG A 43 -0.667 3.178 7.659 1.00 65.31 C ATOM 705 CD ARG A 43 -0.721 3.363 9.167 1.00 14.41 C ATOM 706 NE ARG A 43 0.366 2.661 9.844 1.00 2.12 N ATOM 707 CZ ARG A 43 0.814 2.989 11.051 1.00 52.41 C ATOM 708 NH1 ARG A 43 0.271 4.003 11.710 1.00 41.24 N ATOM 709 NH2 ARG A 43 1.808 2.302 11.601 1.00 2.21 N ATOM 0 H ARG A 43 -3.820 1.566 5.848 1.00 43.42 H new ATOM 0 HA ARG A 43 -1.936 3.636 5.141 1.00 61.41 H new ATOM 0 HB2 ARG A 43 -2.771 3.479 7.414 1.00 73.55 H new ATOM 0 HB3 ARG A 43 -2.296 1.796 7.534 1.00 73.55 H new ATOM 0 HG2 ARG A 43 0.081 2.426 7.410 1.00 65.31 H new ATOM 0 HG3 ARG A 43 -0.352 4.109 7.188 1.00 65.31 H new ATOM 0 HD2 ARG A 43 -0.669 4.426 9.404 1.00 14.41 H new ATOM 0 HD3 ARG A 43 -1.677 2.999 9.543 1.00 14.41 H new ATOM 0 HE ARG A 43 0.805 1.876 9.364 1.00 2.12 H new ATOM 0 HH11 ARG A 43 -0.493 4.533 11.291 1.00 41.24 H new ATOM 0 HH12 ARG A 43 0.617 4.253 12.637 1.00 41.24 H new ATOM 0 HH21 ARG A 43 2.229 1.521 11.097 1.00 2.21 H new ATOM 0 HH22 ARG A 43 2.151 2.555 12.528 1.00 2.21 H new ATOM 723 N VAL A 44 0.098 2.415 4.456 1.00 2.15 N ATOM 724 CA VAL A 44 1.269 1.707 3.952 1.00 25.13 C ATOM 725 C VAL A 44 2.554 2.447 4.306 1.00 33.41 C ATOM 726 O VAL A 44 2.517 3.543 4.866 1.00 33.12 O ATOM 727 CB VAL A 44 1.200 1.524 2.424 1.00 42.43 C ATOM 728 CG1 VAL A 44 -0.120 0.886 2.021 1.00 0.22 C ATOM 729 CG2 VAL A 44 1.393 2.858 1.719 1.00 53.22 C ATOM 0 H VAL A 44 0.099 3.418 4.269 1.00 2.15 H new ATOM 0 HA VAL A 44 1.275 0.727 4.428 1.00 25.13 H new ATOM 0 HB VAL A 44 2.006 0.857 2.119 1.00 42.43 H new ATOM 0 HG11 VAL A 44 -0.150 0.765 0.938 1.00 0.22 H new ATOM 0 HG12 VAL A 44 -0.213 -0.090 2.498 1.00 0.22 H new ATOM 0 HG13 VAL A 44 -0.945 1.525 2.338 1.00 0.22 H new ATOM 0 HG21 VAL A 44 1.341 2.710 0.640 1.00 53.22 H new ATOM 0 HG22 VAL A 44 0.610 3.550 2.028 1.00 53.22 H new ATOM 0 HG23 VAL A 44 2.367 3.271 1.982 1.00 53.22 H new ATOM 739 N ARG A 45 3.690 1.841 3.977 1.00 14.03 N ATOM 740 CA ARG A 45 4.987 2.442 4.262 1.00 53.31 C ATOM 741 C ARG A 45 5.802 2.607 2.983 1.00 62.23 C ATOM 742 O ARG A 45 5.680 1.814 2.050 1.00 14.52 O ATOM 743 CB ARG A 45 5.761 1.585 5.266 1.00 22.21 C ATOM 744 CG ARG A 45 6.739 2.378 6.117 1.00 1.01 C ATOM 745 CD ARG A 45 7.751 1.469 6.796 1.00 44.24 C ATOM 746 NE ARG A 45 8.942 1.266 5.974 1.00 51.35 N ATOM 747 CZ ARG A 45 9.985 0.539 6.359 1.00 63.03 C ATOM 748 NH1 ARG A 45 9.983 -0.053 7.545 1.00 51.21 N ATOM 749 NH2 ARG A 45 11.032 0.401 5.555 1.00 42.13 N ATOM 0 H ARG A 45 3.738 0.934 3.513 1.00 14.03 H new ATOM 0 HA ARG A 45 4.816 3.428 4.693 1.00 53.31 H new ATOM 0 HB2 ARG A 45 5.052 1.077 5.920 1.00 22.21 H new ATOM 0 HB3 ARG A 45 6.307 0.811 4.726 1.00 22.21 H new ATOM 0 HG2 ARG A 45 7.261 3.103 5.493 1.00 1.01 H new ATOM 0 HG3 ARG A 45 6.192 2.943 6.872 1.00 1.01 H new ATOM 0 HD2 ARG A 45 8.041 1.901 7.754 1.00 44.24 H new ATOM 0 HD3 ARG A 45 7.288 0.505 7.008 1.00 44.24 H new ATOM 0 HE ARG A 45 8.974 1.706 5.055 1.00 51.35 H new ATOM 0 HH11 ARG A 45 9.179 0.049 8.165 1.00 51.21 H new ATOM 0 HH12 ARG A 45 10.785 -0.611 7.838 1.00 51.21 H new ATOM 0 HH21 ARG A 45 11.036 0.853 4.641 1.00 42.13 H new ATOM 0 HH22 ARG A 45 