USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 684 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: B 23 GLN : amide:sc= -1.54! C(o=-4.1!,f=-5.8!) USER MOD Set 1.2: B 41 TYR OH : rot 69:sc= -2.6! USER MOD Set 2.1: B 15 SER OG : rot -75:sc= 1.8! USER MOD Set 2.2: B 18 THR OG1 : rot 47:sc= 1.31 USER MOD Set 3.1: A 7 GLN : amide:sc= -0.654 K(o=-6.8,f=-5.4) USER MOD Set 3.2: B 1 MET CE :methyl 156:sc= -6.19! (180deg=-4!) USER MOD Set 4.1: A 21 ASN : amide:sc= -2.13! K(o=-2.5!,f=-0.83) USER MOD Set 4.2: A 25 GLN : amide:sc= -0.317 X(o=-2.5,f=-2.4) USER MOD Single : A 1 MET CE :methyl -142:sc= -3.93! (180deg=-7.08!) USER MOD Single : A 1 MET N :NH3+ -111:sc= 1.25 (180deg=-0.173) USER MOD Single : A 4 ASN : amide:sc= -0.672 K(o=-0.67,f=-2.5) USER MOD Single : A 5 LYS NZ :NH3+ -122:sc= -0.0133 (180deg=-0.408) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.245) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -4.42! C(o=-4.4!,f=-9.1!) USER MOD Single : A 27 MET CE :methyl -124:sc= -12.4! (180deg=-19.8!) USER MOD Single : A 41 TYR OH : rot 70:sc= -3.26! USER MOD Single : A 43 SER OG : rot 48:sc= -12.2! USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -0.399 (180deg=-1.27!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -111:sc= 0.64 (180deg=0) USER MOD Single : B 4 ASN : amide:sc= -1.81 X(o=-1.8,f=-1.3) USER MOD Single : B 5 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.265) USER MOD Single : B 6 LYS NZ :NH3+ 161:sc= -0.0769 (180deg=-0.436) USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 20 GLN : amide:sc= -0.399 K(o=-0.4,f=-4.1!) USER MOD Single : B 21 ASN : amide:sc= -0.864 K(o=-0.86,f=-0.002) USER MOD Single : B 25 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.7) USER MOD Single : B 27 MET CE :methyl 166:sc= -6.52! (180deg=-6.96!) USER MOD Single : B 43 SER OG : rot -39:sc= -8.87! USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.069 6.819 -3.096 1.00 0.00 N ATOM 2 CA MET A 1 -1.626 7.955 -3.887 1.00 0.00 C ATOM 3 C MET A 1 -3.090 7.686 -4.239 1.00 0.00 C ATOM 4 O MET A 1 -3.487 6.565 -4.476 1.00 0.00 O ATOM 5 CB MET A 1 -0.760 8.013 -5.151 1.00 0.00 C ATOM 6 CG MET A 1 -1.492 8.742 -6.277 1.00 0.00 C ATOM 7 SD MET A 1 -0.455 10.089 -6.896 1.00 0.00 S ATOM 8 CE MET A 1 0.423 9.125 -8.151 1.00 0.00 C ATOM 0 H1 MET A 1 -0.891 7.130 -2.120 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.750 6.033 -3.090 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.177 6.501 -3.526 1.00 0.00 H new ATOM 0 HA MET A 1 -1.606 8.896 -3.338 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.178 8.522 -4.931 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.507 7.002 -5.470 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.724 8.047 -7.084 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.441 9.137 -5.913 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.465 9.442 -8.190 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.375 8.066 -7.896 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.042 9.285 -9.124 1.00 0.00 H new ATOM 20 N GLU A 2 -3.889 8.714 -4.282 1.00 0.00 N ATOM 21 CA GLU A 2 -5.319 8.540 -4.629 1.00 0.00 C ATOM 22 C GLU A 2 -5.580 9.246 -5.963 1.00 0.00 C ATOM 23 O GLU A 2 -5.803 10.440 -6.021 1.00 0.00 O ATOM 24 CB GLU A 2 -6.080 9.197 -3.470 1.00 0.00 C ATOM 25 CG GLU A 2 -7.483 9.586 -3.921 1.00 0.00 C ATOM 26 CD GLU A 2 -8.142 10.460 -2.851 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.435 10.913 -1.966 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.342 10.662 -2.936 1.00 0.00 O ATOM 0 H GLU A 2 -3.606 9.675 