USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 486 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 47 SER OG : rot 27:sc= -1.32 USER MOD Set 1.2: A 52 GLN : amide:sc= -0.0111 K(o=-1.3,f=-2.3) 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 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -121:sc= 0.319 USER MOD Single : A 16 ASN : amide:sc= -0.244 K(o=-0.24,f=-3.4!) USER MOD Single : A 17 TYR OH : rot 80:sc= 0.143 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 22 ASN : amide:sc= -0.0752 X(o=-0.075,f=-0.075) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 26 SER OG : rot -3:sc= 1.32 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0175 K(o=-0.017,f=-2.7) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -40:sc= 1.05 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.65 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.863 -0.621 -20.880 1.00 0.00 N ATOM 2 CA GLY A 1 5.834 0.109 -21.597 1.00 0.00 C ATOM 3 C GLY A 1 4.780 -0.806 -22.189 1.00 0.00 C ATOM 4 O GLY A 1 4.596 -0.847 -23.406 1.00 0.00 O ATOM 0 H1 GLY A 1 7.559 0.049 -20.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.430 -1.157 -20.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.339 -1.279 -21.530 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.357 0.818 -20.920 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.295 0.691 -22.395 1.00 0.00 H new ATOM 8 N SER A 2 4.086 -1.542 -21.328 1.00 0.00 N ATOM 9 CA SER A 2 3.049 -2.465 -21.773 1.00 0.00 C ATOM 10 C SER A 2 3.626 -3.520 -22.712 1.00 0.00 C ATOM 11 O SER A 2 3.072 -3.788 -23.778 1.00 0.00 O ATOM 12 CB SER A 2 1.924 -1.701 -22.475 1.00 0.00 C ATOM 13 OG SER A 2 0.694 -2.399 -22.375 1.00 0.00 O ATOM 0 H SER A 2 4.223 -1.517 -20.318 1.00 0.00 H new ATOM 0 HA SER A 2 2.644 -2.968 -20.895 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.821 -0.711 -22.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.179 -1.555 -23.525 1.00 0.00 H new ATOM 0 HG SER A 2 -0.009 -1.890 -22.830 1.00 0.00 H new ATOM 19 N SER A 3 4.743 -4.115 -22.308 1.00 0.00 N ATOM 20 CA SER A 3 5.399 -5.138 -23.114 1.00 0.00 C ATOM 21 C SER A 3 5.337 -6.497 -22.423 1.00 0.00 C ATOM 22 O SER A 3 5.244 -7.535 -23.077 1.00 0.00 O ATOM 23 CB SER A 3 6.856 -4.753 -23.377 1.00 0.00 C ATOM 24 OG SER A 3 7.413 -5.542 -24.414 1.00 0.00 O ATOM 0 H SER A 3 5.213 -3.906 -21.427 1.00 0.00 H new ATOM 0 HA SER A 3 4.872 -5.209 -24.065 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.914 -3.699 -23.647 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.439 -4.881 -22.465 1.00 0.00 H new ATOM 0 HG SER A 3 8.344 -5.275 -24.564 1.00 0.00 H new ATOM 30 N GLY A 4 5.390 -6.482 -21.095 1.00 0.00 N ATOM 31 CA GLY A 4 5.339 -7.717 -20.336 1.00 0.00 C ATOM 32 C GLY A 4 4.310 -7.673 -19.224 1.00 0.00 C ATOM 33 O GLY A 4 3.715 -6.628 -18.961 1.00 0.00 O ATOM 0 H GLY A 4 5.467 -5.636 -20.531 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.108 -8.543 -21.008 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.322 -7.918 -19.910 1.00 0.00 H new ATOM 37 N SER A 5 4.097 -8.810 -18.570 1.00 0.00 N ATOM 38 CA SER A 5 3.129 -8.898 -17.483 1.00 0.00 C ATOM 39 C SER A 5 3.190 -10.266 -16.810 1.00 0.00 C ATOM 40 O SER A 5 3.460 -11.278 -17.458 1.00 0.00 O ATOM 41 CB SER A 5 1.716 -8.639 -18.009 1.00 0.00 C ATOM 42 OG SER A 5 1.329 -9.631 -18.944 1.00 0.00 O ATOM 0 H SER A 5 4.582 -9.684 -18.774 1.00 0.00 H new ATOM 0 HA SER A 5 3.380 -8.137 -16.744 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.012 -8.625 -17.177 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.674 -7.656 -18.479 1.00 0.00 H new ATOM 0 HG SER A 5 0.422 -9.443 -19.263 1.00 0.00 H new ATOM 48 N SER A 6 2.937 -10.289 -15.506 1.00 0.00 N ATOM 49 CA SER A 6 2.967 -11.531 -14.743 1.00 0.00 C ATOM 50 C SER A 6 1.568 -11.909 -14.265 1.00 0.00 C ATOM 51 O SER A 6 0.603 -11.183 -14.498 1.00 0.00 O ATOM 52 CB SER A 6 3.908 -11.396 -13.545 1.00 0.00 C ATOM 53 OG SER A 6 3.628 -10.220 -12.806 1.00 0.00 O ATOM 0 H SER A 6 2.709 -9.461 -14.955 1.00 0.00 H new ATOM 0 HA SER A 6 3.335 -12.321 -15.397 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.806 -12.268 -12.899 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.941 -11.374 -13.891 1.00 0.00 H new ATOM 0 HG SER A 6 4.242 -10.158 -12.045 1.00 0.00 H new ATOM 59 N GLY A 7 1.467 -13.052 -13.594 1.00 0.00 N ATOM 60 CA GLY A 7 0.184 -13.508 -13.093 1.00 0.00 C ATOM 61 C GLY A 7 -0.151 -12.922 -11.735 1.00 0.00 C ATOM 62 O GLY A 7 -0.195 -13.639 -10.735 1.00 0.00 O ATOM 0 H GLY A 7 2.251 -13.671 -13.388 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.597 -13.238 -13.804 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.190 -14.596 -13.024 1.00 0.00 H new ATOM 66 N LEU A 8 -0.384 -11.615 -11.699 1.00 0.00 N ATOM 67 CA LEU A 8 -0.715 -10.931 -10.453 1.00 0.00 C ATOM 68 C LEU A 8 -2.093 -10.284 -10.536 1.00 0.00 C ATOM 69 O LEU A 8 -2.563 -9.940 -11.620 1.00 0.00 O ATOM 70 CB LEU A 8 0.341 -9.871 -10.134 1.00 0.00 C ATOM 71 CG LEU A 8 1.707 -10.396 -9.691 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.667 -9.243 -9.440 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.569 -11.258 -8.445 1.00 0.00 C ATOM 0 H LEU A 8 -0.350 -11.007 -12.518 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.730 -11.672 -9.654 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.482 -9.250 -11.019 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.049 -9.223 -9.349 1.00 0.00 H new ATOM 0 HG LEU A 8 2.114 -11.013 -10.492 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.634 -9.636 -9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.791 -8.666 -10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.265 -8.599 -8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.551 -11.623 -8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.140 -10.665 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.917 -12.105 -8.659 1.00 0.00 H new ATOM 85 N GLU A 9 -2.734 -10.118 -9.383 1.00 0.00 N ATOM 86 CA GLU A 9 -4.058 -9.510 -9.326 1.00 0.00 C ATOM 87 C GLU A 9 -3.956 -7.989 -9.262 1.00 0.00 C ATOM 88 O GLU A 9 -3.494 -7.430 -8.267 1.00 0.00 O ATOM 89 CB GLU A 9 -4.832 -10.032 -8.114 1.00 0.00 C ATOM 90 CG GLU A 9 -4.763 -11.542 -7.952 1.00 0.00 C ATOM 91 CD GLU A 9 -5.761 -12.065 -6.937 1.00 0.00 C ATOM 92 OE1 GLU A 9 -6.860 -11.481 -6.830 1.00 0.00 O ATOM 93 OE2 GLU A 9 -5.444 -13.059 -6.251 1.00 0.00 O ATOM 0 H GLU A 9 -2.358 -10.396 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.594 -9.783 -10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.441 -9.560 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.876 -9.732 -8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.948 -12.016 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.756 -11.825 -7.646 1.00 0.00 H new ATOM 100 N GLN A 10 -4.390 -7.327 -10.329 1.00 0.00 N ATOM 101 CA GLN A 10 -4.346 -5.871 -10.394 1.00 0.00 C ATOM 102 C GLN A 10 -5.521 -5.257 -9.640 1.00 0.00 C ATOM 103 O GLN A 10 -6.679 -5.453 -10.009 1.00 0.00 O ATOM 104 CB GLN A 10 -4.359 -5.404 -11.851 1.00 0.00 C ATOM 105 CG GLN A 10 -3.176 -5.906 -12.661 1.00 0.00 C ATOM 106 CD GLN A 10 -3.471 -5.972 -14.147 1.00 0.00 C ATOM 107 OE1 GLN A 10 -3.558 -7.054 -14.728 1.00 0.00 O ATOM 108 NE2 GLN A 10 -3.628 -4.810 -14.771 1.00 0.00 N ATOM 0 H GLN A 10 -4.776 -7.775 -11.160 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.422 -5.539 -9.922 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.282 -5.741 -12.324 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.369 -4.314 -11.874 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.321 -5.251 -12.493 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.892 -6.897 -12.307 