USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 ASN : amide:sc= -2.98! C(o=-3!,f=-14!) USER MOD Set 1.2: A 20 TYR OH : rot 180:sc= -0.063 USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 5 SER OG : rot 38:sc= 1.26 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0925 (180deg=0) USER MOD Single : A 3 SER OG : rot 22:sc= 0.595 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0385 X(o=-0.038,f=-0.038) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 25:sc= 0.202 USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 148:sc= -2.01 (180deg=-4.12) USER MOD Single : A 35 GLN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD Single : A 36 GLN : amide:sc= 1.04 K(o=1,f=-0.005) USER MOD Single : A 40 GLN : amide:sc= -0.511 K(o=-0.51,f=-2.6!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 136:sc= -4.88! (180deg=-11.5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-0.00941 K(o=-0.0094,f=-2) USER MOD Single : A 48 GLN : amide:sc= -6.04! C(o=-6!,f=-12!) USER MOD Single : A 49 GLN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 53 GLN : amide:sc= 1.2 K(o=1.2,f=-0.58) USER MOD Single : A 55 GLN : amide:sc= -1.85! X(o=-1.8!,f=-1.4) USER MOD Single : A 58 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.7!) USER MOD Single : A 66 TYR OH : rot 60:sc= -1.32 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 71 SER OG : rot -57:sc= 1.04 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= -0.0353 (180deg=-0.247) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 22:sc= 0.461! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.644 -11.362 -11.454 1.00 0.00 N ATOM 2 CA GLY A 1 -0.694 -10.920 -11.104 1.00 0.00 C ATOM 3 C GLY A 1 -1.604 -12.071 -10.725 1.00 0.00 C ATOM 4 O GLY A 1 -1.140 -13.186 -10.485 1.00 0.00 O ATOM 0 H1 GLY A 1 1.339 -10.873 -10.855 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.721 -12.388 -11.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.832 -11.142 -12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.635 -10.218 -10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.127 -10.381 -11.946 1.00 0.00 H new ATOM 8 N SER A 2 -2.904 -11.802 -10.668 1.00 0.00 N ATOM 9 CA SER A 2 -3.882 -12.823 -10.310 1.00 0.00 C ATOM 10 C SER A 2 -5.263 -12.467 -10.852 1.00 0.00 C ATOM 11 O SER A 2 -5.520 -11.322 -11.224 1.00 0.00 O ATOM 12 CB SER A 2 -3.945 -12.987 -8.790 1.00 0.00 C ATOM 13 OG SER A 2 -4.347 -11.781 -8.163 1.00 0.00 O ATOM 0 H SER A 2 -3.305 -10.885 -10.865 1.00 0.00 H new ATOM 0 HA SER A 2 -3.567 -13.766 -10.758 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.644 -13.783 -8.536 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.968 -13.288 -8.413 1.00 0.00 H new ATOM 0 HG SER A 2 -4.381 -11.912 -7.192 1.00 0.00 H new ATOM 19 N SER A 3 -6.148 -13.457 -10.894 1.00 0.00 N ATOM 20 CA SER A 3 -7.503 -13.251 -11.394 1.00 0.00 C ATOM 21 C SER A 3 -8.445 -12.854 -10.262 1.00 0.00 C ATOM 22 O SER A 3 -8.664 -13.620 -9.325 1.00 0.00 O ATOM 23 CB SER A 3 -8.015 -14.519 -12.079 1.00 0.00 C ATOM 24 OG SER A 3 -8.145 -15.583 -11.151 1.00 0.00 O ATOM 0 H SER A 3 -5.952 -14.410 -10.588 1.00 0.00 H new ATOM 0 HA SER A 3 -7.476 -12.440 -12.122 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.980 -14.320 -12.546 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.329 -14.808 -12.875 1.00 0.00 H new ATOM 0 HG SER A 3 -8.229 -15.219 -10.245 1.00 0.00 H new ATOM 30 N GLY A 4 -9.002 -11.650 -10.358 1.00 0.00 N ATOM 31 CA GLY A 4 -9.914 -11.172 -9.336 1.00 0.00 C ATOM 32 C GLY A 4 -9.192 -10.686 -8.095 1.00 0.00 C ATOM 33 O GLY A 4 -8.732 -11.488 -7.283 1.00 0.00 O ATOM 0 H GLY A 4 -8.838 -10.998 -11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.517 -10.360 -9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.601 -11.973 -9.063 1.00 0.00 H new ATOM 37 N SER A 5 -9.091 -9.369 -7.949 1.00 0.00 N ATOM 38 CA SER A 5 -8.414 -8.777 -6.800 1.00 0.00 C ATOM 39 C SER A 5 -8.675 -7.275 -6.731 1.00 0.00 C ATOM 40 O SER A 5 -8.311 -6.528 -7.639 1.00 0.00 O ATOM 41 CB SER A 5 -6.910 -9.042 -6.876 1.00 0.00 C ATOM 42 OG SER A 5 -6.579 -10.281 -6.273 1.00 0.00 O ATOM 0 H SER A 5 -9.469 -8.691 -8.611 1.00 0.00 H new ATOM 0 HA SER A 5 -8.812 -9.239 -5.897 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.590 -9.044 -7.918 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.370 -8.236 -6.379 1.00 0.00 H new ATOM 0 HG SER A 5 -7.276 -10.939 -6.474 1.00 0.00 H new ATOM 48 N SER A 6 -9.307 -6.840 -5.646 1.00 0.00 N ATOM 49 CA SER A 6 -9.620 -5.428 -5.458 1.00 0.00 C ATOM 50 C SER A 6 -8.722 -4.810 -4.392 1.00 0.00 C ATOM 51 O SER A 6 -8.476 -5.410 -3.346 1.00 0.00 O ATOM 52 CB SER A 6 -11.089 -5.258 -5.065 1.00 0.00 C ATOM 53 OG SER A 6 -11.296 -5.602 -3.706 1.00 0.00 O ATOM 0 H SER A 6 -9.612 -7.445 -4.884 1.00 0.00 H new ATOM 0 HA SER A 6 -9.441 -4.913 -6.402 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.397 -4.226 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.714 -5.885 -5.701 1.00 0.00 H new ATOM 0 HG SER A 6 -12.242 -5.483 -3.479 1.00 0.00 H new ATOM 59 N GLY A 7 -8.233 -3.604 -4.665 1.00 0.00 N ATOM 60 CA GLY A 7 -7.367 -2.923 -3.721 1.00 0.00 C ATOM 61 C GLY A 7 -8.135 -2.022 -2.774 1.00 0.00 C ATOM 62 O GLY A 7 -9.356 -1.898 -2.879 1.00 0.00 O ATOM 0 H GLY A 7 -8.421 -3.087 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.812 -3.662 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.634 -2.330 -4.268 1.00 0.00 H new ATOM 66 N ILE A 8 -7.421 -1.395 -1.847 1.00 0.00 N ATOM 67 CA ILE A 8 -8.044 -0.502 -0.877 1.00 0.00 C ATOM 68 C ILE A 8 -7.652 0.949 -1.135 1.00 0.00 C ATOM 69 O ILE A 8 -6.590 1.225 -1.692 1.00 0.00 O ATOM 70 CB ILE A 8 -7.656 -0.879 0.565 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.149 -0.711 0.772 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.082 -2.306 0.873 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.756 -0.519 2.220 1.00 0.00 C ATOM 0 H ILE A 8 -6.410 -1.488 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.122 -0.611 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.175 -0.210 1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.636 -1.588 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.804 0.146 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.801 -2.557 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.163 -2.395 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.588 -2.990 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.674 -0.407 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.240 0.375 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.070 -1.387 2.800 1.00 0.00 H new ATOM 85 N GLN A 9 -8.516 1.871 -0.723 1.00 0.00 N ATOM 86 CA GLN A 9 -8.259 3.295 -0.909 1.00 0.00 C ATOM 87 C GLN A 9 -7.830 3.946 0.402 1.00 0.00 C ATOM 88 O GLN A 9 -8.585 3.963 1.375 1.00 0.00 O ATOM 89 CB GLN A 9 -9.506 3.993 -1.455 1.00 0.00 C ATOM 90 CG GLN A 9 -9.265 5.437 -1.862 1.00 0.00 C ATOM 91 CD GLN A 9 -10.510 6.103 -2.416 1.00 0.00 C ATOM 92 OE1 GLN A 9 -11.022 7.064 -1.841 1.00 0.00 O ATOM 93 NE2 GLN A 9 -11.003 5.594 -3.539 1.00 0.00 N ATOM 0 H GLN A 9 -9.399 1.658 -0.259 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.448 3.401 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.875 3.438 -2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.290 3.963 -0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.910 6.000 -0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.475 5.472 -2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.546 4.797 -3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.839 6.000 -3.959 1.00 0.00 H new ATOM 102 N VAL A 10 -6.613 4.480 0.422 1.00 0.00 N ATOM 103 CA VAL A 10 -6.084 5.133 1.613 1.00 0.00 C ATOM 104 C VAL A 10 -5.989 6.642 1.416 1.00 0.00 C ATOM 105 O VAL A 10 -5.808 7.123 0.297 1.00 0.00 O ATOM 106 CB VAL A 10 -4.693 4.585 1.982 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.786 3.123 2.392 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.726 4.762 0.821 1.00 0.00 C ATOM 0 H VAL A 10 -5.975 4.473 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.778 4.919 2.426 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.312 5.151 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.793 2.753 2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.443 3.029 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.188 2.538 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.748 4.369 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.100 4.222 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.637 5.821 0.580 1.00 0.00 H new ATOM 118 N PHE A 11 -6.110 7.385 2.511 1.00 0.00 N ATOM 119 CA PHE A 11 -6.038 8.840 2.459 1.00 0.00 C ATOM 120 C PHE A 11 -4.733 9.342 3.071 1.00 0.00 C ATOM 121 O PHE A 11 -4.568 9.346 4.291 1.00 0.00 O ATOM 122 CB PHE A 11 -7.230 9.458 3.194 1.00 0.00 C ATOM 123 CG PHE A 11 -8.507 9.418 2.404 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.770 10.376 1.438 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.445 8.423 2.629 1.00 0.00 C ATOM 126 CE1 PHE A 11 -9.944 10.342 0.709 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.620 8.384 1.903 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.871 9.345 0.943 1.00 0.00 C ATOM 0 H PHE A 11 -6.258 7.003 3.445 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.069 9.143 1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.378 8.931 4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.997 10.494 3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.049 11.159 1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.256 7.670 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.136 11.094 -0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.342 7.602 2.086 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.790 9.317 0.377 1.00 0.00 H new ATOM 138 N VAL A 12 -3.809 9.765 2.215 1.00 0.00 N ATOM 139 CA VAL A 12 -2.519 10.270 2.669 1.00 