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.627 7.502 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.138 8.509 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.542 10.080 -3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.435 10.125 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.082 8.692 -4.094 1.00 0.00 H new ATOM 35 N VAL A 3 -5.510 8.518 -7.039 1.00 0.00 N ATOM 36 CA VAL A 3 -5.719 9.135 -8.377 1.00 0.00 C ATOM 37 C VAL A 3 -7.161 8.910 -8.854 1.00 0.00 C ATOM 38 O VAL A 3 -7.918 8.183 -8.242 1.00 0.00 O ATOM 39 CB VAL A 3 -4.719 8.414 -9.275 1.00 0.00 C ATOM 40 CG1 VAL A 3 -3.324 8.475 -8.642 1.00 0.00 C ATOM 41 CG2 VAL A 3 -5.142 6.955 -9.435 1.00 0.00 C ATOM 0 H VAL A 3 -5.316 7.517 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.570 10.215 -8.377 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.694 8.896 -10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.610 7.959 -9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.022 9.516 -8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.347 7.993 -7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.429 6.438 -10.077 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.166 6.474 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.134 6.911 -9.886 1.00 0.00 H new ATOM 51 N ASN A 4 -7.551 9.536 -9.936 1.00 0.00 N ATOM 52 CA ASN A 4 -8.951 9.364 -10.439 1.00 0.00 C ATOM 53 C ASN A 4 -9.005 8.298 -11.540 1.00 0.00 C ATOM 54 O ASN A 4 -8.044 7.602 -11.791 1.00 0.00 O ATOM 55 CB ASN A 4 -9.352 10.731 -11.003 1.00 0.00 C ATOM 56 CG ASN A 4 -8.827 11.844 -10.093 1.00 0.00 C ATOM 57 OD1 ASN A 4 -9.306 12.023 -8.992 1.00 0.00 O ATOM 58 ND2 ASN A 4 -7.853 12.605 -10.514 1.00 0.00 N ATOM 0 H ASN A 4 -6.964 10.157 -10.492 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.624 9.035 -9.647 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.950 10.851 -12.009 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.437 10.797 -11.084 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.494 13.351 -9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.451 12.454 -11.439 1.00 0.00 H new ATOM 65 N LYS A 5 -10.127 8.169 -12.201 1.00 0.00 N ATOM 66 CA LYS A 5 -10.251 7.149 -13.283 1.00 0.00 C ATOM 67 C LYS A 5 -9.172 7.359 -14.342 1.00 0.00 C ATOM 68 O LYS A 5 -8.644 6.418 -14.899 1.00 0.00 O ATOM 69 CB LYS A 5 -11.628 7.387 -13.891 1.00 0.00 C ATOM 70 CG LYS A 5 -12.699 7.397 -12.802 1.00 0.00 C ATOM 71 CD LYS A 5 -13.496 6.096 -12.871 1.00 0.00 C ATOM 72 CE LYS A 5 -14.294 6.056 -14.176 1.00 0.00 C ATOM 73 NZ LYS A 5 -15.443 6.978 -13.953 1.00 0.00 N ATOM 0 H LYS A 5 -10.964 8.728 -12.037 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.133 6.135 -12.901 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.636 8.336 -14.426 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.850 6.608 -14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.236 7.503 -11.821 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.362 8.252 -12.935 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.822 5.241 -12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.170 6.024 -12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.686 6.380 -15.021 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.636 5.045 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.335 6.460 -14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.402 7.356 -12.