11.832 -0.157 5.851 1.00 42.13 H new ATOM 763 N ASN A 46 6.634 3.644 2.947 1.00 64.50 N ATOM 764 CA ASN A 46 7.467 3.914 1.781 1.00 54.12 C ATOM 765 C ASN A 46 8.912 3.495 2.037 1.00 11.24 C ATOM 766 O ASN A 46 9.276 3.138 3.158 1.00 13.21 O ATOM 767 CB ASN A 46 7.413 5.401 1.423 1.00 62.23 C ATOM 768 CG ASN A 46 7.521 5.639 -0.071 1.00 61.51 C ATOM 769 OD1 ASN A 46 8.543 5.338 -0.687 1.00 71.03 O ATOM 770 ND2 ASN A 46 6.462 6.183 -0.661 1.00 33.20 N ATOM 0 H ASN A 46 6.749 4.310 3.711 1.00 64.50 H new ATOM 0 HA ASN A 46 7.079 3.331 0.946 1.00 54.12 H new ATOM 0 HB2 ASN A 46 6.479 5.827 1.790 1.00 62.23 H new ATOM 0 HB3 ASN A 46 8.223 5.924 1.931 1.00 62.23 H new ATOM 0 HD21 ASN A 46 6.476 6.367 -1.664 1.00 33.20 H new ATOM 0 HD22 ASN A 46 5.636 6.417 -0.111 1.00 33.20 H new ATOM 777 N SER A 47 9.730 3.539 0.991 1.00 52.15 N ATOM 778 CA SER A 47 11.133 3.161 1.101 1.00 41.54 C ATOM 779 C SER A 47 11.897 4.154 1.973 1.00 41.21 C ATOM 780 O SER A 47 12.977 3.850 2.478 1.00 11.32 O ATOM 781 CB SER A 47 11.774 3.085 -0.287 1.00 72.24 C ATOM 782 OG SER A 47 11.940 4.379 -0.843 1.00 21.44 O ATOM 0 H SER A 47 9.445 3.833 0.057 1.00 52.15 H new ATOM 0 HA SER A 47 11.183 2.178 1.570 1.00 41.54 H new ATOM 0 HB2 SER A 47 12.742 2.589 -0.218 1.00 72.24 H new ATOM 0 HB3 SER A 47 11.152 2.479 -0.946 1.00 72.24 H new ATOM 0 HG SER A 47 12.353 4.304 -1.729 1.00 21.44 H new ATOM 788 N MET A 48 11.328 5.342 2.143 1.00 22.21 N ATOM 789 CA MET A 48 11.953 6.380 2.955 1.00 43.43 C ATOM 790 C MET A 48 11.665 6.159 4.436 1.00 52.44 C ATOM 791 O MET A 48 11.948 7.021 5.267 1.00 34.14 O ATOM 792 CB MET A 48 11.455 7.762 2.526 1.00 24.42 C ATOM 793 CG MET A 48 12.045 8.240 1.209 1.00 33.25 C ATOM 794 SD MET A 48 13.056 9.721 1.398 1.00 32.35 S ATOM 795 CE MET A 48 14.536 9.030 2.133 1.00 3.01 C ATOM 0 H MET A 48 10.435 5.611 1.730 1.00 22.21 H new ATOM 0 HA MET A 48 13.031 6.327 2.802 1.00 43.43 H new ATOM 0 HB2 MET A 48 10.369 7.737 2.440 1.00 24.42 H new ATOM 0 HB3 MET A 48 11.696 8.484 3.306 1.00 24.42 H new ATOM 0 HG2 MET A 48 12.651 7.444 0.777 1.00 33.25 H new ATOM 0 HG3 MET A 48 11.237 8.443 0.506 1.00 33.25 H new ATOM 0 HE1 MET A 48 15.260 9.826 2.311 1.00 3.01 H new ATOM 0 HE2 MET A 48 14.283 8.552 3.079 1.00 3.01 H new ATOM 0 HE3 MET A 48 14.967 8.292 1.457 1.00 3.01 H new ATOM 805 N ASN A 49 11.102 4.999 4.759 1.00 44.02 N ATOM 806 CA ASN A 49 10.775 4.666 6.140 1.00 43.53 C ATOM 807 C ASN A 49 9.552 5.447 6.613 1.00 3.54 C ATOM 808 O ASN A 49 9.092 5.276 7.742 1.00 54.52 O ATOM 809 CB ASN A 49 11.967 4.961 7.053 1.00 14.40 C ATOM 810 CG ASN A 49 11.624 5.949 8.152 1.00 65.40 C ATOM 811 OD1 ASN A 49 11.782 5.655 9.337 1.00 61.21 O ATOM 812 ND2 ASN A 49 11.151 7.127 7.761 1.00 12.13 N ATOM 0 H ASN A 49 10.863 4.274 4.083 1.00 44.02 H new ATOM 0 HA ASN A 49 10.545 3.602 6.187 1.00 43.53 H new ATOM 0 HB2 ASN A 49 12.317 4.031 7.501 1.00 14.40 H new ATOM 0 HB3 ASN A 49 12.789 5.357 6.456 1.00 14.40 H new ATOM 0 HD21 ASN A 49 10.902 7.832 8.455 1.00 12.13 H new ATOM 0 HD22 ASN A 49 11.037 7.326 6.767 1.00 12.13 H new ATOM 819 N LYS A 50 9.031 6.303 5.742 1.00 63.24 N ATOM 820 CA LYS A 50 7.860 7.109 6.067 1.00 