0.00 C ATOM 140 C VAL A 12 -2.567 11.777 2.895 1.00 0.00 C ATOM 141 O VAL A 12 -2.555 12.559 1.944 1.00 0.00 O ATOM 142 CB VAL A 12 -1.402 9.948 1.658 1.00 0.00 C ATOM 143 CG1 VAL A 12 -0.063 10.467 2.159 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.338 8.451 1.395 1.00 0.00 C ATOM 0 H VAL A 12 -3.930 9.768 1.202 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.299 9.771 3.613 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.630 10.450 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.714 10.230 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.118 11.547 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.176 9.996 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.544 8.241 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.133 7.926 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.291 8.112 0.990 1.00 0.00 H new ATOM 154 N LYS A 13 -2.620 12.179 4.160 1.00 0.00 N ATOM 155 CA LYS A 13 -2.668 13.593 4.512 1.00 0.00 C ATOM 156 C LYS A 13 -1.270 14.204 4.503 1.00 0.00 C ATOM 157 O LYS A 13 -0.422 13.848 5.321 1.00 0.00 O ATOM 158 CB LYS A 13 -3.307 13.775 5.891 1.00 0.00 C ATOM 159 CG LYS A 13 -3.558 15.227 6.259 1.00 0.00 C ATOM 160 CD LYS A 13 -4.488 15.347 7.454 1.00 0.00 C ATOM 161 CE LYS A 13 -4.408 16.728 8.086 1.00 0.00 C ATOM 162 NZ LYS A 13 -5.362 17.682 7.457 1.00 0.00 N ATOM 0 H LYS A 13 -2.631 11.545 4.959 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.275 14.107 3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.253 13.234 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.660 13.325 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.610 15.715 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.991 15.750 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.513 15.148 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.229 14.591 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.620 16.652 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.393 17.113 7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.277 18.611 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.144 17.774 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.333 17.328 7.571 1.00 0.00 H new ATOM 176 N ASN A 14 -1.038 15.125 3.574 1.00 0.00 N ATOM 177 CA ASN A 14 0.257 15.786 3.460 1.00 0.00 C ATOM 178 C ASN A 14 0.428 16.841 4.549 1.00 0.00 C ATOM 179 O ASN A 14 -0.539 17.423 5.040 1.00 0.00 O ATOM 180 CB ASN A 14 0.404 16.432 2.081 1.00 0.00 C ATOM 181 CG ASN A 14 -0.518 17.622 1.899 1.00 0.00 C ATOM 182 OD1 ASN A 14 -1.302 17.956 2.788 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.427 18.270 0.744 1.00 0.00 N ATOM 0 H ASN A 14 -1.729 15.431 2.889 1.00 0.00 H new ATOM 0 HA ASN A 14 1.034 15.031 3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.437 16.751 1.940 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.192 15.690 1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.021 19.080 0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.237 17.958 0.035 1.00 0.00 H new ATOM 190 N PRO A 15 1.687 17.094 4.935 1.00 0.00 N ATOM 191 CA PRO A 15 2.014 18.080 5.969 1.00 0.00 C ATOM 192 C PRO A 15 1.765 19.511 5.505 1.00 0.00 C ATOM 193 O PRO A 15 1.845 20.453 6.294 1.00 0.00 O ATOM 194 CB PRO A 15 3.507 17.851 6.218 1.00 0.00 C ATOM 195 CG PRO A 15 4.016 17.261 4.948 1.00 0.00 C ATOM 196 CD PRO A 15 2.888 16.437 4.393 1.00 0.00 C ATOM 0 HA PRO A 15 1.396 17.958 6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.017 18.785 6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.669 17.178 7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.311 18.041 4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.897 16.645 5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.889 16.437 3.303 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.955 15.397 4.712 1.00 0.00 H new ATOM 204 N ASP A 16 1.462 19.667 4.221 1.00 0.00 N ATOM 205 CA ASP A 16 1.200 20.984 3.652 1.00 0.00 C ATOM 206 C ASP A 16 -0.218 21.443 3.976 1.00 0.00 C ATOM 207 O ASP A 16 -0.433 22.579 4.397 1.00 0.00 O ATOM 208 CB ASP A 16 1.406 20.959 2.136 1.00 0.00 C ATOM 209 CG ASP A 16 0.897 22.217 1.461 1.00 0.00 C ATOM 210 OD1 ASP A 16 1.153 23.319 1.990 1.00 0.00 O ATOM 211 OD2 ASP A 16 0.242 22.099 0.405 1.00 0.00 O ATOM 0 H ASP A 16 1.392 18.898 3.555 1.00 0.00 H new ATOM 0 HA ASP A 16 1.902 21.690 4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.467 20.838 1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.894 20.093 1.717 1.00 0.00 H new ATOM 216 N GLY A 17 -1.184 20.552 3.777 1.00 0.00 N ATOM 217 CA GLY A 17 -2.570 20.885 4.052 1.00 0.00 C ATOM 218 C GLY A 17 -3.526 20.250 3.062 1.00 0.00 C ATOM 219 O GLY A 17 -4.209 20.948 2.314 1.00 0.00 O ATOM 0 H GLY A 17 -1.032 19.605 3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.826 20.559 5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.692 21.968 4.027 1.00 0.00 H new ATOM 223 N GLY A 18 -3.575 18.922 3.057 1.00 0.00 N ATOM 224 CA GLY A 18 -4.457 18.215 2.146 1.00 0.00 C ATOM 225 C GLY A 18 -4.331 16.710 2.267 1.00 0.00 C ATOM 226 O GLY A 18 -3.513 16.209 3.039 1.00 0.00 O ATOM 0 H GLY A 18 -3.020 18.322 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.488 18.507 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.232 18.514 1.122 1.00 0.00 H new ATOM 230 N SER A 19 -5.143 15.986 1.504 1.00 0.00 N ATOM 231 CA SER A 19 -5.122 14.528 1.533 1.00 0.00 C ATOM 232 C SER A 19 -5.497 13.952 0.171 1.00 0.00 C ATOM 233 O SER A 19 -6.524 14.309 -0.406 1.00 0.00 O ATOM 234 CB SER A 19 -6.083 14.005 2.602 1.00 0.00 C ATOM 235 OG SER A 19 -7.406 14.453 2.363 1.00 0.00 O ATOM 0 H SER A 19 -5.824 16.385 0.858 1.00 0.00 H new ATOM 0 HA SER A 19 -4.109 14.208 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.061 12.915 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.755 14.340 3.586 1.00 0.00 H new ATOM 0 HG SER A 19 -7.519 14.644 1.409 1.00 0.00 H new ATOM 241 N TYR A 20 -4.656 13.058 -0.338 1.00 0.00 N ATOM 242 CA TYR A 20 -4.895 12.434 -1.633 1.00 0.00 C ATOM 243 C TYR A 20 -5.245 10.958 -1.470 1.00 0.00 C ATOM 244 O TYR A 20 -4.670 10.260 -0.635 1.00 0.00 O ATOM 245 CB TYR A 20 -3.665 12.581 -2.530 1.00 0.00 C ATOM 246 CG TYR A 20 -2.964 13.913 -2.382 1.00 0.00 C ATOM 247 CD1 TYR A 20 -1.971 14.096 -1.429 1.00 0.00 C ATOM 248 CD2 TYR A 20 -3.297 14.989 -3.196 1.00 0.00 C ATOM 249 CE1 TYR A 20 -1.328 15.311 -1.290 1.00 0.00 C ATOM 250 CE2 TYR A 20 -2.659 16.207 -3.065 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.676 16.363 -2.111 1.00 0.00 C ATOM 252 OH TYR A 20 -1.039 17.576 -1.976 1.00 0.00 O ATOM 0 H TYR A 20 -3.802 12.750 0.127 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.739 12.940 -2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.961 11.782 -2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.966 12.452 -3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.696 13.274 -0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.068 14.871 -3.943 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.558 15.436 -0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.929 17.033 -3.707 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.400 18.210 -2.630 1.00 0.00 H new ATOM 262 N ALA A 21 -6.194 10.489 -2.274 1.00 0.00 N ATOM 263 CA ALA A 21 -6.620 9.096 -2.222 1.00 0.00 C ATOM 264 C ALA A 21 -5.746 8.221 -3.114 1.00 0.00 C ATOM 265 O ALA A 21 -5.787 8.330 -4.340 1.00 0.00 O ATOM 266 CB ALA A 21 -8.081 8.975 -2.629 1.00 0.00 C ATOM 0 H ALA A 21 -6.682 11.054 -2.969 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.510 8.747 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.385 7.929 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.698 9.561 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.208 9.348 -3.645 1.00 0.00 H new ATOM 272 N TYR A 22 -4.956 7.353 -2.492 1.00 0.00 N ATOM 273 CA TYR A 22 -4.069 6.461 -3.230 1.00 0.00 C ATOM 274 C TYR A 22 -4.694 5.077 -3.384 1.00 0.00 C ATOM 275 O TYR A 22 -5.519 4.662 -2.570 1.00 0.00 O ATOM 276 CB TYR A 22 -2.719 6.347 -2.520 1.00 0.00 C ATOM 277 CG TYR A 22 -1.810 7.532 -2.755 1.00 0.00 C ATOM 278 CD1 TYR A 22 -1.961 8.705 -2.025 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.799 7.479 -3.706 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.133 9.790 -2.237 1.00 0.00 C ATOM 281 CE2 TYR A 22 0.035 8.559 -3.924 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.137 9.712 -3.187 1.00 0.00 C ATOM 283 OH TYR A 22 0.691 10.790 -3.400 1.00 0.00 O ATOM 0 H TYR A 22 -4.912 7.248 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.915 6.883 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.889 6.237 -1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.216 5.441 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.739 8.769 -1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.662 6.578 -4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.265 10.694 -1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.817 8.501 -4.667 1.00 0.00 H new ATOM 0 HH TYR A 22 0.789 11.297 -2.567 1.00 0.00 H new ATOM 293 N ALA A 23 -4.293 4.368 -4.434 1.00 0.00 N ATOM 294 CA ALA A 23 -4.810 3.030 -4.694 1.00 0.00 C ATOM 295 C ALA A 23 -3.708 1.983 -4.575 1.00 0.00 C ATOM 296 O ALA A 23 -2.704 2.042 -5.286 1.00 0.00 O ATOM 297 CB ALA A 23 -5.450 2.971 -6.074 1.00 0.00 C ATOM 0 H ALA A 23 -3.612 4.698 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.569 2.808 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.832 1.966 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.271 3.686 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.706 3.218 -6.831 1.00 0.00 H new ATOM 303 N ILE A 24 -3.902 1.027 -3.673 1.00 0.00 N ATOM 304 CA ILE A 24 -2.924 -0.033 -3.462 1.00 0.00 C ATOM 305 C ILE A 24 -3.571 -1.260 -2.828 1.00 0.00 C ATOM 306 O ILE A 24 -4.411 -1.140 -1.937 1.00 0.00 O ATOM 307 CB ILE A 24 -1.763 0.441 -2.568 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.853 -0.735 -2.210 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.301 1.105 -1.309 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.553 -0.319 -1.837 1.00 0.00 C ATOM 0 H ILE A 24 -4.727 0.965 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.531 -0.299 -4.443 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.176 1.175 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.293 -1.285 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.808 -1.420 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.469 1.435 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.912 1.965 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.909 0.391 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.142 -1.204 -1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.012 0.205 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.519 0.342 -0.971 1.00 0.00 H new ATOM 322 N ASN A 25 -3.172 -2.439 -3.292 1.00 0.00 N ATOM 323 CA ASN A 25 -3.712 -3.689 -2.769 1.00 0.00 C ATOM 324 C ASN A 25 -3.240 -3.929 -1.338 1.00 0.00 C ATOM 325 O ASN A 25 -2.123 -3.577 -0.959 1.00 0.00 O ATOM 326 CB ASN A 25 -3.294 -4.861 -3.659 1.00 0.00 C ATOM 327 CG ASN A 25 -4.186 -5.011 -4.876 1.00 0.00 C ATOM 328 OD1 ASN A 25 -4.999 -5.932 -4.954 1.00 0.00 O ATOM 329 ND2 ASN A 25 -4.038 -4.102 -5.833 1.00 0.00 N ATOM 0 H ASN A 25 -2.477 -2.556 -4.029 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.799 -3.613 -2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.263 -4.718 -3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.320 -5.782 -3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.611 -4.150 -6.675 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.351 -3.356 -5.726 1.00 0.00 H new ATOM 336 N PRO A 26 -4.112 -4.542 -0.523 1.00 0.00 N ATOM 337 CA PRO A 26 -3.806 -4.843 0.879 1.00 0.00 C ATOM 338 C PRO A 26 -2.753 -5.937 1.020 1.00 0.00 C ATOM 339 O PRO A 26 -2.084 -6.038 2.048 1.00 0.00 O ATOM 340 CB PRO A 26 -5.149 -5.318 1.440 1.00 0.00 C ATOM 341 CG PRO A 26 -5.892 -5.837 0.257 1.00 0.00 C ATOM 342 CD PRO A 26 -5.461 -4.989 -0.907 1.00 0.00 C ATOM 0 HA PRO A 26 -3.391 -3.980 1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.011 -6.094 2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.689 -4.501 1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.661 -6.888 0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.969 -5.769 0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.446 -5.559 -1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.135 -4.146 -1.061 1.00 0.00 H new ATOM 350 N ASN A 27 -2.612 -6.755 -0.018 1.00 0.00 N ATOM 351 CA ASN A 27 -1.640 -7.842 -0.009 1.00 0.00 C ATOM 352 C ASN A 27 -0.231 -7.313 -0.259 1.00 0.00 C ATOM 353 O ASN A 27 0.746 -7.849 0.265 1.00 0.00 O ATOM 354 CB ASN A 27 -2.001 -8.886 -1.067 1.00 0.00 C ATOM 355 CG ASN A 27 -3.261 -9.654 -0.716 1.00 0.00 C ATOM 356 OD1 ASN A 27 -4.359 -9.294 -1.141 1.00 0.00 O ATOM 357 ND2 ASN A 27 -3.107 -10.718 0.063 1.00 0.00 N ATOM 0 H ASN A 27 -3.159 -6.686 -0.876 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.664 -8.310 0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.136 -8.392 -2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.173 -9.585 -1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.918 -11.274 0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.177 -10.979 0.392 1.00 0.00 H new ATOM 364 N SER A 28 -0.134 -6.259 -1.062 1.00 0.00 N ATOM 365 CA SER A 28 1.155 -5.659 -1.385 1.00 0.00 C ATOM 366 C SER A 28 1.810 -5.075 -0.137 1.00 0.00 C ATOM 367 O SER A 28 1.128 -4.678 0.808 1.00 0.00 O ATOM 368 CB SER A 28 0.984 -4.568 -2.444 1.00 0.00 C ATOM 369 OG SER A 28 2.211 -4.294 -3.097 1.00 0.00 O ATOM 0 H SER A 28 -0.933 -5.802 -1.501 1.00 0.00 H new ATOM 0 HA SER A 28 1.802 -6.441 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.241 -4.882 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.607 -3.659 -1.976 1.00 0.00 H new ATOM 0 HG SER A 28 2.074 -3.595 -3.770 1.00 0.00 H new ATOM 375 N PHE A 29 3.138 -5.025 -0.142 1.00 0.00 N ATOM 376 CA PHE A 29 3.887 -4.490 0.990 1.00 0.00 C ATOM 377 C PHE A 29 3.567 -3.013 1.204 1.00 0.00 C ATOM 378 O PHE A 29 2.899 -2.386 0.381 1.00 0.00 O ATOM 379 CB PHE A 29 5.389 -4.670 0.765 1.00 0.00 C ATOM 380 CG PHE A 29 5.783 -6.085 0.449 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.674 -7.079 1.409 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.260 -6.421 -0.807 1.00 0.00 C ATOM 383 CE1 PHE A 29 6.036 -8.381 1.121 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.623 -7.722 -1.101 1.00 0.00 C ATOM 385 CZ PHE A 29 6.510 -8.704 -0.136 1.00 0.00 C ATOM 0 H PHE A 29 3.718 -5.348 -0.917 1.00 0.00 H new ATOM 0 HA PHE A 29 3.592 -5.041 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.706 -4.022 -0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.924 -4.343 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.302 -6.833 2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.349 -5.658 -1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.948 -9.146 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.995 -7.970 -2.084 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.791 -9.722 -0.364 1.00 0.00 H new ATOM 395 N ILE A 30 4.048 -2.465 2.315 1.00 0.00 N ATOM 396 CA ILE A 30 3.814 -1.063 2.638 1.00 0.00 C ATOM 397 C ILE A 30 4.543 -0.146 1.662 1.00 0.00 C ATOM 398 O ILE A 30 3.969 0.817 1.150 1.00 0.00 O ATOM 399 CB ILE A 30 4.267 -0.732 4.072 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.367 -1.436 5.090 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.256 0.772 4.297 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.935 -0.948 5.068 1.00 0.00 C ATOM 0 H ILE A 30 4.602 -2.971 3.006 1.00 0.00 H new ATOM 0 HA ILE A 30 2.740 -0.895 2.558 1.00 0.00 H new ATOM 0 HB ILE A 30 5.287 -1.092 4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.380 -2.508 4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.777 -1.289 6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.579 0.990 5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.935 1.250 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.247 1.155 4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.354 -1.490 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.910 0.118 5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.507 -1.120 4.080 1.00 0.00 H new ATOM 414 N LEU A 31 5.810 -0.450 1.406 1.00 0.00 N ATOM 415 CA LEU A 31 6.619 0.346 0.489 1.00 0.00 C ATOM 416 C LEU A 31 5.821 0.719 -0.756 1.00 0.00 C ATOM 417 O LEU A 31 5.855 1.863 -1.208 1.00 0.00 O ATOM 418 CB LEU A 31 7.879 -0.423 0.090 1.00 0.00 C ATOM 419 CG LEU A 31 8.812 0.282 -0.895 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.750 1.226 -0.160 1.00 0.00 C ATOM 421 CD2 LEU A 31 9.603 -0.736 -1.703 1.00 0.00 C ATOM 0 H LEU A 31 6.300 -1.243 1.821 1.00 0.00 H new ATOM 0 HA LEU A 31 6.909 1.264 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.443 -0.651 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.577 -1.375 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 31 8.204 0.869 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.406 1.719 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.167 1.977 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.351 0.660 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.262 -0.216 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.200 -1.351 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.915 -1.372 -2.261 1.00 0.00 H new ATOM 433 N GLY A 32 5.101 -0.254 -1.306 1.00 0.00 N ATOM 434 CA GLY A 32 4.303 -0.008 -2.492 1.00 0.00 C ATOM 435 C GLY A 32 3.528 1.292 -2.410 1.00 0.00 C ATOM 436 O GLY A 32 3.405 2.015 -3.400 1.00 0.00 O ATOM 0 H GLY A 32 5.056 -1.209 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.954 0.015 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.607 -0.834 -2.635 1.00 0.00 H new ATOM 440 N LEU A 33 3.001 1.591 -1.227 1.00 0.00 N ATOM 441 CA LEU A 33 2.231 2.812 -1.019 1.00 0.00 C ATOM 442 C LEU A 33 3.138 4.038 -1.043 1.00 0.00 C ATOM 443 O LEU A 33 2.819 5.048 -1.670 1.00 0.00 O ATOM 444 CB LEU A 33 1.481 2.745 0.312 1.00 0.00 C ATOM 445 CG LEU A 33 0.799 4.036 0.765 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.060 4.607 -0.353 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.038 3.789 2.011 1.00 0.00 C ATOM 0 H LEU A 33 3.093 1.004 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 33 1.510 2.900 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.724 1.964 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.184 2.438 1.087 1.00 0.00 H new ATOM 0 HG LEU A 33 1.571 4.765 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.537 5.526 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.566 4.823 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.825 3.882 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.516 4.719 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.802 3.043 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.604 3.428 2.815 1.00 0.00 H new ATOM 459 N LYS A 34 4.272 3.942 -0.356 1.00 0.00 N ATOM 460 CA LYS A 34 5.228 5.042 -0.301 1.00 0.00 C ATOM 461 C LYS A 34 5.769 5.363 -1.690 1.00 0.00 C ATOM 462 O LYS A 34 5.734 6.513 -2.128 1.00 0.00 O ATOM 463 CB LYS A 34 6.384 4.692 0.640 1.00 0.00 C ATOM 464 CG LYS A 34 6.089 4.983 2.101 1.00 0.00 C ATOM 465 CD LYS A 34 5.209 3.908 2.717 1.00 0.00 C ATOM 466 CE LYS A 34 5.459 3.772 4.211 1.00 0.00 C ATOM 467 NZ LYS A 34 5.699 5.093 4.856 1.00 0.00 N ATOM 0 H LYS A 34 4.551 3.114 0.170 1.00 0.00 H new ATOM 0 HA LYS A 34 4.710 5.922 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.623 3.634 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.269 5.252 0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.025 5.050 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.597 5.952 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.161 4.151 