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.395 7.763 -14.633 1.00 0.00 H new ATOM 87 N LYS A 6 -8.836 8.585 -14.621 1.00 0.00 N ATOM 88 CA LYS A 6 -7.795 8.852 -15.633 1.00 0.00 C ATOM 89 C LYS A 6 -6.444 8.515 -15.047 1.00 0.00 C ATOM 90 O LYS A 6 -5.824 7.522 -15.376 1.00 0.00 O ATOM 91 CB LYS A 6 -7.889 10.358 -15.871 1.00 0.00 C ATOM 92 CG LYS A 6 -8.183 10.628 -17.332 1.00 0.00 C ATOM 93 CD LYS A 6 -9.512 11.376 -17.456 1.00 0.00 C ATOM 94 CE LYS A 6 -10.608 10.586 -16.738 1.00 0.00 C ATOM 95 NZ LYS A 6 -11.645 10.338 -17.777 1.00 0.00 N ATOM 0 H LYS A 6 -9.243 9.414 -14.187 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.922 8.272 -16.547 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.674 10.786 -15.247 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.955 10.840 -15.583 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.379 11.218 -17.773 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.229 9.689 -17.884 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.423 12.372 -17.023 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.772 11.507 -18.506 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.221 9.650 -16.335 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.016 11.150 -15.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.327 9.636 -17.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.142 11.226 -17.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.192 9.978 -18.641 1.00 0.00 H new ATOM 109 N GLN A 7 -6.001 9.347 -14.168 1.00 0.00 N ATOM 110 CA GLN A 7 -4.690 9.117 -13.513 1.00 0.00 C ATOM 111 C GLN A 7 -4.529 7.633 -13.170 1.00 0.00 C ATOM 112 O GLN A 7 -3.490 7.058 -13.387 1.00 0.00 O ATOM 113 CB GLN A 7 -4.730 9.968 -12.246 1.00 0.00 C ATOM 114 CG GLN A 7 -4.812 11.448 -12.619 1.00 0.00 C ATOM 115 CD GLN A 7 -3.603 11.828 -13.476 1.00 0.00 C ATOM 116 OE1 GLN A 7 -3.753 12.371 -14.553 1.00 0.00 O ATOM 117 NE2 GLN A 7 -2.401 11.565 -13.040 1.00 0.00 N ATOM 0 H GLN A 7 -6.492 10.189 -13.867 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.849 9.385 -14.153 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.589 9.689 -11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.840 9.784 -11.645 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.734 11.645 -13.165 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.838 12.060 -11.717 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.275 11.109 -12.136 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.588 11.815 -13.603 1.00 0.00 H new ATOM 126 N LEU A 8 -5.550 7.003 -12.649 1.00 0.00 N ATOM 127 CA LEU A 8 -5.433 5.552 -12.310 1.00 0.00 C ATOM 128 C LEU A 8 -5.176 4.748 -13.581 1.00 0.00 C ATOM 129 O LEU A 8 -4.227 3.993 -13.666 1.00 0.00 O ATOM 130 CB LEU A 8 -6.791 5.162 -11.712 1.00 0.00 C ATOM 131 CG LEU A 8 -6.700 3.823 -10.960 1.00 0.00 C ATOM 132 CD1 LEU A 8 -8.099 3.210 -10.870 1.00 0.00 C ATOM 133 CD2 LEU A 8 -5.775 2.844 -11.698 1.00 0.00 C ATOM 0 H LEU A 8 -6.455 7.427 -12.444 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.613 5.356 -11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.130 5.943 -11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.534 5.087 -12.506 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.294 4.006 -9.965 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.046 2.260 -10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.760 3.890 -10.333 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.488 3.043 -11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.726 1.904 -11.148 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.165 2.659 -12.699 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.776 3.273 -11.772 1.00 0.00 H new ATOM 145 N ALA A 9 -6.008 4.901 -14.574 1.00 0.00 N ATOM 146 CA ALA A 9 -5.784 4.132 -15.829 1.00 0.00 C ATOM 