14.14 C ATOM 821 C LYS A 50 6.582 6.284 5.952 1.00 43.12 C ATOM 822 O LYS A 50 6.585 5.191 5.384 1.00 11.41 O ATOM 823 CB LYS A 50 7.780 8.326 5.143 1.00 53.31 C ATOM 824 CG LYS A 50 9.115 9.019 4.933 1.00 54.21 C ATOM 825 CD LYS A 50 9.150 9.775 3.615 1.00 1.24 C ATOM 826 CE LYS A 50 8.795 11.241 3.804 1.00 24.41 C ATOM 827 NZ LYS A 50 8.001 11.772 2.661 1.00 5.35 N ATOM 0 H LYS A 50 9.401 6.457 4.804 1.00 63.24 H new ATOM 0 HA LYS A 50 7.959 7.450 7.098 1.00 14.14 H new ATOM 0 HB2 LYS A 50 7.387 8.012 4.176 1.00 53.31 H new ATOM 0 HB3 LYS A 50 7.070 9.041 5.559 1.00 53.31 H new ATOM 0 HG2 LYS A 50 9.300 9.710 5.755 1.00 54.21 H new ATOM 0 HG3 LYS A 50 9.916 8.280 4.951 1.00 54.21 H new ATOM 0 HD2 LYS A 50 10.144 9.694 3.174 1.00 1.24 H new ATOM 0 HD3 LYS A 50 8.452 9.318 2.914 1.00 1.24 H new ATOM 0 HE2 LYS A 50 8.228 11.361 4.727 1.00 24.41 H new ATOM 0 HE3 LYS A 50 9.709 11.825 3.913 1.00 24.41 H new ATOM 0 HZ1 LYS A 50 7.779 12.774 2.828 1.00 5.35 H new ATOM 0 HZ2 LYS A 50 8.552 11.681 1.784 1.00 5.35 H new ATOM 0 HZ3 LYS A 50 7.117 11.232 2.572 1.00 5.35 H new ATOM 841 N THR A 51 5.489 6.815 6.492 1.00 12.53 N ATOM 842 CA THR A 51 4.205 6.129 6.449 1.00 22.05 C ATOM 843 C THR A 51 3.065 7.109 6.193 1.00 43.51 C ATOM 844 O THR A 51 3.237 8.320 6.317 1.00 33.30 O ATOM 845 CB THR A 51 3.928 5.370 7.761 1.00 0.24 C ATOM 846 OG1 THR A 51 5.161 5.093 8.436 1.00 73.11 O ATOM 847 CG2 THR A 51 3.190 4.068 7.489 1.00 43.34 C ATOM 0 H THR A 51 5.468 7.719 6.964 1.00 12.53 H new ATOM 0 HA THR A 51 4.258 5.414 5.628 1.00 22.05 H new ATOM 0 HB THR A 51 3.301 5.999 8.393 1.00 0.24 H new ATOM 0 HG1 THR A 51 4.977 4.612 9.270 1.00 73.11 H new ATOM 0 HG21 THR A 51 3.006 3.550 8.431 1.00 43.34 H new ATOM 0 HG22 THR A 51 2.239 4.284 7.002 1.00 43.34 H new ATOM 0 HG23 THR A 51 3.795 3.436 6.840 1.00 43.34 H new ATOM 855 N GLY A 52 1.901 6.575 5.834 1.00 44.55 N ATOM 856 CA GLY A 52 0.751 7.418 5.566 1.00 44.13 C ATOM 857 C GLY A 52 -0.460 6.622 5.121 1.00 34.02 C ATOM 858 O GLY A 52 -0.354 5.433 4.821 1.00 45.44 O ATOM 0 H GLY A 52 1.735 5.575 5.724 1.00 44.55 H new ATOM 0 HA2 GLY A 52 0.501 7.982 6.464 1.00 44.13 H new ATOM 0 HA3 GLY A 52 1.008 8.144 4.795 1.00 44.13 H new ATOM 862 N PHE A 53 -1.615 7.278 5.081 1.00 41.33 N ATOM 863 CA PHE A 53 -2.852 6.623 4.673 1.00 32.50 C ATOM 864 C PHE A 53 -3.136 6.870 3.194 1.00 70.13 C ATOM 865 O PHE A 53 -3.016 7.994 2.707 1.00 70.52 O ATOM 866 CB PHE A 53 -4.024 7.126 5.519 1.00 3.23 C ATOM 867 CG PHE A 53 -4.303 6.272 6.723 1.00 52.25 C ATOM 868 CD1 PHE A 53 -4.790 4.984 6.577 1.00 5.23 C ATOM 869 CD2 PHE A 53 -4.078 6.759 8.001 1.00 5.33 C ATOM 870 CE1 PHE A 53 -5.049 4.197 7.684 1.00 25.15 C ATOM 871 CE2 PHE A 53 -4.334 5.976 9.111 1.00 13.32 C ATOM 872 CZ PHE A 53 -4.819 4.693 8.952 1.00 30.51 C ATOM 0 H PHE A 53 -1.720 8.263 5.326 1.00 41.33 H new ATOM 0 HA PHE A 53 -2.734 5.551 4.829 1.00 32.50 H new ATOM 0 HB2 PHE A 53 -3.815 8.144 5.846 1.00 3.23 H new ATOM 0 HB3 PHE A 53 -4.919 7.168 4.898 1.00 3.23 H new ATOM 0 HD1 PHE A 53 -4.969 4.590 5.588 1.00 5.23 H new ATOM 0 HD2 PHE A 53 -3.698 7.762 8.131 1.00 5.33 H new ATOM 0 HE1 PHE A 53 -5.431 3.195 