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.547 -3.937 -14.250 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.829 -4.791 -15.771 1.00 0.00 H new ATOM 117 N TYR A 11 -5.215 -4.513 -8.583 1.00 0.00 N ATOM 118 CA TYR A 11 -6.246 -3.873 -7.775 1.00 0.00 C ATOM 119 C TYR A 11 -6.247 -2.362 -7.991 1.00 0.00 C ATOM 120 O TYR A 11 -5.204 -1.759 -8.243 1.00 0.00 O ATOM 121 CB TYR A 11 -6.032 -4.187 -6.294 1.00 0.00 C ATOM 122 CG TYR A 11 -6.687 -5.475 -5.847 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.308 -6.695 -6.392 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.686 -5.471 -4.881 1.00 0.00 C ATOM 125 CE1 TYR A 11 -6.904 -7.874 -5.988 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.286 -6.645 -4.470 1.00 0.00 C ATOM 127 CZ TYR A 11 -7.892 -7.844 -5.026 1.00 0.00 C ATOM 128 OH TYR A 11 -8.489 -9.015 -4.620 1.00 0.00 O ATOM 0 H TYR A 11 -4.261 -4.338 -8.266 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.213 -4.268 -8.087 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.962 -4.245 -6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.423 -3.364 -5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.534 -6.722 -7.145 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.998 -4.534 -4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.598 -8.814 -6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.060 -6.624 -3.717 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.163 -8.819 -3.936 1.00 0.00 H new ATOM 138 N VAL A 12 -7.426 -1.757 -7.889 1.00 0.00 N ATOM 139 CA VAL A 12 -7.565 -0.317 -8.071 1.00 0.00 C ATOM 140 C VAL A 12 -7.682 0.397 -6.729 1.00 0.00 C ATOM 141 O VAL A 12 -8.356 -0.081 -5.816 1.00 0.00 O ATOM 142 CB VAL A 12 -8.796 0.024 -8.931 1.00 0.00 C ATOM 143 CG1 VAL A 12 -8.885 1.524 -9.164 1.00 0.00 C ATOM 144 CG2 VAL A 12 -8.746 -0.727 -10.253 1.00 0.00 C ATOM 0 H VAL A 12 -8.299 -2.242 -7.681 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.667 0.026 -8.585 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.691 -0.290 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.761 1.746 -9.774 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.970 2.037 -8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.988 1.866 -9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.623 -0.474 -10.848 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.845 -0.445 -10.798 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.734 -1.800 -10.062 1.00 0.00 H new ATOM 154 N VAL A 13 -7.023 1.546 -6.617 1.00 0.00 N ATOM 155 CA VAL A 13 -7.054 2.328 -5.387 1.00 0.00 C ATOM 156 C VAL A 13 -8.414 2.990 -5.191 1.00 0.00 C ATOM 157 O VAL A 13 -9.085 3.351 -6.158 1.00 0.00 O ATOM 158 CB VAL A 13 -5.962 3.414 -5.384 1.00 0.00 C ATOM 159 CG1 VAL A 13 -5.903 4.109 -4.033 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.612 2.812 -5.743 1.00 0.00 C ATOM 0 H VAL A 13 -6.461 1.956 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.868 1.635 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.214 4.160 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.126 4.873 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.865 4.575 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.676 3.378 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.852 3.593 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.350 2.045 -5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.665 2.366 -6.736 1.00 0.00 H new ATOM 170 N VAL A 14 -8.814 3.147 -3.933 1.00 0.00 N ATOM 171 CA VAL A 14 -10.093 3.767 -3.610 1.00 0.00 C ATOM 172 C VAL A 14 -9.893 5.111 -2.918 1.00 0.00 C ATOM 173 O VAL A 14 -10.758 5.985 -2.975 1.00 0.00 O ATOM 174 CB VAL A 14 -10.944 2.858 -2.704 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.509 1.690 -3.498 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.122 2.363 -1.523 1.00 0.00 C ATOM 0 H VAL A 14 -8.271 2.853 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.617 3.921 -4.553 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.780 3.441 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.107 1.059 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.135 2.068 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.690 1.105 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.739 1.722 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.265 1.797 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.772 3.215 -0.941 1.00 0.00 H new ATOM 186 N SER A 15 -8.745 5.270 -2.266 1.00 0.00 N ATOM 187 CA SER A 15 -8.432 6.507 -1.560 1.00 0.00 C ATOM 188 C SER A 15 -6.954 6.855 -1.704 1.00 0.00 C ATOM 189 O SER A 15 -6.102 5.971 -1.786 1.00 0.00 O ATOM 190 CB SER A 15 -8.797 6.381 -0.080 1.00 0.00 C ATOM 191 OG SER A 15 -8.260 7.455 0.671 1.00 0.00 O ATOM 0 H SER A 15 -8.017 4.558 -2.212 1.00 0.00 H new ATOM 0 HA SER A 15 -9.021 7.309 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.881 6.363 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.421 5.436 0.311 1.00 0.00 H new ATOM 0 HG SER A 15 -7.665 7.103 1.365 1.00 0.00 H new ATOM 197 N ASN A 16 -6.657 8.150 -1.732 1.00 0.00 N ATOM 198 CA ASN A 16 -5.282 8.616 -1.866 1.00 0.00 C ATOM 199 C ASN A 16 -4.479 8.311 -0.605 1.00 0.00 C ATOM 200 O ASN A 16 -4.861 8.705 0.497 1.00 0.00 O ATOM 201 CB ASN A 16 -5.256 10.119 -2.150 1.00 0.00 C ATOM 202 CG ASN A 16 -5.776 10.937 -0.983 1.00 0.00 C ATOM 203 OD1 ASN A 16 -6.878 10.702 -0.488 1.00 0.00 O ATOM 204 ND2 ASN A 16 -4.981 11.903 -0.537 1.00 0.00 N ATOM 0 H ASN A 16 -7.350 8.895 -1.664 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.825 8.087 -2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.235 10.425 -2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.857 10.329 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.276 12.485 0.247 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.075 12.062 -0.978 1.00 0.00 H new ATOM 211 N TYR A 17 -3.365 7.608 -0.775 1.00 0.00 N ATOM 212 CA TYR A 17 -2.508 7.249 0.349 1.00 0.00 C ATOM 213 C TYR A 17 -1.362 8.244 0.500 1.00 0.00 C ATOM 214 O TYR A 17 -0.988 8.929 -0.452 1.00 0.00 O ATOM 215 CB TYR A 17 -1.951 5.837 0.162 1.00 0.00 C ATOM 216 CG TYR A 17 -1.523 5.178 1.454 1.00 0.00 C ATOM 217 CD1 TYR A 17 -2.432 4.468 2.228 1.00 0.00 C ATOM 218 CD2 TYR A 17 -0.211 5.267 1.900 1.00 0.00 C ATOM 219 CE1 TYR A 17 -2.046 3.866 3.410 1.00 0.00 C ATOM 220 CE2 TYR A 17 0.185 4.666 3.080 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.737 3.967 3.831 1.00 0.00 C ATOM 222 OH TYR A 17 -0.347 3.369 5.007 1.00 0.00 O ATOM 0 H TYR A 17 -3.034 7.275 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.111 7.277 1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.708 5.218 -0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.097 5.879 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.458 4.385 1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.512 5.815 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.766 3.319 4.001 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.210 4.743 3.412 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.195 2.413 4.853 1.00 0.00 H new ATOM 232 N LYS A 18 -0.807 8.318 1.705 1.00 0.00 N ATOM 233 CA LYS A 18 0.298 9.227 1.985 1.00 0.00 C ATOM 234 C LYS A 18 1.518 8.462 2.488 1.00 0.00 C ATOM 235 O LYS A 18 1.394 7.526 3.278 1.00 0.00 O ATOM 236 CB LYS A 18 -0.123 10.273 3.019 1.00 0.00 C ATOM 237 CG LYS A 18 -0.600 9.674 4.331 1.00 0.00 C ATOM 238 CD LYS A 18 0.513 9.635 5.364 1.00 0.00 C ATOM 239 CE LYS A 18 -0.026 9.841 6.771 1.00 0.00 C ATOM 240 NZ LYS A 18 0.947 9.398 7.808 1.00 0.00 N ATOM 0 H LYS A 18 -1.105 7.759 2.504 1.00 0.00 H new ATOM 0 HA LYS A 18 0.564 9.731 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.720 10.936 