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.401 2.954 2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.602 3.289 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.320 3.125 4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.339 5.074 5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.719 5.293 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.206 5.836 4.320 1.00 0.00 H new ATOM 481 N GLN A 35 6.266 4.341 -2.378 1.00 0.00 N ATOM 482 CA GLN A 35 6.813 4.516 -3.718 1.00 0.00 C ATOM 483 C GLN A 35 5.892 5.379 -4.574 1.00 0.00 C ATOM 484 O GLN A 35 6.351 6.252 -5.310 1.00 0.00 O ATOM 485 CB GLN A 35 7.025 3.157 -4.387 1.00 0.00 C ATOM 486 CG GLN A 35 8.018 3.193 -5.538 1.00 0.00 C ATOM 487 CD GLN A 35 9.455 3.058 -5.073 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.901 1.970 -4.705 1.00 0.00 O ATOM 489 NE2 GLN A 35 10.189 4.164 -5.089 1.00 0.00 N ATOM 0 H GLN A 35 6.301 3.383 -2.030 1.00 0.00 H new ATOM 0 HA GLN A 35 7.774 5.022 -3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.373 2.444 -3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.067 2.790 -4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.789 2.388 -6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.903 4.130 -6.083 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.779 5.044 -5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.163 4.134 -4.789 1.00 0.00 H new ATOM 498 N GLN A 36 4.591 5.127 -4.472 1.00 0.00 N ATOM 499 CA GLN A 36 3.605 5.881 -5.238 1.00 0.00 C ATOM 500 C GLN A 36 3.701 7.372 -4.930 1.00 0.00 C ATOM 501 O GLN A 36 3.509 8.210 -5.811 1.00 0.00 O ATOM 502 CB GLN A 36 2.194 5.375 -4.931 1.00 0.00 C ATOM 503 CG GLN A 36 1.765 4.205 -5.802 1.00 0.00 C ATOM 504 CD GLN A 36 0.266 3.983 -5.784 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.467 4.544 -6.599 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.200 3.160 -4.851 1.00 0.00 N ATOM 0 H GLN A 36 4.195 4.407 -3.867 1.00 0.00 H new ATOM 0 HA GLN A 36 3.814 5.733 -6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.144 5.076 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.487 6.194 -5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.090 4.382 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.267 3.300 -5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.443 2.716 -4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.201 2.972 -4.790 1.00 0.00 H new ATOM 515 N ILE A 37 3.999 7.694 -3.676 1.00 0.00 N ATOM 516 CA ILE A 37 4.121 9.084 -3.254 1.00 0.00 C ATOM 517 C ILE A 37 5.362 9.734 -3.854 1.00 0.00 C ATOM 518 O ILE A 37 5.339 10.904 -4.234 1.00 0.00 O ATOM 519 CB ILE A 37 4.184 9.202 -1.719 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.913 8.629 -1.089 1.00 0.00 C ATOM 521 CG2 ILE A 37 4.378 10.654 -1.308 1.00 0.00 C ATOM 522 CD1 ILE A 37 3.105 8.158 0.336 1.00 0.00 C ATOM 0 H ILE A 37 4.160 7.012 -2.935 1.00 0.00 H new ATOM 0 HA ILE A 37 3.233 9.603 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 37 5.036 8.626 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.132 9.389 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.561 7.794 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.421 10.722 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.309 11.031 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.544 11.251 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.164 7.764 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.863 7.375 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.427 8.995 0.956 1.00 0.00 H new ATOM 534 N GLU A 38 6.444 8.966 -3.938 1.00 0.00 N ATOM 535 CA GLU A 38 7.695 9.468 -4.494 1.00 0.00 C ATOM 536 C GLU A 38 7.591 9.632 -6.008 1.00 0.00 C ATOM 537 O GLU A 38 8.296 10.446 -6.605 1.00 0.00 O ATOM 538 CB GLU A 38 8.848 8.522 -4.151 1.00 0.00 C ATOM 539 CG GLU A 38 10.123 8.811 -4.924 1.00 0.00 C ATOM 540 CD GLU A 38 10.174 8.090 -6.256 1.00 0.00 C ATOM 541 OE1 GLU A 38 10.391 6.860 -6.257 1.00 0.00 O ATOM 542 OE2 GLU A 38 9.997 8.754 -7.299 1.00 0.00 O ATOM 0 H GLU A 38 6.479 7.995 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 38 7.892 10.445 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.057 8.590 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.537 7.497 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.205 9.885 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.983 8.516 -4.322 1.00 0.00 H new ATOM 549 N ASP A 39 6.708 8.852 -6.622 1.00 0.00 N ATOM 550 CA ASP A 39 6.510 8.910 -8.065 1.00 0.00 C ATOM 551 C ASP A 39 5.447 9.943 -8.427 1.00 0.00 C ATOM 552 O ASP A 39 5.339 10.358 -9.581 1.00 0.00 O ATOM 553 CB ASP A 39 6.108 7.536 -8.602 1.00 0.00 C ATOM 554 CG ASP A 39 7.294 6.604 -8.755 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.370 7.078 -9.175 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.146 5.401 -8.455 1.00 0.00 O ATOM 0 H ASP A 39 6.118 8.172 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 39 7.452 9.209 -8.524 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.380 7.085 -7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.617 7.656 -9.568 1.00 0.00 H new ATOM 561 N GLN A 40 4.663 10.351 -7.434 1.00 0.00 N ATOM 562 CA GLN A 40 3.607 11.333 -7.649 1.00 0.00 C ATOM 563 C GLN A 40 4.033 12.709 -7.149 1.00 0.00 C ATOM 564 O GLN A 40 4.034 13.681 -7.904 1.00 0.00 O ATOM 565 CB GLN A 40 2.323 10.895 -6.942 1.00 0.00 C ATOM 566 CG GLN A 40 1.703 9.638 -7.529 1.00 0.00 C ATOM 567 CD GLN A 40 1.074 9.877 -8.888 1.00 0.00 C ATOM 568 OE1 GLN A 40 1.759 10.225 -9.850 1.00 0.00 O ATOM 569 NE2 GLN A 40 -0.238 9.690 -8.973 1.00 0.00 N ATOM 0 H GLN A 40 4.739 10.017 -6.473 1.00 0.00 H new ATOM 0 HA GLN A 40 3.419 11.399 -8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.539 10.725 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.596 11.706 -6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.469 8.867 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.945 9.257 -6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.766 9.401 -8.150 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.717 9.835 -9.862 1.00 0.00 H new ATOM 578 N GLN A 41 4.395 12.783 -5.872 1.00 0.00 N ATOM 579 CA GLN A 41 4.822 14.041 -5.271 1.00 0.00 C ATOM 580 C GLN A 41 6.269 14.356 -5.639 1.00 0.00 C ATOM 581 O GLN A 41 6.634 15.516 -5.824 1.00 0.00 O ATOM 582 CB GLN A 41 4.671 13.982 -3.750 1.00 0.00 C ATOM 583 CG GLN A 41 3.268 13.619 -3.292 1.00 0.00 C ATOM 584 CD GLN A 41 2.357 14.827 -3.190 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.626 15.148 -4.127 1.00 0.00 O ATOM 586 NE2 GLN A 41 2.396 15.503 -2.048 1.00 0.00 N ATOM 0 H GLN A 41 4.401 11.987 -5.234 1.00 0.00 H new ATOM 0 HA GLN A 41 4.186 14.835 -5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.375 13.251 -3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.943 14.950 -3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.837 12.901 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.323 13.127 -2.321 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.017 15.201 -1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.805 16.324 -1.921 1.00 0.00 H new ATOM 595 N GLY A 42 7.088 13.314 -5.742 1.00 0.00 N ATOM 596 CA GLY A 42 8.486 13.501 -6.087 1.00 0.00 C ATOM 597 C GLY A 42 9.398 13.404 -4.880 1.00 0.00 C ATOM 598 O GLY A 42 10.600 13.171 -5.018 1.00 0.00 O ATOM 0 H GLY A 42 6.809 12.344 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.779 12.751 -6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.614 14.476 -6.558 1.00 0.00 H new ATOM 602 N LEU A 43 8.829 13.584 -3.694 1.00 0.00 N ATOM 603 CA LEU A 43 9.599 13.517 -2.457 1.00 0.00 C ATOM 604 C LEU A 43 10.305 12.171 -2.328 1.00 0.00 C ATOM 605 O LEU A 43 9.749 11.118 -2.639 1.00 0.00 O ATOM 606 CB LEU A 43 8.686 13.745 -1.251 1.00 0.00 C ATOM 607 CG LEU A 43 9.334 14.405 -0.034 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.296 15.164 0.778 1.00 0.00 C ATOM 609 CD2 LEU A 43 10.032 13.364 0.829 1.00 0.00 C ATOM 0 H LEU A 43 7.836 13.778 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 43 10.355 14.302 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.845 14.361 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.277 12.783 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 43 10.081 15.116 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.776 15.627 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.842 15.936 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.525 14.473 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.488 13.852 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.304 12.628 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.805 12.865 0.244 1.00 0.00 H new ATOM 621 N PRO A 44 11.561 12.204 -1.856 1.00 0.00 N ATOM 622 CA PRO A 44 12.369 10.995 -1.672 1.00 0.00 C ATOM 623 C PRO A 44 11.858 10.124 -0.529 1.00 0.00 C ATOM 624 O PRO A 44 11.275 10.624 0.434 1.00 0.00 O ATOM 625 CB PRO A 44 13.760 11.545 -1.344 1.00 0.00 C ATOM 626 CG PRO A 44 13.507 12.893 -0.764 1.00 0.00 C ATOM 627 CD PRO A 44 12.287 13.424 -1.465 1.00 0.00 C ATOM 0 HA PRO A 44 12.346 10.352 -2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.283 10.902 -0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.381 11.609 -2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.342 12.830 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.363 13.551 -0.918 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.688 14.055 -0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.553 14.029 -2.332 1.00 0.00 H new ATOM 635 N LYS A 45 12.079 8.819 -0.642 1.00 0.00 N ATOM 636 CA LYS A 45 11.643 7.878 0.382 1.00 0.00 C ATOM 637 C LYS A 45 12.474 8.030 1.652 1.00 0.00 C ATOM 638 O LYS A 45 12.030 7.676 2.744 1.00 0.00 O ATOM 639 CB LYS A 45 11.746 6.442 -0.138 1.00 0.00 C ATOM 640 CG LYS A 45 11.165 6.256 -1.529 1.00 0.00 C ATOM 641 CD LYS A 45 9.695 5.873 -1.472 1.00 0.00 C ATOM 642 CE LYS A 45 9.509 