7.557 1.00 25.15 H new ATOM 0 HE2 PHE A 53 -4.155 6.367 10.102 1.00 13.32 H new ATOM 0 HZ PHE A 53 -5.018 4.079 9.818 1.00 30.51 H new ATOM 882 N VAL A 54 -3.512 5.810 2.484 1.00 35.24 N ATOM 883 CA VAL A 54 -3.813 5.911 1.063 1.00 65.42 C ATOM 884 C VAL A 54 -4.981 5.006 0.682 1.00 50.21 C ATOM 885 O VAL A 54 -5.219 3.968 1.299 1.00 35.23 O ATOM 886 CB VAL A 54 -2.591 5.541 0.202 1.00 44.25 C ATOM 887 CG1 VAL A 54 -1.391 6.395 0.583 1.00 4.02 C ATOM 888 CG2 VAL A 54 -2.268 4.061 0.343 1.00 50.12 C ATOM 0 H VAL A 54 -3.615 4.872 2.871 1.00 35.24 H new ATOM 0 HA VAL A 54 -4.083 6.949 0.871 1.00 65.42 H new ATOM 0 HB VAL A 54 -2.831 5.739 -0.843 1.00 44.25 H new ATOM 0 HG11 VAL A 54 -0.537 6.119 -0.036 1.00 4.02 H new ATOM 0 HG12 VAL A 54 -1.629 7.447 0.426 1.00 4.02 H new ATOM 0 HG13 VAL A 54 -1.146 6.231 1.632 1.00 4.02 H new ATOM 0 HG21 VAL A 54 -1.402 3.817 -0.272 1.00 50.12 H new ATOM 0 HG22 VAL A 54 -2.047 3.835 1.386 1.00 50.12 H new ATOM 0 HG23 VAL A 54 -3.123 3.469 0.016 1.00 50.12 H new ATOM 898 N PRO A 55 -5.725 5.407 -0.358 1.00 23.44 N ATOM 899 CA PRO A 55 -6.880 4.646 -0.845 1.00 22.54 C ATOM 900 C PRO A 55 -6.472 3.338 -1.515 1.00 72.25 C ATOM 901 O PRO A 55 -5.467 3.281 -2.223 1.00 0.23 O ATOM 902 CB PRO A 55 -7.524 5.590 -1.863 1.00 75.25 C ATOM 903 CG PRO A 55 -6.411 6.467 -2.323 1.00 64.52 C ATOM 904 CD PRO A 55 -5.499 6.633 -1.140 1.00 55.11 C ATOM 0 HA PRO A 55 -7.546 4.354 -0.034 1.00 22.54 H new ATOM 0 HB2 PRO A 55 -7.962 5.037 -2.694 1.00 75.25 H new ATOM 0 HB3 PRO A 55 -8.326 6.173 -1.410 1.00 75.25 H new ATOM 0 HG2 PRO A 55 -5.882 6.018 -3.164 1.00 64.52 H new ATOM 0 HG3 PRO A 55 -6.789 7.431 -2.663 1.00 64.52 H new ATOM 0 HD2 PRO A 55 -4.457 6.727 -1.446 1.00 55.11 H new ATOM 0 HD3 PRO A 55 -5.745 7.526 -0.566 1.00 55.11 H new ATOM 912 N SER A 56 -7.259 2.292 -1.288 1.00 62.52 N ATOM 913 CA SER A 56 -6.977 0.984 -1.868 1.00 22.51 C ATOM 914 C SER A 56 -7.329 0.960 -3.352 1.00 10.30 C ATOM 915 O SER A 56 -7.251 -0.081 -4.002 1.00 45.13 O ATOM 916 CB SER A 56 -7.760 -0.104 -1.130 1.00 12.42 C ATOM 917 OG SER A 56 -9.154 0.134 -1.198 1.00 62.31 O ATOM 0 H SER A 56 -8.097 2.324 -0.707 1.00 62.52 H new ATOM 0 HA SER A 56 -5.910 0.790 -1.762 1.00 22.51 H new ATOM 0 HB2 SER A 56 -7.533 -1.078 -1.565 1.00 12.42 H new ATOM 0 HB3 SER A 56 -7.445 -0.139 -0.087 1.00 12.42 H new ATOM 0 HG SER A 56 -9.631 -0.576 -0.720 1.00 62.31 H new ATOM 923 N ASN A 57 -7.717 2.116 -3.880 1.00 74.23 N ATOM 924 CA ASN A 57 -8.082 2.229 -5.288 1.00 53.33 C ATOM 925 C ASN A 57 -6.849 2.478 -6.151 1.00 64.10 C ATOM 926 O ASN A 57 -6.876 2.272 -7.364 1.00 22.14 O ATOM 927 CB ASN A 57 -9.092 3.361 -5.484 1.00 72.22 C ATOM 928 CG ASN A 57 -10.103 3.051 -6.572 1.00 63.22 C ATOM 929 OD1 ASN A 57 -9.900 2.149 -7.384 1.00 62.32 O ATOM 930 ND2 ASN A 57 -11.200 3.800 -6.591 1.00 42.03 N ATOM 0 H ASN A 57 -7.787 2.988 -3.355 1.00 74.23 H new ATOM 0 HA ASN A 57 -8.536 1.288 -5.597 1.00 53.33 H new ATOM 0 HB2 ASN A 57 -9.616 3.543 -4.546 1.00 72.22 H new ATOM 0 HB3 ASN A 57 -8.561 4.279 -5.736 1.00 72.22 H new ATOM 0 HD21 ASN A 57 -11.916 3.638 -7.299 1.00 42.03 H new ATOM 0 HD22 ASN A 57 -11.326 4.537 -5.898 1.00 42.03 H new ATOM 937 N TYR A 58 -5.769 2.921 -5.516 1.00 41.23 N ATOM 938 CA TYR A 58 -4.527 3.199 -6.226 1.00 54.24 C ATOM 939 C TYR A 58 -3.513 2.080 -6.011 1.00 21.00 C ATOM 940 O TYR A 58 -2.603 1.887 -6.817 1.00 4.21 O ATOM 941 CB TYR A 58 -3.936 4.532 -5.761 1.00 72.24 C ATOM 942 CG TYR A 58 -4.674 5.740 -6.295 1.00 55.40 C ATOM 943 CD1 TYR A 58 -6.023 5.932 -6.021 1.00 53.43 C ATOM 944 CD2 TYR A 58 -4.021 6.690 -7.071 1.00 40.11 C ATOM 945 CE1 TYR A 58 -6.700 7.034 -6.506 1.00 41.31 C ATOM 946 CE2 TYR A 58 -4.690 7.795 -7.560 1.00 35.41 C ATOM 947 CZ TYR A 58 -6.030 7.962 -7.275 1.00 63.13 C ATOM 948 OH TYR A 58 -6.700 9.061 -7.759 1.00 63.55 O ATOM 0 H TYR A 58 -5.729 3.095 -4.512 1.00 41.23 H new ATOM 0 HA TYR A 58 -4.754 3.260 -7.290 1.00 54.24 H new ATOM 0 HB2 TYR A 58 -3.945 4.564 -4.671 1.00 72.24 H new ATOM 0 HB3 TYR A 58 -2.893 4.586 -6.073 1.00 72.24 H new ATOM 0 HD1 TYR A 58 -6.551 5.207 -5.419 1.00 53.43 H new ATOM 0 HD2 TYR A 58 -2.972 6.562 -7.296 1.00 40.11 H new ATOM 0 HE1 TYR A 58 -7.748 7.168 -6.284 1.00 41.31 H new ATOM 0 HE2 TYR A 58 -4.168 8.524 -8.162 1.00 35.41 H new ATOM 0 HH TYR A 58 -6.084 9.616 -8.281 1.00 63.55 H new ATOM 958 N VAL A 59 -3.680 1.343 -4.917 1.00 44.35 N ATOM 959 CA VAL A 59 -2.781 0.240 -4.595 1.00 24.32 C ATOM 960 C VAL A 59 -3.537 -1.083 -4.532 1.00 52.31 C ATOM 961 O VAL A 59 -4.756 -1.121 -4.696 1.00 11.05 O ATOM 962 CB VAL A 59 -2.065 0.474 -3.252 1.00 50.40 C ATOM 963 CG1 VAL A 59 -1.366 1.825 -3.248 1.00 33.41 C ATOM 964 CG2 VAL A 59 -3.050 0.369 -2.098 1.00 55.13 C ATOM 0 H VAL A 59 -4.428 1.489 -4.240 1.00 44.35 H new ATOM 0 HA VAL A 59 -2.038 0.193 -5.391 1.00 24.32 H new ATOM 0 HB VAL A 59 -1.308 -0.299 -3.124 1.00 50.40 H new ATOM 0 HG11 VAL A 59 -0.866 1.973 -2.291 1.00 33.41 H new ATOM 0 HG12 VAL A 59 -0.630 1.856 -4.051 1.00 33.41 H new ATOM 0 HG13 VAL A 59 -2.101 2.615 -3.399 1.00 33.41 H new ATOM 0 HG21 VAL A 59 -2.527 0.537 -1.157 1.00 55.13 H new ATOM 0 HG22 VAL A 59 -3.832 1.119 -2.218 1.00 55.13 H new ATOM 0 HG23 VAL A 59 -3.498 -0.625 -2.092 1.00 55.13 H new ATOM 974 N GLU A 60 -2.803 -2.166 -4.293 1.00 31.34 N ATOM 975 CA GLU A 60 -3.405 -3.492 -4.208 1.00 75.04 C ATOM 976 C GLU A 60 -2.459 -4.477 -3.529 1.00 51.33 C ATOM 977 O GLU A 60 -1.297 -4.606 -3.918 1.00 61.21 O ATOM 978 CB GLU A 60 -3.772 -3.999 -5.604 1.00 3.14 C ATOM 979 CG GLU A 60 -5.100 -4.735 -5.655 1.00 32.33 C ATOM 980 CD GLU A 60 -6.185 -3.934 -6.349 1.00 1.12 C ATOM 981 OE1 GLU A 60 -6.782 -4.458 -7.314 1.00 53.01 O ATOM 982 OE2 GLU A 60 -6.436 -2.786 -5.929 1.00 43.31 O ATOM 0 H GLU A 60 -1.792 -2.151 -4.155 1.00 31.34 H new ATOM 0 HA GLU A 60 -4.311 -3.414 -3.607 1.00 75.04 H new ATOM 0 HB2 GLU A 60 -3.809 -3.153 -6.290 1.00 3.14 H new ATOM 0 HB3 GLU A 60 -2.984 -4.664 -5.959 1.00 3.14 H new ATOM 0 HG2 GLU A 60 -4.966 -5.684 -6.174 1.00 32.33 H new ATOM 0 HG3 GLU A 60 -5.420 -4.970 -4.640 1.00 32.33 H new ATOM 990 N ARG A 61 -2.962 -5.168 -2.512 1.00 63.25 N ATOM 991 CA ARG A 61 -2.162 -6.140 -1.777 1.00 55.23 C ATOM 992 C ARG A 61 -1.831 -7.344 -2.653 1.00 1.11 C ATOM 993 O ARG A 61 -2.666 -7.813 -3.426 1.00 34.31 O ATOM 994 CB ARG