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.920 10.887 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.435 10.259 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.972 8.664 4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.030 8.677 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.248 10.407 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.260 10.895 6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.958 9.288 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.542 9.555 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.151 8.386 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.827 9.943 7.713 1.00 0.00 H new ATOM 254 N LYS A 19 2.696 8.866 2.027 1.00 0.00 N ATOM 255 CA LYS A 19 3.940 8.221 2.432 1.00 0.00 C ATOM 256 C LYS A 19 4.596 8.979 3.582 1.00 0.00 C ATOM 257 O LYS A 19 4.710 10.203 3.544 1.00 0.00 O ATOM 258 CB LYS A 19 4.904 8.137 1.246 1.00 0.00 C ATOM 259 CG LYS A 19 5.293 9.492 0.681 1.00 0.00 C ATOM 260 CD LYS A 19 6.135 9.350 -0.576 1.00 0.00 C ATOM 261 CE LYS A 19 6.956 10.603 -0.840 1.00 0.00 C ATOM 262 NZ LYS A 19 7.271 10.765 -2.287 1.00 0.00 N ATOM 0 H LYS A 19 2.816 9.638 1.372 1.00 0.00 H new ATOM 0 HA LYS A 19 3.704 7.213 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.806 7.611 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.445 7.542 0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.394 10.065 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.849 10.054 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.800 8.492 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.487 9.152 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.408 11.477 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.884 10.556 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.831 11.630 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.816 9.943 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.386 10.835 -2.829 1.00 0.00 H new ATOM 276 N GLN A 20 5.026 8.241 4.600 1.00 0.00 N ATOM 277 CA GLN A 20 5.672 8.845 5.760 1.00 0.00 C ATOM 278 C GLN A 20 7.188 8.866 5.590 1.00 0.00 C ATOM 279 O GLN A 20 7.789 9.928 5.431 1.00 0.00 O ATOM 280 CB GLN A 20 5.301 8.080 7.032 1.00 0.00 C ATOM 281 CG GLN A 20 5.991 8.605 8.281 1.00 0.00 C ATOM 282 CD GLN A 20 5.432 8.001 9.554 1.00 0.00 C ATOM 283 OE1 GLN A 20 4.580 7.113 9.512 1.00 0.00 O ATOM 284 NE2 GLN A 20 5.910 8.481 10.696 1.00 0.00 N ATOM 0 H GLN A 20 4.939 7.226 4.646 1.00 0.00 H new ATOM 0 HA GLN A 20 5.320 9.873 5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.222 8.131 7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.556 7.028 6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.058 8.390 8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.886 9.689 8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.616 9.217 10.684 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.571 8.113 11.585 1.00 0.00 H new ATOM 293 N GLU A 21 7.799 7.686 5.624 1.00 0.00 N ATOM 294 CA GLU A 21 9.245 7.570 5.475 1.00 0.00 C ATOM 295 C GLU A 21 9.601 6.529 4.418 1.00 0.00 C ATOM 296 O GLU A 21 10.133 6.860 3.359 1.00 0.00 O ATOM 297 CB GLU A 21 9.890 7.198 6.811 1.00 0.00 C ATOM 298 CG GLU A 21 11.371 7.530 6.886 1.00 0.00 C ATOM 299 CD GLU A 21 11.629 9.017 7.033 1.00 0.00 C ATOM 300 OE1 GLU A 21 11.583 9.516 8.177 1.00 0.00 O ATOM 301 OE2 GLU A 21 11.875 9.682 6.005 1.00 0.00 O ATOM 0 H GLU A 21 7.315 6.797 5.753 1.00 0.00 H new ATOM 0 HA GLU A 21 9.630 8.537 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.369 7.719 7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.757 6.130 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.815 7.003 7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.867 7.166 5.986 1.00 0.00 H new ATOM 308 N ASN A 22 9.303 5.268 4.714 1.00 0.00 N ATOM 309 CA ASN A 22 9.593 4.177 3.791 1.00 0.00 C ATOM 310 C ASN A 22 8.521 3.095 3.873 1.00 0.00 C ATOM 311 O ASN A 22 7.625 3.157 4.716 1.00 0.00 O ATOM 312 CB ASN A 22 10.966 3.574 4.095 1.00 0.00 C ATOM 313 CG ASN A 22 12.104 4.482 3.670 1.00 0.00 C ATOM 314 OD1 ASN A 22 12.253 4.797 2.490 1.00 0.00 O ATOM 315 ND2 ASN A 22 12.912 4.908 4.634 1.00 0.00 N ATOM 0 H ASN A 22 8.861 4.977 5.586 1.00 0.00 H new ATOM 0 HA ASN A 22 9.598 4.583 2.779 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.044 3.375 5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.060 2.615 3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.695 5.522 4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.750 4.621 5.599 1.00 0.00 H new ATOM 322 N SER A 23 8.618 2.104 2.993 1.00 0.00 N ATOM 323 CA SER A 23 7.655 1.010 2.963 1.00 0.00 C ATOM 324 C SER A 23 6.234 1.541 2.801 1.00 0.00 C ATOM 325 O SER A 23 5.278 0.945 3.296 1.00 0.00 O ATOM 326 CB SER A 23 7.758 0.178 4.243 1.00 0.00 C ATOM 327 OG SER A 23 9.069 0.225 4.779 1.00 0.00 O ATOM 0 H SER A 23 9.355 2.036 2.291 1.00 0.00 H new ATOM 0 HA SER A 23 7.887 0.377 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.047 0.550 4.980 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.485 -0.856 4.031 1.00 0.00 H new ATOM 0 HG SER A 23 9.107 -0.313 5.597 1.00 0.00 H new ATOM 333 N GLU A 24 6.105 2.667 2.106 1.00 0.00 N ATOM 334 CA GLU A 24 4.802 3.279 1.879 1.00 0.00 C ATOM 335 C GLU A 24 4.750 3.960 0.514 1.00 0.00 C ATOM 336 O GLU A 24 5.723 4.577 0.078 1.00 0.00 O ATOM 337 CB GLU A 24 4.492 4.295 2.980 1.00 0.00 C ATOM 338 CG GLU A 24 4.016 3.662 4.277 1.00 0.00 C ATOM 339 CD GLU A 24 3.571 4.690 5.299 1.00 0.00 C ATOM 340 OE1 GLU A 24 4.281 5.702 5.471 1.00 0.00 O ATOM 341 OE2 GLU A 24 2.511 4.481 5.927 1.00 0.00 O ATOM 0 H GLU A 24 6.887 3.173 1.691 1.00 0.00 H new ATOM 0 HA GLU A 24 4.050 2.490 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.386 4.885 3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.729 4.985 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.189 2.985 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.820 3.060 4.700 1.00 0.00 H new ATOM 348 N LEU A 25 3.609 3.844 -0.155 1.00 0.00 N ATOM 349 CA LEU A 25 3.429 4.448 -1.471 1.00 0.00 C ATOM 350 C LEU A 25 2.257 5.424 -1.467 1.00 0.00 C ATOM 351 O LEU A 25 1.133 5.059 -1.123 1.00 0.00 O ATOM 352 CB LEU A 25 3.200 3.362 -2.525 1.00 0.00 C ATOM 353 CG LEU A 25 4.457 2.730 -3.122 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.089 1.590 -4.058 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.285 3.777 -3.854 1.00 0.00 C ATOM 0 H LEU A 25 2.794 3.337 0.192 1.00 0.00 H new ATOM 0 HA LEU A 25 4.336 5.000 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.597 2.571 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.612 3.790 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 25 5.058 2.325 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.997 1.153 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.539 0.828 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.466 1.971 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.176 3.309 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.692 4.213 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.581 4.560 -3.156 1.00 0.00 H new ATOM 367 N SER A 26 2.528 6.667 -1.854 1.00 0.00 N ATOM 368 CA SER A 26 1.496 7.697 -1.893 1.00 0.00 C ATOM 369 C SER A 26 0.611 7.532 -3.125 1.00 0.00 C ATOM 370 O SER A 26 0.634 8.362 -4.035 1.00 0.00 O ATOM 371 CB SER A 26 2.134 9.087 -1.891 1.00 0.00 C ATOM 372 OG SER A 26 1.210 10.071 -1.460 1.00 0.00 O ATOM 0 H SER A 26 3.453 6.985 -2.145 1.00 0.00 H new ATOM 0 HA SER A 26 0.875 7.589 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.005 9.090 -1.236 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.488 9.330 -2.893 1.00 0.00 H new ATOM 0 HG SER A 26 0.336 9.654 -1.307 1.00 0.00 H new ATOM 