4.449 -0.970 1.00 0.00 C ATOM 643 NZ LYS A 45 9.376 4.397 0.513 1.00 0.00 N ATOM 0 H LYS A 45 12.558 8.389 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 45 10.603 8.098 0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.794 6.142 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.231 5.776 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.280 7.178 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.723 5.483 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.163 6.563 -0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.254 5.971 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.621 4.015 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.359 3.841 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.602 3.751 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.265 4.055 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.167 5.349 0.876 1.00 0.00 H new ATOM 657 N LYS A 46 13.683 8.561 1.502 1.00 0.00 N ATOM 658 CA LYS A 46 14.577 8.764 2.636 1.00 0.00 C ATOM 659 C LYS A 46 14.120 9.947 3.484 1.00 0.00 C ATOM 660 O LYS A 46 14.789 10.329 4.443 1.00 0.00 O ATOM 661 CB LYS A 46 16.009 8.996 2.148 1.00 0.00 C ATOM 662 CG LYS A 46 16.125 10.090 1.102 1.00 0.00 C ATOM 663 CD LYS A 46 17.549 10.609 0.993 1.00 0.00 C ATOM 664 CE LYS A 46 18.368 9.788 0.009 1.00 0.00 C ATOM 665 NZ LYS A 46 19.830 9.916 0.260 1.00 0.00 N ATOM 0 H LYS A 46 14.066 8.859 0.605 1.00 0.00 H new ATOM 0 HA LYS A 46 14.551 7.866 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.638 9.252 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.398 8.066 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.802 9.705 0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.456 10.912 1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.534 11.651 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.023 10.582 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.078 8.740 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.145 10.111 -1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.353 9.341 -0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.112 10.913 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.048 9.584 1.221 1.00 0.00 H new ATOM 679 N GLN A 47 12.976 10.521 3.123 1.00 0.00 N ATOM 680 CA GLN A 47 12.430 11.659 3.852 1.00 0.00 C ATOM 681 C GLN A 47 10.988 11.396 4.272 1.00 0.00 C ATOM 682 O GLN A 47 10.589 11.720 5.391 1.00 0.00 O ATOM 683 CB GLN A 47 12.502 12.923 2.994 1.00 0.00 C ATOM 684 CG GLN A 47 13.872 13.582 2.993 1.00 0.00 C ATOM 685 CD GLN A 47 13.826 15.025 2.531 1.00 0.00 C ATOM 686 OE1 GLN A 47 12.759 15.556 2.221 1.00 0.00 O ATOM 687 NE2 GLN A 47 14.986 15.669 2.483 1.00 0.00 N ATOM 0 H GLN A 47 12.410 10.216 2.331 1.00 0.00 H new ATOM 0 HA GLN A 47 13.029 11.804 4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.228 12.672 1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.764 13.639 3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.292 13.540 3.998 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.542 13.018 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.846 15.190 2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.017 16.643 2.180 1.00 0.00 H new ATOM 696 N GLN A 48 10.211 10.809 3.368 1.00 0.00 N ATOM 697 CA GLN A 48 8.813 10.503 3.645 1.00 0.00 C ATOM 698 C GLN A 48 8.693 9.440 4.732 1.00 0.00 C ATOM 699 O GLN A 48 9.356 8.405 4.675 1.00 0.00 O ATOM 700 CB GLN A 48 8.110 10.030 2.372 1.00 0.00 C ATOM 701 CG GLN A 48 8.197 8.529 2.151 1.00 0.00 C ATOM 702 CD GLN A 48 7.674 8.107 0.792 1.00 0.00 C ATOM 703 OE1 GLN A 48 6.690 7.374 0.692 1.00 0.00 O ATOM 704 NE2 GLN A 48 8.332 8.570 -0.265 1.00 0.00 N ATOM 0 H GLN A 48 10.526 10.536 2.437 1.00 0.00 H new ATOM 0 HA GLN A 48 8.332 11.414 3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.061 10.322 2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.547 10.541 1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.235 8.211 2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.630 8.018 2.929 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.143 9.175 -0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.026 8.320 -1.206 1.00 0.00 H new ATOM 713 N GLN A 49 7.844 9.703 5.720 1.00 0.00 N ATOM 714 CA GLN A 49 7.638 8.768 6.820 1.00 0.00 C ATOM 715 C GLN A 49 6.181 8.770 7.271 1.00 0.00 C ATOM 716 O GLN A 49 5.698 9.749 7.842 1.00 0.00 O ATOM 717 CB GLN A 49 8.549 9.124 7.996 1.00 0.00 C ATOM 718 CG GLN A 49 8.688 8.007 9.017 1.00 0.00 C ATOM 719 CD GLN A 49 9.392 8.456 10.282 1.00 0.00 C ATOM 720 OE1 GLN A 49 10.535 8.077 10.539 1.00 0.00 O ATOM 721 NE2 GLN A 49 8.711 9.270 11.081 1.00 0.00 N ATOM 0 H GLN A 49 7.288 10.556 5.781 1.00 0.00 H new ATOM 0 HA GLN A 49 7.888 7.768 6.466 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.537 9.381 7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.158 10.012 8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.698 7.628 9.272 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.241 7.180 8.572 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.766 9.559 10.829 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.133 9.606 11.947 1.00 0.00 H new ATOM 730 N LEU A 50 5.485 7.669 7.011 1.00 0.00 N ATOM 731 CA LEU A 50 4.082 7.543 7.390 1.00 0.00 C ATOM 732 C LEU A 50 3.944 6.855 8.744 1.00 0.00 C ATOM 733 O LEU A 50 4.692 5.931 9.061 1.00 0.00 O ATOM 734 CB LEU A 50 3.315 6.757 6.325 1.00 0.00 C ATOM 735 CG LEU A 50 3.268 7.384 4.932 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.662 6.413 3.930 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.481 8.686 4.958 1.00 0.00 C ATOM 0 H LEU A 50 5.869 6.850 6.539 1.00 0.00 H new ATOM 0 HA LEU A 50 3.660 8.545 7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.762 5.767 6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.292 6.616 6.673 1.00 0.00 H new ATOM 0 HG LEU A 50 4.289 7.606 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.637 6.877 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.267 5.507 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.648 6.159 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.459 9.118 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.462 8.489 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.958 9.386 5.644 1.00 0.00 H new ATOM 749 N GLU A 51 2.981 7.312 9.539 1.00 0.00 N ATOM 750 CA GLU A 51 2.744 6.740 10.859 1.00 0.00 C ATOM 751 C GLU A 51 1.251 6.546 11.108 1.00 0.00 C ATOM 752 O GLU A 51 0.435 7.394 10.748 1.00 0.00 O ATOM 753 CB GLU A 51 3.341 7.639 11.943 1.00 0.00 C ATOM 754 CG GLU A 51 4.860 7.627 11.977 1.00 0.00 C ATOM 755 CD GLU A 51 5.435 8.774 12.784 1.00 0.00 C ATOM 756 OE1 GLU A 51 5.255 8.778 14.020 1.00 0.00 O ATOM 757 OE2 GLU A 51 6.063 9.669 12.181 1.00 0.00 O ATOM 0 H GLU A 51 2.353 8.077 9.292 1.00 0.00 H new ATOM 0 HA GLU A 51 3.230 5.765 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.998 8.661 11.785 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.962 7.323 12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.203 6.683 12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.243 7.677 10.958 1.00 0.00 H new ATOM 764 N PHE A 52 0.902 5.422 11.725 1.00 0.00 N ATOM 765 CA PHE A 52 -0.493 5.115 12.021 1.00 0.00 C ATOM 766 C PHE A 52 -0.669 4.750 13.493 1.00 0.00 C ATOM 767 O PHE A 52 -0.153 3.734 13.956 1.00 0.00 O ATOM 768 CB PHE A 52 -0.983 3.966 11.138 1.00 0.00 C ATOM 769 CG PHE A 52 -2.478 3.829 11.107 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.274 4.879 10.677 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.088 2.650 11.506 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.650 4.755 10.648 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.464 2.521 11.479 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.246 3.575 11.048 1.00 0.00 C ATOM 0 H PHE A 52 1.565 4.709 12.030 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.087 6.004 11.811 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.619 4.119 10.122 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.548 3.033 11.496 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.814 5.804 10.361 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.481 1.822 11.842 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.260 5.581 10.312 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.927 1.598 11.794 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.321 3.477 11.024 1.00 0.00 H new ATOM 784 N GLN A 53 -1.400 5.589 14.220 1.00 0.00 N ATOM 785 CA GLN A 53 -1.642 5.356 15.639 1.00 0.00 C ATOM 786 C GLN A 53 -0.360 5.531 16.447 1.00 0.00 C ATOM 787 O GLN A 53 -0.164 4.874 17.468 1.00 0.00 O ATOM 788 CB GLN A 53 -2.210 3.952 15.857 1.00 0.00 C ATOM 789 CG GLN A 53 -3.366 3.613 14.932 1.00 0.00 C ATOM 790 CD GLN A 53 -4.529 4.576 15.073 1.00 0.00 C ATOM 791 OE1 GLN A 53 -4.773 5.119 16.150 1.00 0.00 O ATOM 792 NE2 GLN A 53 -5.254 4.793 13.981 1.00 0.00 N ATOM 0 H GLN A 53 -1.834 6.435 13.851 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.369 6.092 15.983 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.414 3.221 15.713 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.544 3.861 16.891 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.015 3.622 13.900 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.710 2.600 15.143 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.016 4.321 13.109 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.049 5.431 14.015 1.00 0.00 H new ATOM 801 N GLY A 54 0.510 6.421 15.981 1.00 0.00 N ATOM 802 CA GLY A 54 1.763 6.665 16.671 1.00 0.00 C ATOM 803 C GLY A 54 2.753 5.531 16.495 1.00 0.00 C ATOM 804 O GLY A 54 3.500 5.203 17.417 1.00 0.00 O ATOM 0 H GLY A 54 0.370 6.978 15.138 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.205 7.590 16.299 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.567 6.810 17.733 1.00 0.00 H new ATOM 808 N GLN A 55 2.758 4.930 15.310 1.00 0.00 