A 61 -2.904 -6.598 -0.521 1.00 21.52 C ATOM 995 CG ARG A 61 -4.147 -7.422 -0.814 1.00 4.02 C ATOM 996 CD ARG A 61 -4.605 -8.196 0.412 1.00 63.25 C ATOM 997 NE ARG A 61 -5.834 -7.647 0.978 1.00 75.11 N ATOM 998 CZ ARG A 61 -6.400 -8.105 2.089 1.00 63.40 C ATOM 999 NH1 ARG A 61 -5.851 -9.115 2.749 1.00 21.53 N ATOM 1000 NH2 ARG A 61 -7.519 -7.553 2.542 1.00 51.13 N ATOM 0 H ARG A 61 -3.921 -5.073 -2.178 1.00 63.25 H new ATOM 0 HA ARG A 61 -1.229 -5.658 -1.484 1.00 55.23 H new ATOM 0 HB2 ARG A 61 -2.226 -7.186 0.097 1.00 21.52 H new ATOM 0 HB3 ARG A 61 -3.188 -5.722 0.062 1.00 21.52 H new ATOM 0 HG2 ARG A 61 -4.949 -6.765 -1.151 1.00 4.02 H new ATOM 0 HG3 ARG A 61 -3.940 -8.117 -1.628 1.00 4.02 H new ATOM 0 HD2 ARG A 61 -4.765 -9.240 0.143 1.00 63.25 H new ATOM 0 HD3 ARG A 61 -3.819 -8.178 1.167 1.00 63.25 H new ATOM 0 HE ARG A 61 -6.282 -6.869 0.494 1.00 75.11 H new ATOM 0 HH11 ARG A 61 -4.992 -9.543 2.404 1.00 21.53 H new ATOM 0 HH12 ARG A 61 -6.288 -9.465 3.602 1.00 21.53 H new ATOM 0 HH21 ARG A 61 -7.945 -6.776 2.037 1.00 51.13 H new ATOM 0 HH22 ARG A 61 -7.953 -7.906 3.395 1.00 51.13 H new ATOM 1014 N LYS A 62 -0.604 -7.841 -2.527 1.00 61.22 N ATOM 1015 CA LYS A 62 -0.161 -8.991 -3.306 1.00 50.10 C ATOM 1016 C LYS A 62 -1.050 -10.202 -3.042 1.00 61.44 C ATOM 1017 O LYS A 62 -1.857 -10.202 -2.113 1.00 53.43 O ATOM 1018 CB LYS A 62 1.293 -9.331 -2.970 1.00 54.43 C ATOM 1019 CG LYS A 62 2.219 -9.295 -4.173 1.00 22.15 C ATOM 1020 CD LYS A 62 3.217 -10.442 -4.144 1.00 33.52 C ATOM 1021 CE LYS A 62 3.012 -11.389 -5.316 1.00 0.11 C ATOM 1022 NZ LYS A 62 4.029 -11.180 -6.382 1.00 51.10 N ATOM 0 H LYS A 62 0.101 -7.465 -1.893 1.00 61.22 H new ATOM 0 HA LYS A 62 -0.233 -8.732 -4.362 1.00 50.10 H new ATOM 0 HB2 LYS A 62 1.658 -8.629 -2.220 1.00 54.43 H new ATOM 0 HB3 LYS A 62 1.331 -10.324 -2.522 1.00 54.43 H new ATOM 0 HG2 LYS A 62 1.630 -9.347 -5.088 1.00 22.15 H new ATOM 0 HG3 LYS A 62 2.755 -8.346 -4.193 1.00 22.15 H new ATOM 0 HD2 LYS A 62 4.231 -10.044 -4.170 1.00 33.52 H new ATOM 0 HD3 LYS A 62 3.114 -10.992 -3.208 1.00 33.52 H new ATOM 0 HE2 LYS A 62 3.062 -12.419 -4.963 1.00 0.11 H new ATOM 0 HE3 LYS A 62 2.015 -11.242 -5.731 1.00 0.11 H new ATOM 0 HZ1 LYS A 62 3.855 -11.844 -7.163 1.00 51.10 H new ATOM 0 HZ2 LYS A 62 3.965 -10.204 -6.737 1.00 51.10 H new ATOM 0 HZ3 LYS A 62 4.979 -11.345 -5.993 1.00 51.10 H new ATOM 1036 N ASN A 63 -0.896 -11.235 -3.866 1.00 73.34 N ATOM 1037 CA ASN A 63 -1.685 -12.452 -3.720 1.00 61.22 C ATOM 1038 C ASN A 63 -0.989 -13.444 -2.793 1.00 0.11 C ATOM 1039 O ASN A 63 -0.898 -14.634 -3.095 1.00 61.42 O ATOM 1040 CB ASN A 63 -1.924 -13.096 -5.088 1.00 14.33 C ATOM 1041 CG ASN A 63 -2.607 -14.446 -4.979 1.00 4.40 C ATOM 1042 OD1 ASN A 63 -3.546 -14.619 -4.202 1.00 43.10 O ATOM 1043 ND2 ASN A 63 -2.137 -15.411 -5.761 1.00 43.52 N ATOM 0 H ASN A 63 -0.233 -11.253 -4.641 1.00 73.34 H new ATOM 0 HA ASN A 63 -2.645 -12.183 -3.279 1.00 61.22 H new ATOM 0 HB2 ASN A 63 -2.535 -12.431 -5.698 1.00 14.33 H new ATOM 0 HB3 ASN A 63 -0.970 -13.215 -5.603 1.00 14.33 H new ATOM 0 HD21 ASN A 63 -2.556 -16.340 -5.732 1.00 43.52 H new ATOM 0 HD22 ASN A 63 -1.357 -15.223 -6.390 