378 N LEU A 27 -0.167 6.456 -3.147 1.00 0.00 N ATOM 379 CA LEU A 27 -1.061 6.181 -4.266 1.00 0.00 C ATOM 380 C LEU A 27 -2.113 7.277 -4.406 1.00 0.00 C ATOM 381 O LEU A 27 -2.155 8.214 -3.609 1.00 0.00 O ATOM 382 CB LEU A 27 -1.744 4.825 -4.079 1.00 0.00 C ATOM 383 CG LEU A 27 -0.839 3.674 -3.639 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.646 2.396 -3.469 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.286 3.466 -4.642 1.00 0.00 C ATOM 0 H LEU A 27 -0.197 5.759 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.463 6.158 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.538 4.939 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.220 4.548 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.398 3.932 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.985 1.588 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.416 2.550 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.116 2.134 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.920 2.643 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.136 3.230 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.882 4.376 -4.715 1.00 0.00 H new ATOM 397 N GLN A 28 -2.960 7.152 -5.422 1.00 0.00 N ATOM 398 CA GLN A 28 -4.012 8.131 -5.665 1.00 0.00 C ATOM 399 C GLN A 28 -5.295 7.449 -6.129 1.00 0.00 C ATOM 400 O GLN A 28 -5.253 6.405 -6.778 1.00 0.00 O ATOM 401 CB GLN A 28 -3.557 9.153 -6.708 1.00 0.00 C ATOM 402 CG GLN A 28 -2.623 10.216 -6.152 1.00 0.00 C ATOM 403 CD GLN A 28 -2.548 11.446 -7.034 1.00 0.00 C ATOM 404 OE1 GLN A 28 -3.399 12.333 -6.957 1.00 0.00 O ATOM 405 NE2 GLN A 28 -1.526 11.507 -7.880 1.00 0.00 N ATOM 0 H GLN A 28 -2.938 6.382 -6.090 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.216 8.647 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.055 8.630 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.434 9.639 -7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.961 10.507 -5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.625 9.794 -6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.844 10.750 -7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.424 12.311 -8.499 1.00 0.00 H new ATOM 414 N ALA A 29 -6.433 8.047 -5.793 1.00 0.00 N ATOM 415 CA ALA A 29 -7.727 7.498 -6.177 1.00 0.00 C ATOM 416 C ALA A 29 -7.788 7.235 -7.678 1.00 0.00 C ATOM 417 O ALA A 29 -7.447 8.100 -8.484 1.00 0.00 O ATOM 418 CB ALA A 29 -8.846 8.441 -5.759 1.00 0.00 C ATOM 0 H ALA A 29 -6.485 8.912 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.857 6.546 -5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.807 8.018 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.824 8.575 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.710 9.406 -6.247 1.00 0.00 H new ATOM 424 N GLY A 30 -8.224 6.035 -8.047 1.00 0.00 N ATOM 425 CA GLY A 30 -8.320 5.679 -9.451 1.00 0.00 C ATOM 426 C GLY A 30 -7.075 4.979 -9.958 1.00 0.00 C ATOM 427 O GLY A 30 -7.115 4.291 -10.977 1.00 0.00 O ATOM 0 H GLY A 30 -8.513 5.302 -7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.184 5.031 -9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.492 6.580 -10.040 1.00 0.00 H new ATOM 431 N GLU A 31 -5.967 5.157 -9.247 1.00 0.00 N ATOM 432 CA GLU A 31 -4.704 4.538 -9.634 1.00 0.00 C ATOM 433 C GLU A 31 -4.813 3.017 -9.608 1.00 0.00 C ATOM 434 O GLU A 31 -5.639 2.454 -8.889 1.00 0.00 O ATOM 435 CB GLU A 31 -3.580 4.996 -8.702 1.00 0.00 C ATOM 436 CG GLU A 31 -2.190 4.798 -9.283 1.00 0.00 C ATOM 437 CD GLU A 31 -2.037 5.424 -10.656 1.00 0.00 C ATOM 438 OE1 GLU A 31 -1.689 6.621 -10.726 1.00 0.00 O ATOM 439 OE2 GLU A 31 -2.266 4.717 -11.660 1.00 0.00 O ATOM 0 H GLU A 31 -5.917 5.724 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.472 4.851 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.720 6.051 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.653 4.449 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.453 5.230 -8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.976 3.731 -9.348 1.00 0.00 H new ATOM 446 N VAL A 32 -3.974 2.355 -10.399 1.00 0.00 N ATOM 447 CA VAL A 32 -3.975 0.899 -10.468 1.00 0.00 C ATOM 448 C VAL A 32 -2.657 0.324 -9.961 1.00 0.00 C ATOM 449 O VAL A 32 -1.581 0.801 -10.320 1.00 0.00 O ATOM 450 CB VAL A 32 -4.219 0.405 -11.906 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.280 -1.114 -11.946 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.494 1.013 -12.469 1.00 0.00 C ATOM 0 H VAL A 32 -3.285 2.805 -11.001 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.788 0.553 -9.830 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.384 0.727 -12.529 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.453 -1.444 -12.970 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.337 -1.526 -11.586 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.094 -1.462 -11.310 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.651 0.653 -13.486 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.341 0.723 -11.847 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.406 2.099 -12.478 1.00 0.00 H new ATOM 462 N VAL A 33 -2.750 -0.705 -9.124 1.00 0.00 N ATOM 463 CA VAL A 33 -1.564 -1.347 -8.569 1.00 0.00 C ATOM 464 C VAL A 33 -1.621 -2.859 -8.753 1.00 0.00 C ATOM 465 O VAL A 33 -2.649 -3.408 -9.150 1.00 0.00 O ATOM 466 CB VAL A 33 -1.404 -1.029 -7.070 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.309 0.473 -6.850 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.558 -1.621 -6.274 1.00 0.00 C ATOM 0 H VAL A 33 -3.633 -1.111 -8.816 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.706 -0.950 -9.111 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.478 -1.483 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.196 0.678 -5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.447 0.866 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.216 0.953 -7.218 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.429 -1.387 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.498 -1.198 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.574 -2.703 -6.407 1.00 0.00 H new ATOM 478 N ASP A 34 -0.511 -3.527 -8.461 1.00 0.00 N ATOM 479 CA ASP A 34 -0.434 -4.977 -8.593 1.00 0.00 C ATOM 480 C ASP A 34 -0.096 -5.628 -7.255 1.00 0.00 C ATOM 481 O ASP A 34 1.020 -5.497 -6.753 1.00 0.00 O ATOM 482 CB ASP A 34 0.614 -5.361 -9.640 1.00 0.00 C ATOM 483 CG ASP A 34 0.088 -5.243 -11.056 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.143 -4.103 -11.511 1.00 0.00 O ATOM 485 OD2 ASP A 34 -0.093 -6.291 -11.711 1.00 0.00 O ATOM 0 H ASP A 34 0.348 -3.087 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.410 -5.339 -8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.489 -4.721 -9.526 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.943 -6.385 -9.462 1.00 0.00 H new ATOM 490 N VAL A 35 -1.069 -6.328 -6.682 1.00 0.00 N ATOM 491 CA VAL A 35 -0.876 -6.999 -5.402 1.00 0.00 C ATOM 492 C VAL A 35 0.042 -8.208 -5.548 1.00 0.00 C ATOM 493 O VAL A 35 -0.266 -9.148 -6.281 1.00 0.00 O ATOM 494 CB VAL A 35 -2.217 -7.457 -4.799 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.014 -7.999 -3.393 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.219 -6.312 -4.799 1.00 0.00 C ATOM 0 H VAL A 35 -1.999 -6.445 -7.084 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.414 -6.274 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.618 -8.261 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.973 -8.317 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.333 -8.849 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.590 -7.219 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.161 -6.653 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.828 -5.486 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.387 -5.976 -5.822 1.00 0.00 H new ATOM 506 N ILE A 36 1.169 -8.176 -4.846 1.00 0.00 N ATOM 507 CA ILE A 36 2.131 -9.270 -4.896 1.00 0.00 C ATOM 508 C ILE A 36 1.961 -10.207 -3.706 1.00 0.00 C ATOM 509 O ILE A 36 1.718 -11.402 -3.874 1.00 0.00 O ATOM 510 CB ILE A 36 3.579 -8.746 -4.920 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.775 -7.776 -6.086 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.561 -9.904 -5.017 1.00 0.00 C ATOM 513 CD1 ILE A 36 5.124 -7.091 -6.083 1.00 0.00 C ATOM 0 H ILE A 36 1.439 -7.404 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 36 1.937 -9.819 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 36 3.770 -8.210 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.654 -8.319 -7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.992 -7.018 -6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.580 -9.517 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.436 -10.560 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.372 -10.466 -5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.192 -6.418 -6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.240 -6.520 -5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.913 -7.841 -6.147 1.00 0.00 H new ATOM 525 N GLU A 37 2.089 -9.656 -2.503 1.00 0.00 N ATOM 526 CA GLU A 37 1.948 -10.444 -1.283 1.00 0.00 C ATOM 527 C GLU A 37 0.812 -9.907 -0.417 1.00 0.00 C ATOM 528 O GLU A 37 0.358 -8.777 -0.599 1.00 0.00 O ATOM 529 CB GLU A 37 3.257 -10.435 -0.490 1.00 0.00 C ATOM 530 CG GLU A 37 4.202 -11.564 -0.865 1.00 0.00 C ATOM 531 CD GLU A 37 5.656 -11.214 -0.614 1.00 0.00 C ATOM 532 OE1 GLU A 37 6.036 -11.063 0.566 1.00 0.00 O ATOM 533 OE2 GLU A 37 6.415 -11.091 -1.599 1.00 0.00 O ATOM 0 H GLU A 37 2.290 -8.668 -2.347 1.00 0.00 H new ATOM 0 HA GLU A 37 1.711 -11.469 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.762 -9.482 -0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.028 -10.502 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.943 -12.455 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.068 -11.811 -1.918 1.00 0.00 H new ATOM 540 N LYS A 38 0.357 -10.725 0.525 1.00 0.00 N ATOM 541 CA LYS A 38 -0.725 -10.335 1.421 1.00 0.00 C ATOM 542 C LYS A 38 -0.434 -10.779 2.851 1.00 0.00 C ATOM 543 O LYS A 38 -0.129 -11.945 3.099 1.00 0.00 O ATOM 544 CB LYS A 38 -2.049 -10.938 0.948 1.00 0.00 C ATOM 545 CG LYS A 38 -2.386 -10.609 -0.496 1.00 0.00 C ATOM 546 CD LYS A 38 -3.461 -11.533 -1.043 1.00 0.00 C ATOM 547 CE LYS A 38 -3.704 -11.291 -2.525 1.00 0.00 C ATOM 548 NZ LYS A 38 -4.584 -12.334 -3.121 1.00 0.00 N ATOM 0 H LYS A 38 0.721 -11.664 0.688 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.802 -9.248 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.008 -12.021 1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.853 -10.578 1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.724 -9.575 -0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.488 -10.692 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.165 -12.570 -0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.389 -11.380 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.159 -10.310 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.750 -11.277 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.725 -12.133 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.139 -13.267 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.504 -12.331 -2.636 1.00 0.00 H new ATOM 562 N ASN A 39 -0.533 -9.842 3.789 1.00 0.00 N ATOM 563 CA ASN A 39 -0.281 -10.138 5.194 1.00 0.00 C ATOM 564 C ASN A 39 -1.591 -10.331 5.953 1.00 0.00 C ATOM 565 O ASN A 39 -2.512 -9.523 5.835 1.00 0.00 O ATOM 566 CB ASN A 39 0.532 -9.013 5.836 1.00 0.00 C ATOM 567 CG ASN A 39 1.188 -9.441 7.135 1.00 0.00 C ATOM 568 OD1 ASN A 39 1.095 -10.601 7.537 1.00 0.00 O ATOM 569 ND2 ASN A 39 1.856 -8.504 7.797 1.00 0.00 N ATOM 0 H ASN A 39 -0.786 -8.872 3.601 1.00 0.00 H new ATOM 0 HA ASN A 39 0.289 -11.065 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.299 -8.679 5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.120 -8.160 6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.319 -8.733 8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.907 -7.555 7.426 1.00 0.00 H new ATOM 576 N GLU A 40 -1.665 -11.406 6.731 1.00 0.00 N ATOM 577 CA GLU A 40 -2.863 -11.704 7.509 1.00 0.00 C ATOM 578 C GLU A 40 -3.284 -10.497 8.343 1.00 0.00 C ATOM 579 O GLU A 40 -4.474 -10.238 8.522 1.00 0.00 O ATOM 580 CB GLU A 40 -2.619 -12.908 8.420 1.00 0.00 C ATOM 581 CG GLU A 40 -3.827 -13.291 9.259 1.00 0.00 C ATOM 582 CD GLU A 40 -3.677 -14.652 9.911 1.00 0.00 C ATOM 583 OE1 GLU A 40 -2.930 -14.754 10.905 1.00 0.00 O ATOM 584 OE2 GLU A 40 -4.309 -15.614 9.426 1.00 0.00 O ATOM 0 H GLU A 40 -0.911 -12.084 6.840 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.668 -11.941 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.326 -13.762 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.782 -12.688 9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.982 -12.537 10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.717 -13.290 8.630 1.00 0.00 H new ATOM 591 N SER A 41 -2.299 -9.765 8.852 1.00 0.00 N ATOM 592 CA SER A 41 -2.566 -8.588 9.672 1.00 0.00 C ATOM 593 C SER A 41 -3.504 -7.626 8.951 1.00 0.00 C ATOM 594 O SER A 41 -4.277 -6.905 9.581 1.00 0.00 O ATOM 595 CB SER A 41 -1.257 -7.877 10.022 1.00 0.00 C ATOM 596 OG SER A 41 -0.377 -8.742 10.718 1.00 0.00 O ATOM 0 H SER A 41 -1.309 -9.965 8.712 1.00 0.00 H new ATOM 0 HA SER A 41 -3.049 -8.918 10.592 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.777 -7.522 9.110 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.468 -7.000 10.633 1.00 0.00 H new ATOM 0 HG SER A 41 0.452 -8.264 10.929 1.00 0.00 H new ATOM 602 N GLY A 42 -3.430 -7.619 7.623 1.00 0.00 N ATOM 603 CA GLY A 42 -4.277 -6.742 6.837 1.00 0.00 C ATOM 604 C GLY A 42 -3.490 -5.924 5.832 1.00 0.00 C ATOM 605 O GLY A 42 -4.040 -5.461 4.832 1.00 0.00 O ATOM 0 H GLY A 42 -2.798 -8.206 7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.023 -7.338 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.818 -6.070 7.504 1.00 0.00 H new ATOM 609 N TRP A 43 -2.201 -5.745 6.097 1.00 0.00 N ATOM 610 CA TRP A 43 -1.338 -4.976 5.207 1.00 0.00 C ATOM 611 C TRP A 43 -0.985 -5.780 3.961 1.00 0.00 C ATOM 612 O TRP A 43 -0.496 -6.906 4.057 1.00 0.00 O ATOM 613 CB TRP A 43 -0.061 -4.558 5.938 1.00 0.00 C ATOM 614 CG TRP A 43 -0.274 -3.438 6.912 1.00 0.00 C ATOM 615 CD1 TRP A 43 -0.707 -3.546 8.203 1.00 0.00 C ATOM 616 CD2 TRP A 43 -0.064 -2.043 6.673 1.00 0.00 C ATOM 617 NE1 TRP A 43 -0.780 -2.302 8.780 1.00 0.00 N ATOM 618 CE2 TRP A 43 -0.389 -1.362 7.863 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.369 -1.301 5.570 1.00 0.00 C ATOM 620 CZ2 TRP A 43 -0.296 0.022 7.978 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.461 0.073 5.686 1.00 0.00 C ATOM 622 CH2 TRP A 43 0.131 0.723 6.882 1.00 0.00 C ATOM 0 H TRP A 43 -1.730 -6.121 6.920 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.881 -4.083 4.898 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.344 -5.420 6.469 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.686 -4.255 5.205 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.955 -4.474 8.697 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -1.077 -2.109 9.736 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.627 -1.793 4.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.552 0.525 8.