N ATOM 809 CA GLN A 55 3.662 3.825 15.018 1.00 0.00 C ATOM 810 C GLN A 55 4.353 4.027 13.673 1.00 0.00 C ATOM 811 O GLN A 55 3.812 4.673 12.776 1.00 0.00 O ATOM 812 CB GLN A 55 2.898 2.499 15.017 1.00 0.00 C ATOM 813 CG GLN A 55 2.302 2.142 13.666 1.00 0.00 C ATOM 814 CD GLN A 55 1.213 1.092 13.768 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.950 0.556 14.845 1.00 0.00 O ATOM 816 NE2 GLN A 55 0.571 0.793 12.644 1.00 0.00 N ATOM 0 H GLN A 55 2.146 5.190 14.537 1.00 0.00 H new ATOM 0 HA GLN A 55 4.424 3.797 15.797 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.571 1.701 15.330 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.098 2.549 15.756 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.893 3.041 13.205 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.092 1.778 13.009 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.821 1.262 11.773 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.172 0.095 12.652 1.00 0.00 H new ATOM 825 N VAL A 56 5.553 3.471 13.540 1.00 0.00 N ATOM 826 CA VAL A 56 6.318 3.589 12.305 1.00 0.00 C ATOM 827 C VAL A 56 6.275 2.292 11.505 1.00 0.00 C ATOM 828 O VAL A 56 6.821 1.272 11.926 1.00 0.00 O ATOM 829 CB VAL A 56 7.787 3.956 12.588 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.557 4.120 11.286 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.868 5.222 13.428 1.00 0.00 C ATOM 0 H VAL A 56 6.016 2.934 14.273 1.00 0.00 H new ATOM 0 HA VAL A 56 5.857 4.387 11.723 1.00 0.00 H new ATOM 0 HB VAL A 56 8.244 3.143 13.153 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.593 4.379 11.506 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.528 3.185 10.726 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.103 4.913 10.692 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.913 5.466 13.618 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.395 6.045 12.892 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.354 5.063 14.376 1.00 0.00 H new ATOM 841 N LEU A 57 5.623 2.339 10.348 1.00 0.00 N ATOM 842 CA LEU A 57 5.509 1.167 9.487 1.00 0.00 C ATOM 843 C LEU A 57 6.833 0.872 8.790 1.00 0.00 C ATOM 844 O LEU A 57 7.676 1.756 8.641 1.00 0.00 O ATOM 845 CB LEU A 57 4.408 1.380 8.447 1.00 0.00 C ATOM 846 CG LEU A 57 3.128 2.049 8.951 1.00 0.00 C ATOM 847 CD1 LEU A 57 2.255 2.479 7.782 1.00 0.00 C ATOM 848 CD2 LEU A 57 2.364 1.110 9.873 1.00 0.00 C ATOM 0 H LEU A 57 5.166 3.175 9.985 1.00 0.00 H new ATOM 0 HA LEU A 57 5.250 0.312 10.111 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.814 1.984 7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.145 0.411 8.022 1.00 0.00 H new ATOM 0 HG LEU A 57 3.404 2.938 9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.349 2.953 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.803 3.187 7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.987 1.606 7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.456 1.602 10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.099 0.203 9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.989 0.852 10.728 1.00 0.00 H new ATOM 860 N GLN A 58 7.006 -0.375 8.364 1.00 0.00 N ATOM 861 CA GLN A 58 8.227 -0.785 7.681 1.00 0.00 C ATOM 862 C GLN A 58 7.975 -0.992 6.191 1.00 0.00 C ATOM 863 O GLN A 58 6.828 -1.094 5.754 1.00 0.00 O ATOM 864 CB GLN A 58 8.776 -2.072 8.301 1.00 0.00 C ATOM 865 CG GLN A 58 8.952 -1.993 9.808 1.00 0.00 C ATOM 866 CD GLN A 58 10.198 -1.228 10.211 1.00 0.00 C ATOM 867 OE1 GLN A 58 11.148 -1.114 9.436 1.00 0.00 O ATOM 868 NE2 GLN A 58 10.200 -0.700 11.429 1.00 0.00 N ATOM 0 H GLN A 58 6.317 -1.118 8.480 1.00 0.00 H new ATOM 0 HA GLN A 58 8.963 0.010 7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.102 -2.896 8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.737 -2.305 7.843 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.078 -1.513 10.247 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.001 -3.002 10.218 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.390 -0.819 12.038 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.011 -0.175 11.756 1.00 0.00 H new ATOM 877 N ASP A 59 9.052 -1.053 5.417 1.00 0.00 N ATOM 878 CA ASP A 59 8.948 -1.248 3.975 1.00 0.00 C ATOM 879 C ASP A 59 8.705 -2.717 3.642 1.00 0.00 C ATOM 880 O ASP A 59 7.993 -3.038 2.690 1.00 0.00 O ATOM 881 CB ASP A 59 10.218 -0.757 3.279 1.00 0.00 C ATOM 882 CG ASP A 59 10.792 0.486 3.931 1.00 0.00 C ATOM 883 OD1 ASP A 59 10.364 1.600 3.563 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.668 0.344 4.808 1.00 0.00 O ATOM 0 H ASP A 59 10.008 -0.970 5.763 1.00 0.00 H new ATOM 0 HA ASP A 59 8.099 -0.667 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.966 -1.550 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.997 -0.546 2.233 1.00 0.00 H new ATOM 889 N TRP A 60 9.303 -3.603 4.430 1.00 0.00 N ATOM 890 CA TRP A 60 9.152 -5.038 4.218 1.00 0.00 C ATOM 891 C TRP A 60 7.768 -5.510 4.648 1.00 0.00 C ATOM 892 O TRP A 60 7.224 -6.463 4.088 1.00 0.00 O ATOM 893 CB TRP A 60 10.228 -5.804 4.989 1.00 0.00 C ATOM 894 CG TRP A 60 9.820 -6.154 6.388 1.00 0.00 C ATOM 895 CD1 TRP A 60 8.979 -7.160 6.769 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.234 -5.497 7.592 1.00 0.00 C ATOM 897 NE1 TRP A 60 8.845 -7.169 8.137 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.606 -6.159 8.665 1.00 0.00 C ATOM 899 CE3 TRP A 60 11.076 -4.417 7.867 1.00 0.00 C ATOM 900 CZ2 TRP A 60 9.793 -5.773 9.989 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.261 -4.035 9.182 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.622 -4.712 10.230 1.00 0.00 C ATOM 0 H TRP A 60 9.897 -3.353 5.221 1.00 0.00 H new ATOM 0 HA TRP A 60 9.267 -5.236 3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.470 -6.719 4.449 1.00 0.00 H new ATOM 0 HB3 TRP A 60 11.137 -5.204 5.023 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.491 -7.848 6.094 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.272 -7.822 8.672 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.573 -3.890 7.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.301 -6.293 10.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.909 -3.201 9.406 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.787 -4.390 11.247 1.00 0.00 H new ATOM 913 N LEU A 61 7.202 -4.838 5.645 1.00 0.00 N ATOM 914 CA LEU A 61 5.879 -5.189 6.150 1.00 0.00 C ATOM 915 C LEU A 61 4.803 -4.898 5.108 1.00 0.00 C ATOM 916 O LEU A 61 5.082 -4.320 4.059 1.00 0.00 O ATOM 917 CB LEU A 61 5.582 -4.418 7.436 1.00 0.00 C ATOM 918 CG LEU A 61 6.445 -4.774 8.647 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.257 -3.750 9.756 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.112 -6.172 9.148 1.00 0.00 C ATOM 0 H LEU A 61 7.638 -4.047 6.119 1.00 0.00 H new ATOM 0 HA LEU A 61 5.871 -6.258 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.698 -3.353 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.537 -4.580 7.700 1.00 0.00 H new ATOM 0 HG LEU A 61 7.491 -4.760 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.879 -4.020 10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.546 -2.764 9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.211 -3.732 10.061 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.736 -6.408 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.062 -6.214 9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.299 -6.897 8.356 1.00 0.00 H new ATOM 932 N GLY A 62 3.572 -5.301 5.408 1.00 0.00 N ATOM 933 CA GLY A 62 2.473 -5.072 4.488 1.00 0.00 C ATOM 934 C GLY A 62 1.322 -4.326 5.135 1.00 0.00 C ATOM 935 O GLY A 62 1.306 -4.127 6.350 1.00 0.00 O ATOM 0 H GLY A 62 3.316 -5.781 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.833 -4.504 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.115 -6.029 4.109 1.00 0.00 H new ATOM 939 N LEU A 63 0.357 -3.912 4.322 1.00 0.00 N ATOM 940 CA LEU A 63 -0.803 -3.182 4.821 1.00 0.00 C ATOM 941 C LEU A 63 -1.643 -4.059 5.744 1.00 0.00 C ATOM 942 O LEU A 63 -1.950 -3.677 6.872 1.00 0.00 O ATOM 943 CB LEU A 63 -1.658 -2.684 3.654 1.00 0.00 C ATOM 944 CG LEU A 63 -1.070 -1.537 2.833 1.00 0.00 C ATOM 945 CD1 LEU A 63 -0.186 -2.077 1.719 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.179 -0.666 2.261 1.00 0.00 C ATOM 0 H LEU A 63 0.355 -4.069 3.314 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.444 -2.326 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.848 -3.523 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.623 -2.365 4.047 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.456 -0.922 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.224 -1.246 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.630 -2.657 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.777 -2.715 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.741 0.145 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.820 -1.269 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.772 -0.250 3.076 1.00 0.00 H new ATOM 958 N GLY A 64 -2.011 -5.240 5.255 1.00 0.00 N ATOM 959 CA GLY A 64 -2.810 -6.155 6.050 1.00 0.00 C ATOM 960 C GLY A 64 -2.066 -6.669 7.266 1.00 0.00 C ATOM 961 O GLY A 64 -2.678 -7.012 8.278 1.00 0.00 O ATOM 0 H GLY A 64 -1.770 -5.579 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.721 -5.651 6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.114 -6.999 5.431 1.00 0.00 H new ATOM 965 N ILE A 65 -0.742 -6.723 7.168 1.00 0.00 N ATOM 966 CA ILE A 65 0.086 -7.199 8.270 1.00 0.00 C ATOM 967 C ILE A 65 -0.205 -6.426 9.551 1.00 0.00 C ATOM 968 O ILE A 65 -0.332 -7.011 10.627 1.00 0.00 O ATOM 969 CB ILE A 65 1.586 -7.078 7.940 1.00 0.00 C ATOM 970 CG1 ILE A 65 1.927 -7.912 6.703 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.427 -7.517 9.129 1.00 0.00 C ATOM 972 CD1 ILE A 65 2.023 -9.395 6.981 1.00 0.00 C ATOM 0 H ILE A 65 -0.220 -6.443 6.338 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.162 -8.250 8.419 1.00 0.00 H new ATOM 0 HB ILE A 65 1.813 -6.034 