1.00 43.52 H new ATOM 1050 N SER A 64 -0.500 -12.945 -1.663 1.00 13.42 N ATOM 1051 CA SER A 64 0.191 -13.786 -0.692 1.00 62.22 C ATOM 1052 C SER A 64 -0.797 -14.397 0.298 1.00 43.13 C ATOM 1053 O SER A 64 -0.583 -14.357 1.509 1.00 11.04 O ATOM 1054 CB SER A 64 1.246 -12.973 0.060 1.00 42.53 C ATOM 1055 OG SER A 64 0.649 -11.916 0.792 1.00 51.40 O ATOM 0 H SER A 64 -0.569 -11.963 -1.397 1.00 13.42 H new ATOM 0 HA SER A 64 0.683 -14.594 -1.234 1.00 62.22 H new ATOM 0 HB2 SER A 64 1.796 -13.625 0.739 1.00 42.53 H new ATOM 0 HB3 SER A 64 1.969 -12.567 -0.647 1.00 42.53 H new ATOM 0 HG SER A 64 1.344 -11.412 1.265 1.00 51.40 H new ATOM 1061 N ALA A 65 -1.878 -14.962 -0.228 1.00 65.22 N ATOM 1062 CA ALA A 65 -2.899 -15.584 0.608 1.00 50.53 C ATOM 1063 C ALA A 65 -2.928 -17.095 0.406 1.00 65.41 C ATOM 1064 O ALA A 65 -3.997 -17.697 0.308 1.00 35.40 O ATOM 1065 CB ALA A 65 -4.264 -14.982 0.309 1.00 0.12 C ATOM 0 H ALA A 65 -2.070 -15.002 -1.229 1.00 65.22 H new ATOM 0 HA ALA A 65 -2.649 -15.389 1.651 1.00 50.53 H new ATOM 0 HB1 ALA A 65 -5.016 -15.455 0.940 1.00 0.12 H new ATOM 0 HB2 ALA A 65 -4.242 -13.911 0.512 1.00 0.12 H new ATOM 0 HB3 ALA A 65 -4.513 -15.148 -0.739 1.00 0.12 H new ATOM 1071 N ARG A 66 -1.748 -17.702 0.341 1.00 11.31 N ATOM 1072 CA ARG A 66 -1.639 -19.143 0.148 1.00 21.14 C ATOM 1073 C ARG A 66 -1.646 -19.873 1.488 1.00 63.41 C ATOM 1074 O ARG A 66 -0.945 -19.484 2.422 1.00 74.53 O ATOM 1075 CB ARG A 66 -0.362 -19.481 -0.622 1.00 52.34 C ATOM 1076 CG ARG A 66 -0.420 -19.107 -2.094 1.00 25.12 C ATOM 1077 CD ARG A 66 0.711 -19.753 -2.880 1.00 35.23 C ATOM 1078 NE ARG A 66 0.213 -20.580 -3.975 1.00 43.44 N ATOM 1079 CZ ARG A 66 1.003 -21.172 -4.865 1.00 63.25 C ATOM 1080 NH1 ARG A 66 2.318 -21.027 -4.790 1.00 51.04 N ATOM 1081 NH2 ARG A 66 0.475 -21.910 -5.834 1.00 70.43 N ATOM 0 H ARG A 66 -0.853 -17.218 0.419 1.00 11.31 H new ATOM 0 HA ARG A 66 -2.502 -19.473 -0.431 1.00 21.14 H new ATOM 0 HB2 ARG A 66 0.479 -18.966 -0.158 1.00 52.34 H new ATOM 0 HB3 ARG A 66 -0.168 -20.550 -0.535 1.00 52.34 H new ATOM 0 HG2 ARG A 66 -1.378 -19.417 -2.512 1.00 25.12 H new ATOM 0 HG3 ARG A 66 -0.363 -18.023 -2.197 1.00 25.12 H new ATOM 0 HD2 ARG A 66 1.364 -18.977 -3.280 1.00 35.23 H new ATOM 0 HD3 ARG A 66 1.315 -20.364 -2.210 1.00 35.23 H new ATOM 0 HE ARG A 66 -0.795 -20.711 -4.062 1.00 43.44 H new ATOM 0 HH11 ARG A 66 2.727 -20.460 -4.048 1.00 51.04 H new ATOM 0 HH12 ARG A 66 2.921 -21.483 -5.475 1.00 51.04 H new ATOM 0 HH21 ARG A 66 -0.537 -22.023 -5.896 1.00 70.43 H new ATOM 0 HH22 ARG A 66 1.081 -22.364 -6.517 1.00 70.43 H new ATOM 1095 N ALA A 67 -2.443 -20.933 1.575 1.00 45.53 N ATOM 1096 CA ALA A 67 -2.540 -21.718 2.799 1.00 65.32 C ATOM 1097 C ALA A 67 -1.509 -22.841 2.813 1.00 33.13 C ATOM 1098 O ALA A 67 -0.895 -23.120 3.844 1.00 62.34 O ATOM 1099 CB ALA A 67 -3.944 -22.285 2.952 1.00 45.42 C ATOM 0 H ALA A 67 -3.031 -21.268 0.812 1.00 45.53 H new ATOM 0 HA ALA A 67 -2.332 -21.059 3.642 1.00 65.32 H new ATOM 0 HB1 ALA A 67 -4.002 -22.869 3.870 1.00 45.42 H new ATOM 0 HB2 ALA A 67 -4.664 -21.468 2.995 1.00 45.42 H new ATOM 0 HB3 ALA A 67 -4.173 -22.925 2.100 1.00 45.42 H new ATOM 