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.793 0.656 4.840 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.215 1.798 6.941 1.00 0.00 H new ATOM 633 N TRP A 44 -1.235 -5.196 2.795 1.00 0.00 N ATOM 634 CA TRP A 44 -0.942 -5.860 1.530 1.00 0.00 C ATOM 635 C TRP A 44 0.258 -5.218 0.843 1.00 0.00 C ATOM 636 O TRP A 44 0.508 -4.022 0.998 1.00 0.00 O ATOM 637 CB TRP A 44 -2.162 -5.807 0.609 1.00 0.00 C ATOM 638 CG TRP A 44 -3.205 -6.830 0.944 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.447 -7.383 2.169 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.143 -7.425 0.041 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.480 -8.285 2.082 1.00 0.00 N ATOM 642 CE2 TRP A 44 -4.925 -8.328 0.787 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.401 -7.280 -1.325 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -5.944 -9.082 0.212 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -5.413 -8.030 -1.895 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.175 -8.921 -1.127 1.00 0.00 C ATOM 0 H TRP A 44 -1.640 -4.265 2.699 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.700 -6.902 1.742 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.607 -4.814 0.664 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.837 -5.954 -0.421 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.906 -7.146 3.073 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.855 -8.834 2.856 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.820 -6.594 -1.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.532 -9.770 0.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.620 -7.928 -2.950 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.960 -9.492 -1.601 1.00 0.00 H new ATOM 657 N PHE A 45 0.997 -6.019 0.082 1.00 0.00 N ATOM 658 CA PHE A 45 2.172 -5.527 -0.628 1.00 0.00 C ATOM 659 C PHE A 45 1.875 -5.352 -2.115 1.00 0.00 C ATOM 660 O PHE A 45 1.752 -6.329 -2.854 1.00 0.00 O ATOM 661 CB PHE A 45 3.347 -6.490 -0.442 1.00 0.00 C ATOM 662 CG PHE A 45 4.585 -6.076 -1.184 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.067 -4.781 -1.086 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.266 -6.982 -1.981 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.206 -4.397 -1.768 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.406 -6.604 -2.665 1.00 0.00 C ATOM 667 CZ PHE A 45 6.876 -5.309 -2.559 1.00 0.00 C ATOM 0 H PHE A 45 0.803 -7.010 -0.059 1.00 0.00 H new ATOM 0 HA PHE A 45 2.437 -4.556 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.579 -6.567 0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.048 -7.484 -0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.547 -4.063 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.902 -7.995 -2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.572 -3.384 -1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.929 -7.320 -3.282 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.766 -5.011 -3.094 1.00 0.00 H new ATOM 677 N VAL A 46 1.759 -4.100 -2.545 1.00 0.00 N ATOM 678 CA VAL A 46 1.477 -3.795 -3.943 1.00 0.00 C ATOM 679 C VAL A 46 2.714 -3.249 -4.647 1.00 0.00 C ATOM 680 O VAL A 46 3.694 -2.876 -4.003 1.00 0.00 O ATOM 681 CB VAL A 46 0.332 -2.773 -4.074 1.00 0.00 C ATOM 682 CG1 VAL A 46 -0.915 -3.273 -3.361 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.761 -1.420 -3.528 1.00 0.00 C ATOM 0 H VAL A 46 1.856 -3.280 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 46 1.176 -4.730 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 46 0.094 -2.654 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.713 -2.538 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.233 -4.218 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.694 -3.423 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.060 -0.710 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.027 -1.520 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.624 -1.059 -4.088 1.00 0.00 H new ATOM 693 N SER A 47 2.661 -3.205 -5.975 1.00 0.00 N ATOM 694 CA SER A 47 3.779 -2.708 -6.768 1.00 0.00 C ATOM 695 C SER A 47 3.281 -2.005 -8.027 1.00 0.00 C ATOM 696 O SER A 47 2.608 -2.607 -8.865 1.00 0.00 O ATOM 697 CB SER A 47 4.714 -3.858 -7.148 1.00 0.00 C ATOM 698 OG SER A 47 5.585 -4.181 -6.078 1.00 0.00 O ATOM 0 H SER A 47 1.856 -3.507 -6.524 1.00 0.00 H new ATOM 0 HA SER A 47 4.329 -1.987 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.126 -4.735 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.298 -3.581 -8.026 1.00 0.00 H new ATOM 0 HG SER A 47 5.160 -3.944 -5.227 1.00 0.00 H new ATOM 704 N THR A 48 3.617 -0.725 -8.155 1.00 0.00 N ATOM 705 CA THR A 48 3.205 0.062 -9.310 1.00 0.00 C ATOM 706 C THR A 48 4.353 0.231 -10.298 1.00 0.00 C ATOM 707 O THR A 48 5.508 -0.045 -9.976 1.00 0.00 O ATOM 708 CB THR A 48 2.695 1.453 -8.889 1.00 0.00 C ATOM 709 OG1 THR A 48 3.785 2.250 -8.411 1.00 0.00 O ATOM 710 CG2 THR A 48 1.633 1.336 -7.806 1.00 0.00 C ATOM 0 H THR A 48 4.174 -0.211 -7.472 1.00 0.00 H new ATOM 0 HA THR A 48 2.393 -0.484 -9.791 1.00 0.00 H new ATOM 0 HB THR A 48 2.250 1.932 -9.761 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.381 1.696 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.288 2.331 -7.525 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.792 0.754 -8.182 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.057 0.839 -6.933 1.00 0.00 H new ATOM 718 N SER A 49 4.027 0.689 -11.503 1.00 0.00 N ATOM 719 CA SER A 49 5.032 0.892 -12.541 1.00 0.00 C ATOM 720 C SER A 49 6.107 1.868 -12.072 1.00 0.00 C ATOM 721 O SER A 49 7.248 1.818 -12.530 1.00 0.00 O ATOM 722 CB SER A 49 4.376 1.415 -13.820 1.00 0.00 C ATOM 723 OG SER A 49 5.273 1.350 -14.916 1.00 0.00 O ATOM 0 H SER A 49 3.076 0.926 -11.784 1.00 0.00 H new ATOM 0 HA SER A 49 5.503 -0.069 -12.749 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.484 0.829 -14.041 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.052 2.445 -13.671 1.00 0.00 H new ATOM 0 HG SER A 49 4.830 1.688 -15.722 1.00 0.00 H new ATOM 729 N GLU A 50 5.733 2.756 -11.155 1.00 0.00 N ATOM 730 CA GLU A 50 6.664 3.744 -10.625 1.00 0.00 C ATOM 731 C GLU A 50 7.578 3.121 -9.573 1.00 0.00 C ATOM 732 O GLU A 50 8.796 3.074 -9.744 1.00 0.00 O ATOM 733 CB GLU A 50 5.901 4.923 -10.019 1.00 0.00 C ATOM 734 CG GLU A 50 6.768 6.145 -9.767 1.00 0.00 C ATOM 735 CD GLU A 50 6.125 7.130 -8.809 1.00 0.00 C ATOM 736 OE1 GLU A 50 6.138 6.866 -7.589 1.00 0.00 O ATOM 737 OE2 GLU A 50 5.609 8.164 -9.281 1.00 0.00 O ATOM 0 H GLU A 50 4.792 2.811 -10.765 1.00 0.00 H new ATOM 0 HA GLU A 50 7.280 4.104 -11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.085 5.199 -10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.450 4.608 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.729 5.827 -9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.969 6.644 -10.715 1.00 0.00 H new ATOM 744 N GLU A 51 6.980 2.645 -8.486 1.00 0.00 N ATOM 745 CA GLU A 51 7.740 2.026 -7.406 1.00 0.00 C ATOM 746 C GLU A 51 6.898 0.984 -6.676 1.00 0.00 C ATOM 747 O GLU A 51 5.731 0.774 -7.004 1.00 0.00 O ATOM 748 CB GLU A 51 8.224 3.090 -6.418 1.00 0.00 C ATOM 749 CG GLU A 51 9.067 4.178 -7.060 1.00 0.00 C ATOM 750 CD GLU A 51 9.815 5.015 -6.040 1.00 0.00 C ATOM 751 OE1 GLU A 51 10.250 4.452 -5.015 1.00 0.00 O ATOM 752 OE2 GLU A 51 9.964 6.234 -6.269 1.00 0.00 O ATOM 0 H GLU A 51 5.973 2.676 -8.330 1.00 0.00 H new ATOM 0 HA GLU A 51 8.605 1.527 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.359 3.548 -5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.806 2.607 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.782 3.722 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.424 4.826 -7.656 1.00 0.00 H new ATOM 759 N GLN A 52 7.501 0.333 -5.686 1.00 0.00 N ATOM 760 CA GLN A 52 6.808 -0.689 -4.911 1.00 0.00 C ATOM 761 C GLN A 52 6.754 -0.309 -3.434 1.00 0.00 C ATOM 762 O GLN A 52 7.659 0.345 -2.918 1.00 0.00 O ATOM 763 CB GLN A 52 7.500 -2.043 -5.076 1.00 