7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.167 -7.742 5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.875 -7.566 6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.484 -7.426 8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.200 -6.885 9.988 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.200 -8.555 9.372 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.267 -9.923 6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.803 -9.577 7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.068 -9.756 7.364 1.00 0.00 H new ATOM 984 N TYR A 66 -0.312 -5.107 9.428 1.00 0.00 N ATOM 985 CA TYR A 66 -0.588 -4.252 10.576 1.00 0.00 C ATOM 986 C TYR A 66 -2.067 -4.300 10.948 1.00 0.00 C ATOM 987 O TYR A 66 -2.420 -4.455 12.116 1.00 0.00 O ATOM 988 CB TYR A 66 -0.172 -2.811 10.277 1.00 0.00 C ATOM 989 CG TYR A 66 1.283 -2.526 10.576 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.715 -2.307 11.878 1.00 0.00 C ATOM 991 CD2 TYR A 66 2.225 -2.477 9.556 1.00 0.00 C ATOM 992 CE1 TYR A 66 3.043 -2.046 12.155 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.555 -2.218 9.824 1.00 0.00 C ATOM 994 CZ TYR A 66 3.959 -2.002 11.125 1.00 0.00 C ATOM 995 OH TYR A 66 5.283 -1.744 11.397 1.00 0.00 O ATOM 0 H TYR A 66 -0.212 -4.607 8.545 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.007 -4.623 11.421 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.367 -2.596 9.226 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.794 -2.133 10.862 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.001 -2.341 12.687 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.912 -2.644 8.536 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.362 -1.877 13.173 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.275 -2.185 9.019 1.00 0.00 H new ATOM 0 HH TYR A 66 5.634 -2.433 11.999 1.00 0.00 H new ATOM 1005 N GLY A 67 -2.927 -4.166 9.943 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.358 -4.197 10.183 1.00 0.00 C ATOM 1007 C GLY A 67 -5.065 -2.974 9.633 1.00 0.00 C ATOM 1008 O GLY A 67 -6.193 -2.673 10.024 1.00 0.00 O ATOM 0 H GLY A 67 -2.659 -4.037 8.968 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.780 -5.093 9.727 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.542 -4.268 11.255 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.401 -2.268 8.724 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.973 -1.071 8.120 1.00 0.00 C ATOM 1014 C ILE A 68 -6.197 -1.412 7.277 1.00 0.00 C ATOM 1015 O ILE A 68 -6.236 -2.448 6.613 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.944 -0.339 7.239 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.642 -0.119 8.012 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.510 0.988 6.756 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.441 0.108 7.121 1.00 0.00 C ATOM 0 H ILE A 68 -3.467 -2.504 8.390 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.270 -0.415 8.938 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.727 -0.958 6.369 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.762 0.740 8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.455 -0.985 8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.771 1.494 6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.413 0.808 6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.752 1.614 7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.554 0.257 7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.295 -0.760 6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.607 0.992 6.505 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.193 -0.533 7.306 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.418 -0.741 6.543 1.00 0.00 C ATOM 1033 C GLN A 69 -8.587 0.339 5.480 1.00 0.00 C ATOM 1034 O GLN A 69 -7.784 1.268 5.392 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.630 -0.749 7.476 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.771 0.520 8.300 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.827 0.399 9.382 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -10.881 -0.596 10.104 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -11.674 1.415 9.499 1.00 0.00 N ATOM 0 H GLN A 69 -7.176 0.330 7.850 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.346 -1.708 6.045 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.534 -0.890 6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.554 -1.603 8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.812 0.759 8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.025 1.350 7.641 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.593 2.221 8.879 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.406 1.390 10.209 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.635 0.211 4.674 1.00 0.00 N ATOM 1049 CA ASP A 70 -9.910 1.177 3.617 1.00 0.00 C ATOM 1050 C ASP A 70 -10.361 2.511 4.203 1.00 0.00 C ATOM 1051 O ASP A 70 -10.718 2.595 5.378 1.00 0.00 O ATOM 1052 CB ASP A 70 -10.980 0.635 2.668 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.297 0.368 3.371 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.270 0.049 4.578 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.353 0.479 2.714 1.00 0.00 O ATOM 0 H ASP A 70 -10.308 -0.553 4.732 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.988 1.340 3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.141 1.349 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.622 -0.287 2.211 1.00 0.00 H new ATOM 1060 N SER A 71 -10.341 3.552 3.377 1.00 0.00 N ATOM 1061 CA SER A 71 -10.743 4.883 3.815 1.00 0.00 C ATOM 1062 C SER A 71 -10.022 5.272 5.103 1.00 0.00 C ATOM 1063 O SER A 71 -10.552 6.024 5.921 1.00 0.00 O ATOM 1064 CB SER A 71 -12.256 4.938 4.028 1.00 0.00 C ATOM 1065 OG SER A 71 -12.612 4.414 5.296 1.00 0.00 O ATOM 0 H SER A 71 -10.051 3.499 2.401 1.00 0.00 H new ATOM 0 HA SER A 71 -10.467 5.593 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.601 5.969 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.758 4.372 3.243 1.00 0.00 H new ATOM 0 HG SER A 71 -12.277 3.496 5.376 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.811 4.754 5.275 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.016 5.047 6.462 1.00 0.00 C ATOM 1073 C ASP A 72 -7.242 6.351 6.289 1.00 0.00 C ATOM 1074 O ASP A 72 -7.013 6.806 5.168 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.047 3.899 6.749 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.240 3.503 5.528 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.849 3.287 4.460 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -5.000 3.408 5.642 1.00 0.00 O ATOM 0 H ASP A 72 -8.358 4.129 4.608 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.696 5.158 7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.368 4.192 7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.608 3.035 7.106 1.00 0.00 H new ATOM 1083 N THR A 73 -6.842 6.948 7.408 1.00 0.00 N ATOM 1084 CA THR A 73 -6.096 8.200 7.381 1.00 0.00 C ATOM 1085 C THR A 73 -4.640 7.981 7.775 1.00 0.00 C ATOM 1086 O THR A 73 -4.349 7.463 8.854 1.00 0.00 O ATOM 1087 CB THR A 73 -6.719 9.245 8.324 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.093 9.460 7.979 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.961 10.562 8.250 1.00 0.00 C ATOM 0 H THR A 73 -7.022 6.584 8.344 1.00 0.00 H new ATOM 0 HA THR A 73 -6.141 8.572 6.358 1.00 0.00 H new ATOM 0 HB THR A 73 -6.656 8.864 9.343 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.482 10.125 8.585 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.420 11.284 8.925 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.923 10.401 8.542 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.996 10.945 7.230 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.727 8.378 6.895 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.299 8.225 7.151 1.00 0.00 C ATOM 1099 C LEU A 74 -1.608 9.584 7.207 1.00 0.00 C ATOM 1100 O LEU A 74 -1.750 10.401 6.297 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.656 7.358 6.068 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.245 5.957 5.893 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.991 5.444 4.484 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -1.663 5.001 6.924 1.00 0.00 C ATOM 0 H LEU A 74 -3.950 8.808 5.998 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.179 7.736 8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.732 7.884 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.594 7.259 6.293 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.322 6.014 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.417 4.446 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.456 6.116 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.917 5.402 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.093 4.009 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.581 4.948 6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.897 5.360 7.926 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.860 9.817 8.280 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.144 11.075 8.452 1.00 0.00 C ATOM 1118 C ILE A 75 1.222 11.028 7.775 1.00 0.00 C ATOM 1119 O ILE A 75 2.008 10.108 8.002 1.00 0.00 O ATOM 1120 CB ILE A 75 0.046 11.416 9.942 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.245 11.147 10.718 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.475 12.866 10.104 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.450 11.865 10.152 1.00 0.00 C ATOM 0 H ILE A 75 -0.734 9.152 9.043 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.752 11.850 7.985 1.00 0.00 H new ATOM 0 HB ILE A 75 0.831 10.778 10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.440 10.075 10.723 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.106 11.450 11.756 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.605 13.091 11.163 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.417 13.027 9.580 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.289 