1105 N ALA A 68 -1.324 -23.484 1.665 1.00 54.52 N ATOM 1106 CA ALA A 68 -0.366 -24.576 1.546 1.00 1.44 C ATOM 1107 C ALA A 68 0.997 -24.174 2.100 1.00 20.24 C ATOM 1108 O ALA A 68 1.545 -24.846 2.974 1.00 72.33 O ATOM 1109 CB ALA A 68 -0.240 -25.012 0.094 1.00 40.44 C ATOM 0 H ALA A 68 -1.825 -23.267 0.804 1.00 54.52 H new ATOM 0 HA ALA A 68 -0.735 -25.416 2.135 1.00 1.44 H new ATOM 0 HB1 ALA A 68 0.479 -25.828 0.020 1.00 40.44 H new ATOM 0 HB2 ALA A 68 -1.210 -25.349 -0.270 1.00 40.44 H new ATOM 0 HB3 ALA A 68 0.102 -24.172 -0.510 1.00 40.44 H new ATOM 1115 N ALA A 69 1.539 -23.075 1.587 1.00 71.54 N ATOM 1116 CA ALA A 69 2.836 -22.582 2.032 1.00 63.01 C ATOM 1117 C ALA A 69 2.704 -21.759 3.307 1.00 32.45 C ATOM 1118 O ALA A 69 2.397 -20.568 3.260 1.00 24.35 O ATOM 1119 CB ALA A 69 3.492 -21.757 0.934 1.00 52.11 C ATOM 0 H ALA A 69 1.099 -22.508 0.862 1.00 71.54 H new ATOM 0 HA ALA A 69 3.467 -23.443 2.252 1.00 63.01 H new ATOM 0 HB1 ALA A 69 4.460 -21.395 1.280 1.00 52.11 H new ATOM 0 HB2 ALA A 69 3.632 -22.376 0.048 1.00 52.11 H new ATOM 0 HB3 ALA A 69 2.855 -20.908 0.687 1.00 52.11 H new ATOM 1125 N ASN A 70 2.935 -22.402 4.449 1.00 63.45 N ATOM 1126 CA ASN A 70 2.840 -21.728 5.738 1.00 31.30 C ATOM 1127 C ASN A 70 1.397 -21.330 6.038 1.00 12.51 C ATOM 1128 O ASN A 70 0.541 -21.348 5.155 1.00 63.12 O ATOM 1129 CB ASN A 70 3.737 -20.489 5.757 1.00 10.01 C ATOM 1130 CG ASN A 70 5.111 -20.761 5.176 1.00 71.04 C ATOM 1131 OD1 ASN A 70 5.581 -21.899 5.171 1.00 13.13 O ATOM 1132 ND2 ASN A 70 5.762 -19.715 4.681 1.00 75.11 N ATOM 0 H ASN A 70 3.189 -23.388 4.506 1.00 63.45 H new ATOM 0 HA ASN A 70 3.175 -22.422 6.509 1.00 31.30 H new ATOM 0 HB2 ASN A 70 3.259 -19.689 5.192 1.00 10.01 H new ATOM 0 HB3 ASN A 70 3.843 -20.136 6.783 1.00 10.01 H new ATOM 0 HD21 ASN A 70 6.690 -19.837 4.276 1.00 75.11 H new ATOM 0 HD22 ASN A 70 5.334 -18.789 4.706 1.00 75.11 H new ATOM 1139 N SER A 71 1.137 -20.969 7.291 1.00 43.51 N ATOM 1140 CA SER A 71 -0.201 -20.570 7.709 1.00 10.33 C ATOM 1141 C SER A 71 -1.232 -21.619 7.305 1.00 12.32 C ATOM 1142 O SER A 71 -1.784 -21.572 6.206 1.00 33.11 O ATOM 1143 CB SER A 71 -0.567 -19.217 7.097 1.00 54.11 C ATOM 1144 OG SER A 71 0.332 -18.206 7.520 1.00 11.10 O ATOM 0 H SER A 71 1.836 -20.945 8.034 1.00 43.51 H new ATOM 0 HA SER A 71 -0.204 -20.482 8.795 1.00 10.33 H new ATOM 0 HB2 SER A 71 -0.552 -19.290 6.010 1.00 54.11 H new ATOM 0 HB3 SER A 71 -1.583 -18.948 7.384 1.00 54.11 H new ATOM 0 HG SER A 71 0.078 -17.351 7.114 1.00 11.10 H new ATOM 1150 N SER A 72 -1.487 -22.566 8.204 1.00 62.21 N ATOM 1151 CA SER A 72 -2.449 -23.630 7.940 1.00 35.22 C ATOM 1152 C SER A 72 -3.821 -23.051 7.607 1.00 11.35 C ATOM 1153 O SER A 72 -4.177 -21.968 8.068 1.00 71.43 O ATOM 1154 CB SER A 72 -2.555 -24.560 9.150 1.00 63.02 C ATOM 1155 OG SER A 72 -3.093 -23.879 10.271 1.00 4.54 O ATOM 0 H SER A 72 -1.041 -22.618 9.120 1.00 62.21 H new ATOM 0 HA SER A 72 -2.097 -24.201 7.081 1.00 35.22 H new ATOM 0 HB2 SER A 72 -3.186 -25.414 8.902 1.00 63.02 H new ATOM 0 HB3 SER A 72 -1.569 -24.953 9.398 1.00 63.02 H new ATOM 0 HG SER A 72 -3.152 -24.495 11.031 1.00 4.54 H new TER 1161 SER A 72