0.00 C ATOM 764 CG GLN A 52 7.830 -2.385 -6.520 1.00 0.00 C ATOM 765 CD GLN A 52 8.556 -3.708 -6.655 1.00 0.00 C ATOM 766 OE1 GLN A 52 8.707 -4.449 -5.683 1.00 0.00 O ATOM 767 NE2 GLN A 52 9.012 -4.014 -7.865 1.00 0.00 N ATOM 0 H GLN A 52 8.467 0.495 -5.402 1.00 0.00 H new ATOM 0 HA GLN A 52 5.787 -0.763 -5.287 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.420 -2.045 -4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.859 -2.822 -4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.908 -2.420 -7.101 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.445 -1.592 -6.946 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.865 -3.371 -8.643 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.509 -4.892 -8.016 1.00 0.00 H new ATOM 776 N GLY A 53 5.686 -0.723 -2.760 1.00 0.00 N ATOM 777 CA GLY A 53 5.534 -0.417 -1.350 1.00 0.00 C ATOM 778 C GLY A 53 4.405 -1.197 -0.705 1.00 0.00 C ATOM 779 O GLY A 53 3.653 -1.892 -1.388 1.00 0.00 O ATOM 0 H GLY A 53 4.923 -1.265 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.467 -0.638 -0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.348 0.650 -1.231 1.00 0.00 H new ATOM 783 N TRP A 54 4.288 -1.084 0.613 1.00 0.00 N ATOM 784 CA TRP A 54 3.244 -1.787 1.350 1.00 0.00 C ATOM 785 C TRP A 54 2.109 -0.839 1.722 1.00 0.00 C ATOM 786 O TRP A 54 2.345 0.284 2.168 1.00 0.00 O ATOM 787 CB TRP A 54 3.825 -2.427 2.612 1.00 0.00 C ATOM 788 CG TRP A 54 4.713 -3.600 2.328 1.00 0.00 C ATOM 789 CD1 TRP A 54 5.970 -3.566 1.794 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.411 -4.980 2.562 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.467 -4.842 1.681 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.531 -5.727 2.146 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.306 -5.657 3.083 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.573 -7.116 2.236 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.349 -7.035 3.171 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.476 -7.753 2.750 1.00 0.00 C ATOM 0 H TRP A 54 4.903 -0.513 1.193 1.00 0.00 H new ATOM 0 HA TRP A 54 2.843 -2.570 0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.392 -1.677 3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.007 -2.747 3.258 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.496 -2.668 1.503 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.385 -5.090 1.311 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.433 -5.113 3.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.441 -7.671 1.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.499 -7.568 3.571 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.479 -8.830 2.833 1.00 0.00 H new ATOM 807 N VAL A 55 0.875 -1.299 1.537 1.00 0.00 N ATOM 808 CA VAL A 55 -0.297 -0.492 1.855 1.00 0.00 C ATOM 809 C VAL A 55 -1.453 -1.365 2.330 1.00 0.00 C ATOM 810 O VAL A 55 -1.532 -2.555 2.022 1.00 0.00 O ATOM 811 CB VAL A 55 -0.757 0.333 0.639 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.139 1.547 0.447 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.774 -0.530 -0.614 1.00 0.00 C ATOM 0 H VAL A 55 0.662 -2.226 1.169 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.006 0.187 2.656 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.772 0.686 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.202 2.118 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.096 2.175 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.166 1.219 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.101 0.069 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.228 -0.914 -0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.461 -1.364 -0.472 1.00 0.00 H new ATOM 823 N PRO A 56 -2.373 -0.763 3.097 1.00 0.00 N ATOM 824 CA PRO A 56 -3.543 -1.467 3.630 1.00 0.00 C ATOM 825 C PRO A 56 -4.547 -1.830 2.541 1.00 0.00 C ATOM 826 O PRO A 56 -4.880 -1.005 1.691 1.00 0.00 O ATOM 827 CB PRO A 56 -4.153 -0.456 4.604 1.00 0.00 C ATOM 828 CG PRO A 56 -3.705 0.873 4.099 1.00 0.00 C ATOM 829 CD PRO A 56 -2.343 0.652 3.503 1.00 0.00 C ATOM 0 HA PRO A 56 -3.271 -2.415 4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.241 -0.528 4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.807 -0.630 5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.399 1.261 3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.664 1.604 4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.165 1.310 2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.551 0.846 4.227 1.00 0.00 H new ATOM 837 N ALA A 57 -5.026 -3.070 2.573 1.00 0.00 N ATOM 838 CA ALA A 57 -5.993 -3.541 1.590 1.00 0.00 C ATOM 839 C ALA A 57 -7.227 -2.645 1.562 1.00 0.00 C ATOM 840 O ALA A 57 -7.916 -2.550 0.545 1.00 0.00 O ATOM 841 CB ALA A 57 -6.390 -4.979 1.887 1.00 0.00 C ATOM 0 H ALA A 57 -4.760 -3.766 3.269 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.524 -3.501 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.113 -5.318 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.506 -5.616 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.836 -5.036 2.880 1.00 0.00 H new ATOM 847 N THR A 58 -7.503 -1.989 2.685 1.00 0.00 N ATOM 848 CA THR A 58 -8.655 -1.103 2.789 1.00 0.00 C ATOM 849 C THR A 58 -8.625 -0.032 1.705 1.00 0.00 C ATOM 850 O THR A 58 -9.665 0.499 1.315 1.00 0.00 O ATOM 851 CB THR A 58 -8.714 -0.419 4.168 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.443 0.161 4.483 1.00 0.00 O ATOM 853 CG2 THR A 58 -9.105 -1.414 5.250 1.00 0.00 C ATOM 0 H THR A 58 -6.944 -2.055 3.535 1.00 0.00 H new ATOM 0 HA THR A 58 -9.543 -1.722 2.660 1.00 0.00 H new ATOM 0 HB THR A 58 -9.470 0.365 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.490 0.595 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.140 -0.908 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.086 -1.831 5.023 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.369 -2.217 5.289 1.00 0.00 H new ATOM 861 N TYR A 59 -7.428 0.279 1.220 1.00 0.00 N ATOM 862 CA TYR A 59 -7.263 1.288 0.181 1.00 0.00 C ATOM 863 C TYR A 59 -7.195 0.642 -1.200 1.00 0.00 C ATOM 864 O TYR A 59 -6.577 1.179 -2.120 1.00 0.00 O ATOM 865 CB TYR A 59 -5.998 2.110 0.434 1.00 0.00 C ATOM 866 CG TYR A 59 -6.164 3.160 1.509 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.419 2.801 2.826 1.00 0.00 C ATOM 868 CD2 TYR A 59 -6.065 4.513 1.206 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.572 3.758 3.811 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.215 5.477 2.184 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.469 5.094 3.485 1.00 0.00 C ATOM 872 OH TYR A 59 -6.619 6.051 4.463 1.00 0.00 O ATOM 0 H TYR A 59 -6.558 -0.153 1.530 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.129 1.949 0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.188 1.437 0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.699 2.597 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.499 1.756 3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.867 4.816 0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.771 3.461 4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.134 6.524 1.932 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.516 6.942 4.068 1.00 0.00 H new ATOM 882 N LEU A 60 -7.835 -0.514 -1.337 1.00 0.00 N ATOM 883 CA LEU A 60 -7.849 -1.235 -2.605 1.00 0.00 C ATOM 884 C LEU A 60 -9.207 -1.886 -2.846 1.00 0.00 C ATOM 885 O LEU A 60 -9.971 -2.115 -1.909 1.00 0.00 O ATOM 886 CB LEU A 60 -6.750 -2.300 -2.621 1.00 0.00 C ATOM 887 CG LEU A 60 -5.349 -1.824 -2.235 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.406 -3.008 -2.088 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.817 -0.841 -3.267 1.00 0.00 C ATOM 0 H LEU A 60 -8.351 -0.972 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.663 -0.518 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.039 -3.102 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.703 -2.730 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.411 -1.313 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.414 -2.651 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.779 -3.676 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.349 -3.547 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.819 -0.513 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.770 -1.327 -4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.481 0.022 -3.324 1.00 0.00 H new ATOM 901 N GLU A 61 -9.499 -2.184 -4.108 1.00 0.00 N ATOM 902 CA GLU A 61 -10.765 -2.810 -4.471 1.00 0.00 C ATOM 903 C GLU A 61 -10.586 -3.749 -5.661 1.00 0.00 C ATOM 904 O GLU A 61 -10.097 -3.345 -6.716 1.00 0.00 O ATOM 905 CB GLU A 61 -11.811 -1.744 -4.802 1.00 0.00 C ATOM 906 CG GLU A 61 -13.226 -2.288 -4.900 1.00 0.00 C ATOM 907 CD GLU A 61 -14.274 -1.193 -4.894 1.00 0.00 C ATOM 908 OE1 GLU A 61 -13.903 -0.018 -4.684 1.00 0.00 O ATOM 909 OE2 GLU A 61 -15.465 -1.509 -5.097 1.00 0.00 O ATOM 0 H GLU A 61 -8.877 -2.002 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.110 -3.394 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.781 -0.968 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.547 -1.270 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.323 -2.874 -5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.409 -2.966 -4.066 1.00 0.00 H new ATOM 916 N ALA A 62 -10.985 -5.004 -5.482 1.00 0.00 N ATOM 917 CA ALA A 62 -10.870 -6.000 -6.540 1.00 0.00 C ATOM 918 C ALA A 62 -11.650 -5.576 -7.780 1.00 0.00 C ATOM 919 O ALA A 62 -12.881 -5.567 -7.776 1.00 0.00 O ATOM 920 CB ALA A 62 -11.357 -7.354 -6.045 1.00 0.00 C ATOM 0 H ALA A 62 -11.391 -5.355 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.818 -6.083 -6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.266 -8.088 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.754 -7.668 -5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.401 -7.276 -5.741 1.00 0.00 H new ATOM 926 N GLN A 63 -10.926 -5.226 -8.838 1.00 0.00 N ATOM 927 CA GLN A 63 -11.552 -4.800 -10.084 1.00 0.00 C ATOM 928 C GLN A 63 -12.583 -5.821 -10.552 1.00 0.00 C ATOM 929 O GLN A 63 -12.249 -6.971 -10.833 1.00 0.00 O ATOM 930 CB GLN A 63 -10.492 -4.594 -11.167 1.00 0.00 C ATOM 931 CG GLN A 63 -10.694 -3.328 -11.984 1.00 0.00 C ATOM 932 CD GLN A 63 -10.259 -3.489 -13.428 1.00 0.00 C ATOM 933 OE1 GLN A 63 -10.873 -4.232 -14.194 1.00 0.00 O ATOM 934 NE2 GLN A 63 -9.194 -2.792 -13.807 1.00 0.00 N ATOM 0 H GLN A 63 -9.906 -5.229 -8.857 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.062 -3.854 -9.900 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.508 -4.561 -10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.498 -5.454 -11.837 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.746 -3.046 -11.955 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.132 -2.513 -11.528 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.715 -2.188 -13.139 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.855 -2.861 -14.766 1.00 0.00 H new ATOM 943 N ASN A 64 -13.839 -5.392 -10.634 1.00 0.00 N ATOM 944 CA ASN A 64 -14.920 -6.270 -11.067 1.00 0.00 C ATOM 945 C ASN A 64 -15.168 -6.127 -12.566 1.00 0.00 C ATOM 946 O ASN A 64 -14.422 -5.445 -13.267 1.00 0.00 O ATOM 947 CB ASN A 64 -16.202 -5.954 -10.294 1.00 0.00 C ATOM 948 CG ASN A 64 -15.982 -5.934 -8.794 1.00 0.00 C ATOM 949 OD1 ASN A 64 -15.815 -6.980 -8.165 1.00 0.00 O ATOM 950 ND2 ASN A 64 -15.981 -4.741 -8.212 1.00 0.00 N ATOM 0 H ASN A 64 -14.133 -4.442 -10.406 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.624 -7.299 -10.862 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.587 -4.986 -10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.962 -6.696 -10.537 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.838 -4.665 -7.205 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.123 -3.900 -8.772 1.00 0.00 H new ATOM 957 N SER A 65 -16.223 -6.775 -13.049 1.00 0.00 N ATOM 958 CA SER A 65 -16.569 -6.723 -14.465 1.00 0.00 C ATOM 959 C SER A 65 -17.989 -6.198 -14.659 1.00 0.00 C ATOM 960 O SER A 65 -18.214 -5.244 -15.401 1.00 0.00 O ATOM 961 CB SER A 65 -16.436 -8.111 -15.095 1.00 0.00 C ATOM 962 OG SER A 65 -16.657 -8.059 -16.494 1.00 0.00 O ATOM 0 H SER A 65 -16.853 -7.342 -12.481 1.00 0.00 H new ATOM 0 HA SER A 65 -15.877 -6.040 -14.958 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.442 -8.511 -14.895 1.00 0.00 H new ATOM 0 HB3 SER A 65 -17.152 -8.793 -14.636 1.00 0.00 H new ATOM 0 HG SER A 65 -16.565 -8.958 -16.873 1.00 0.00 H new ATOM 968 N GLY A 66 -18.944 -6.831 -13.983 1.00 0.00 N ATOM 969 CA GLY A 66 -20.330 -6.415 -14.094 1.00 0.00 C ATOM 970 C GLY A 66 -21.263 -7.282 -13.272 1.00 0.00 C ATOM 971 O GLY A 66 -22.034 -8.080 -13.805 1.00 0.00 O ATOM 0 H GLY A 66 -18.782 -7.623 -13.361 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.422 -5.378 -13.770 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.634 -6.450 -15.140 1.00 0.00 H new ATOM 975 N PRO A 67 -21.199 -7.130 -11.941 1.00 0.00 N ATOM 976 CA PRO A 67 -22.037 -7.898 -11.015 1.00 0.00 C ATOM 977 C PRO A 67 -23.505 -7.492 -11.089 1.00 0.00 C ATOM 978 O PRO A 67 -23.825 -6.319 -11.285 1.00 0.00 O ATOM 979 CB PRO A 67 -21.455 -7.554 -9.642 1.00 0.00 C ATOM 980 CG PRO A 67 -20.817 -6.221 -9.824 1.00 0.00 C ATOM 981 CD PRO A 67 -20.303 -6.197 -11.237 1.00 0.00 C ATOM 0 HA PRO A 67 -22.026 -8.964 -11.243 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -22.233 -7.520 -8.880 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -20.728 -8.300 -9.322 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -21.535 -5.418 -9.656 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -20.005 -6.076 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -20.349 -5.195 -11.665 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -19.263 -6.519 -11.292 1.00 0.00 H new ATOM 989 N SER A 68 -24.393 -8.468 -10.931 1.00 0.00 N ATOM 990 CA SER A 68 -25.827 -8.212 -10.983 1.00 0.00 C ATOM 991 C SER A 68 -26.293 -7.472 -9.733 1.00 0.00 C ATOM 992 O SER A 68 -25.647 -7.531 -8.687 1.00 0.00 O ATOM 993 CB SER A 68 -26.596 -9.526 -11.128 1.00 0.00 C ATOM 994 OG SER A 68 -26.834 -10.120 -9.863 1.00 0.00 O ATOM 0 H SER A 68 -24.144 -9.443 -10.766 1.00 0.00 H new ATOM 0 HA SER A 68 -26.027 -7.584 -11.851 1.00 0.00 H new ATOM 0 HB2 SER A 68 -27.545 -9.342 -11.631 1.00 0.00 H new ATOM 0 HB3 SER A 68 -26.031 -10.215 -11.756 1.00 0.00 H new ATOM 0 HG SER A 68 -27.328 -10.958 -9.983 1.00 0.00 H new ATOM 1000 N SER A 69 -27.419 -6.776 -9.849 1.00 0.00 N ATOM 1001 CA SER A 69 -27.971 -6.021 -8.730 1.00 0.00 C ATOM 1002 C SER A 69 -29.325 -6.585 -8.309 1.00 0.00 C ATOM 1003 O SER A 69 -30.364 -6.194 -8.839 1.00 0.00 O ATOM 1004 CB SER A 69 -28.115 -4.545 -9.105 1.00 0.00 C ATOM 1005 OG SER A 69 -28.383 -4.394 -10.488 1.00 0.00 O ATOM 0 H SER A 69 -27.967 -6.719 -10.707 1.00 0.00 H new ATOM 0 HA SER A 69 -27.283 -6.110 -7.889 1.00 0.00 H new ATOM 0 HB2 SER A 69 -28.921 -4.096 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 69 -27.201 -4.010 -8.848 1.00 0.00 H new ATOM 0 HG SER A 69 -28.472 -3.442 -10.702 1.00 0.00 H new ATOM 1011 N GLY A 70 -29.303 -7.508 -7.352 1.00 0.00 N ATOM 1012 CA GLY A 70 -30.534 -8.111 -6.876 1.00 0.00 C ATOM 1013 C GLY A 70 -30.337 -8.893 -5.592 1.00 0.00 C ATOM 1014 O GLY A 70 -30.826 -8.495 -4.534 1.00 0.00 O ATOM 0 H GLY A 70 -28.455 -7.849 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -31.278 -7.331 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -30.931 -8.774 -7.645 1.00 0.00 H new TER 1018 GLY A 70