13.521 9.685 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.329 11.629 10.751 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.275 12.941 10.173 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.615 11.544 9.124 1.00 0.00 H new ATOM 1135 N LEU A 76 1.498 12.027 6.944 1.00 0.00 N ATOM 1136 CA LEU A 76 2.771 12.101 6.234 1.00 0.00 C ATOM 1137 C LEU A 76 3.644 13.218 6.798 1.00 0.00 C ATOM 1138 O LEU A 76 3.230 14.376 6.851 1.00 0.00 O ATOM 1139 CB LEU A 76 2.531 12.330 4.741 1.00 0.00 C ATOM 1140 CG LEU A 76 3.709 12.905 3.952 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.731 11.819 3.653 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.223 13.552 2.664 1.00 0.00 C ATOM 0 H LEU A 76 0.859 12.796 6.745 1.00 0.00 H new ATOM 0 HA LEU A 76 3.292 11.153 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.246 11.380 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.681 13.003 4.629 1.00 0.00 H new ATOM 0 HG LEU A 76 4.190 13.671 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.562 12.246 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.102 11.401 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.262 11.030 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.074 13.956 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.717 12.806 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.529 14.358 2.901 1.00 0.00 H new ATOM 1154 N SER A 77 4.855 12.862 7.215 1.00 0.00 N ATOM 1155 CA SER A 77 5.786 13.833 7.775 1.00 0.00 C ATOM 1156 C SER A 77 7.216 13.531 7.336 1.00 0.00 C ATOM 1157 O SER A 77 7.698 12.407 7.479 1.00 0.00 O ATOM 1158 CB SER A 77 5.699 13.832 9.303 1.00 0.00 C ATOM 1159 OG SER A 77 4.445 14.325 9.742 1.00 0.00 O ATOM 0 H SER A 77 5.214 11.908 7.175 1.00 0.00 H new ATOM 0 HA SER A 77 5.511 14.820 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.847 12.819 9.678 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.500 14.445 9.717 1.00 0.00 H new ATOM 0 HG SER A 77 4.413 14.313 10.721 1.00 0.00 H new ATOM 1165 N LYS A 78 7.890 14.543 6.801 1.00 0.00 N ATOM 1166 CA LYS A 78 9.265 14.390 6.341 1.00 0.00 C ATOM 1167 C LYS A 78 10.225 14.287 7.522 1.00 0.00 C ATOM 1168 O LYS A 78 10.049 14.957 8.539 1.00 0.00 O ATOM 1169 CB LYS A 78 9.661 15.568 5.449 1.00 0.00 C ATOM 1170 CG LYS A 78 9.543 16.918 6.136 1.00 0.00 C ATOM 1171 CD LYS A 78 10.553 17.912 5.588 1.00 0.00 C ATOM 1172 CE LYS A 78 10.214 18.323 4.163 1.00 0.00 C ATOM 1173 NZ LYS A 78 10.936 19.560 3.756 1.00 0.00 N ATOM 0 H LYS A 78 7.506 15.479 6.675 1.00 0.00 H new ATOM 0 HA LYS A 78 9.328 13.468 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.689 15.429 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.032 15.566 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.535 17.310 6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.696 16.796 7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.579 18.795 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.550 17.471 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.469 17.512 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.139 18.485 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.678 19.807 2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.673 20.340 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.962 19.398 3.813 1.00 0.00 H new ATOM 1187 N LYS A 79 11.243 13.444 7.379 1.00 0.00 N ATOM 1188 CA LYS A 79 12.233 13.255 8.432 1.00 0.00 C ATOM 1189 C LYS A 79 13.057 14.522 8.638 1.00 0.00 C ATOM 1190 O LYS A 79 13.487 15.158 7.676 1.00 0.00 O ATOM 1191 CB LYS A 79 13.157 12.084 8.088 1.00 0.00 C ATOM 1192 CG LYS A 79 12.426 10.882 7.515 1.00 0.00 C ATOM 1193 CD LYS A 79 13.136 9.583 7.858 1.00 0.00 C ATOM 1194 CE LYS A 79 12.492 8.394 7.161 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.413 7.227 7.088 1.00 0.00 N ATOM 0 H LYS A 79 11.403 12.881 6.544 1.00 0.00 H new ATOM 0 HA LYS A 79 11.703 13.032 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.905 12.421 7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.693 11.779 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.408 10.855 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.352 10.982 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.184 9.652 7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.114 9.429 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.585 8.108 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.192 8.683 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.936 6.438 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.267 7.492 6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.680 6.935 8.050 1.00 0.00 H new ATOM 1209 N LYS A 80 13.274 14.882 9.898 1.00 0.00 N ATOM 1210 CA LYS A 80 14.049 16.072 10.232 1.00 0.00 C ATOM 1211 C LYS A 80 15.527 15.865 9.914 1.00 0.00 C ATOM 1212 O LYS A 80 16.111 16.605 9.123 1.00 0.00 O ATOM 1213 CB LYS A 80 13.878 16.418 11.713 1.00 0.00 C ATOM 1214 CG LYS A 80 12.464 16.831 12.081 1.00 0.00 C ATOM 1215 CD LYS A 80 12.147 16.503 13.531 1.00 0.00 C ATOM 1216 CE LYS A 80 11.796 15.034 13.706 1.00 0.00 C ATOM 1217 NZ LYS A 80 10.485 14.699 13.085 1.00 0.00 N ATOM 0 H LYS A 80 12.924 14.367 10.706 1.00 0.00 H new ATOM 0 HA LYS A 80 13.678 16.899 9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.164 15.555 12.315 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.562 17.227 11.970 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.341 17.901 11.914 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.754 16.323 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.004 16.750 14.157 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.315 17.120 13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.577 14.418 13.260 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.767 14.792 14.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.129 13.808 13.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.805 15.461 13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.604 14.594 12.057 1.00 0.00 H new ATOM 1231 N GLY A 81 16.125 14.854 10.536 1.00 0.00 N ATOM 1232 CA GLY A 81 17.529 14.568 10.305 1.00 0.00 C ATOM 1233 C GLY A 81 17.741 13.564 9.189 1.00 0.00 C ATOM 1234 O GLY A 81 16.849 12.774 8.879 1.00 0.00 O ATOM 0 H GLY A 81 15.663 14.228 11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.050 15.494 10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.974 14.185 11.223 1.00 0.00 H new ATOM 1238 N SER A 82 18.923 13.595 8.584 1.00 0.00 N ATOM 1239 CA SER A 82 19.247 12.684 7.492 1.00 0.00 C ATOM 1240 C SER A 82 20.375 11.738 7.891 1.00 0.00 C ATOM 1241 O SER A 82 20.924 11.835 8.987 1.00 0.00 O ATOM 1242 CB SER A 82 19.646 13.473 6.243 1.00 0.00 C ATOM 1243 OG SER A 82 20.814 14.241 6.475 1.00 0.00 O ATOM 0 H SER A 82 19.673 14.241 8.831 1.00 0.00 H new ATOM 0 HA SER A 82 18.360 12.091 7.271 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.818 12.786 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 82 18.828 14.130 5.948 1.00 0.00 H new ATOM 0 HG SER A 82 21.048 14.734 5.661 1.00 0.00 H new ATOM 1249 N GLY A 83 20.715 10.820 6.991 1.00 0.00 N ATOM 1250 CA GLY A 83 21.776 9.868 7.266 1.00 0.00 C ATOM 1251 C GLY A 83 22.497 9.423 6.009 1.00 0.00 C ATOM 1252 O GLY A 83 21.969 9.514 4.900 1.00 0.00 O ATOM 0 H GLY A 83 20.275 10.719 6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.493 10.317 7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.356 8.996 7.768 1.00 0.00 H new ATOM 1256 N PRO A 84 23.733 8.931 6.174 1.00 0.00 N ATOM 1257 CA PRO A 84 24.555 8.462 5.054 1.00 0.00 C ATOM 1258 C PRO A 84 24.017 7.173 4.441 1.00 0.00 C ATOM 1259 O PRO A 84 24.239 6.897 3.262 1.00 0.00 O ATOM 1260 CB PRO A 84 25.923 8.219 5.696 1.00 0.00 C ATOM 1261 CG PRO A 84 25.627 7.955 7.132 1.00 0.00 C ATOM 1262 CD PRO A 84 24.424 8.793 7.467 1.00 0.00 C ATOM 0 HA PRO A 84 24.575 9.180 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.432 7.373 5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.575 9.085 5.579 1.00 0.00 H new ATOM 0 HG2 PRO A 84 25.425 6.897 7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 84 26.476 8.222 7.761 1.00 0.00 H new ATOM 0 HD2 PRO A 84 23.791 8.309 8.211 1.00 0.00 H new ATOM 0 HD3 PRO A 84 24.711 9.762 7.875 1.00 0.00 H new ATOM 1270 N SER A 85 23.310 6.389 5.248 1.00 0.00 N ATOM 1271 CA SER A 85 22.744 5.128 4.785 1.00 0.00 C ATOM 1272 C SER A 85 22.152 5.279 3.387 1.00 0.00 C ATOM 1273 O SER A 85 21.325 6.157 3.143 1.00 0.00 O ATOM 1274 CB SER A 85 21.668 4.640 5.757 1.00 0.00 C ATOM 1275 OG SER A 85 20.467 5.374 5.598 1.00 0.00 O ATOM 0 H SER A 85 23.116 6.605 6.226 1.00 0.00 H new ATOM 0 HA SER A 85 23.547 4.392 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.475 3.580 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.026 4.740 6.782 1.00 0.00 H new ATOM 0 HG SER A 85 20.448 5.780 4.706 1.00 0.00 H new ATOM 1281 N SER A 86 22.581 4.415 2.472 1.00 0.00 N ATOM 1282 CA SER A 86 22.097 4.454 1.097 1.00 0.00 C ATOM 1283 C SER A 86 20.784 3.689 0.962 1.00 0.00 C ATOM 1284 O SER A 86 20.358 2.996 1.885 1.00 0.00 O ATOM 1285 CB SER A 86 23.144 3.865 0.149 1.00 0.00 C ATOM 1286 OG SER A 86 24.300 4.683 0.095 1.00 0.00 O ATOM 0 H SER A 86 23.263 3.680 2.658 1.00 0.00 H new ATOM 0 HA SER A 86 21.920 5.496 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 86 23.418 2.864 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.719 3.764 -0.850 1.00 0.00 H new ATOM 0 HG SER A 86 24.955 4.284 -0.516 1.00 0.00 H new ATOM 1292 N GLY A 87 20.147 3.820 -0.198 1.00 0.00 N ATOM 1293 CA GLY A 87 18.889 3.136 -0.434 1.00 0.00 C ATOM 1294 C GLY A 87 18.152 3.679 -1.642 1.00 0.00 C ATOM 1295 O GLY A 87 16.929 3.574 -1.730 1.00 0.00 O ATOM 0 H GLY A 87 20.480 4.387 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.078 2.072 -0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 87 18.256 3.232 0.448 1.00 0.00 H new TER 1299 GLY A 87