147 C ALA A 9 -4.470 4.597 -16.457 1.00 0.00 C ATOM 148 O ALA A 9 -3.804 3.866 -17.161 1.00 0.00 O ATOM 149 CB ALA A 9 -6.976 4.453 -16.728 1.00 0.00 C ATOM 0 H ALA A 9 -6.822 5.516 -14.572 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.709 3.057 -15.666 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.874 3.918 -17.672 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.898 4.145 -16.234 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.008 5.525 -16.921 1.00 0.00 H new ATOM 155 N ASP A 10 -4.089 5.815 -16.180 1.00 0.00 N ATOM 156 CA ASP A 10 -2.808 6.352 -16.726 1.00 0.00 C ATOM 157 C ASP A 10 -1.628 5.836 -15.893 1.00 0.00 C ATOM 158 O ASP A 10 -0.658 5.329 -16.419 1.00 0.00 O ATOM 159 CB ASP A 10 -2.927 7.870 -16.599 1.00 0.00 C ATOM 160 CG ASP A 10 -2.962 8.499 -17.992 1.00 0.00 C ATOM 161 OD1 ASP A 10 -3.367 7.816 -18.918 1.00 0.00 O ATOM 162 OD2 ASP A 10 -2.582 9.652 -18.110 1.00 0.00 O ATOM 0 H ASP A 10 -4.613 6.466 -15.595 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.635 6.043 -17.757 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.831 8.129 -16.049 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.084 8.265 -16.031 1.00 0.00 H new ATOM 167 N ILE A 11 -1.711 5.956 -14.594 1.00 0.00 N ATOM 168 CA ILE A 11 -0.602 5.468 -13.721 1.00 0.00 C ATOM 169 C ILE A 11 -0.333 3.988 -14.015 1.00 0.00 C ATOM 170 O ILE A 11 0.781 3.516 -13.910 1.00 0.00 O ATOM 171 CB ILE A 11 -1.098 5.716 -12.282 1.00 0.00 C ATOM 172 CG1 ILE A 11 0.012 6.314 -11.454 1.00 0.00 C ATOM 173 CG2 ILE A 11 -1.511 4.431 -11.593 1.00 0.00 C ATOM 174 CD1 ILE A 11 -0.590 6.856 -10.160 1.00 0.00 C ATOM 0 H ILE A 11 -2.500 6.372 -14.099 1.00 0.00 H new ATOM 0 HA ILE A 11 0.347 5.978 -13.888 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.955 6.385 -12.359 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.769 5.561 -11.234 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.508 7.113 -12.005 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.853 4.654 -10.582 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.318 3.961 -12.154 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.659 3.753 -11.546 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.198 7.293 -9.547 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.332 7.619 -10.395 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.067 6.043 -9.612 1.00 0.00 H new ATOM 186 N PHE A 12 -1.339 3.264 -14.417 1.00 0.00 N ATOM 187 CA PHE A 12 -1.125 1.831 -14.756 1.00 0.00 C ATOM 188 C PHE A 12 -0.999 1.686 -16.272 1.00 0.00 C ATOM 189 O PHE A 12 -0.826 0.600 -16.789 1.00 0.00 O ATOM 190 CB PHE A 12 -2.372 1.091 -14.275 1.00 0.00 C ATOM 191 CG PHE A 12 -2.431 1.019 -12.764 1.00 0.00 C ATOM 192 CD1 PHE A 12 -1.533 1.723 -11.959 1.00 0.00 C ATOM 193 CD2 PHE A 12 -3.421 0.240 -12.173 1.00 0.00 C ATOM 194 CE1 PHE A 12 -1.638 1.647 -10.560 1.00 0.00 C ATOM 195 CE2 PHE A 12 -3.528 0.154 -10.787 1.00 0.00 C ATOM 196 CZ PHE A 12 -2.640 0.862 -9.975 1.00 0.00 C ATOM 0 H PHE A 12 -2.296 3.601 -14.525 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.221 1.436 -14.293 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.262 1.595 -14.651 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.379 0.082 -14.688 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.759 2.325 -12.411 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.115 -0.304 -12.796 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.947 2.194 -9.936 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.297 -0.460 -10.341 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.725 0.805 -8.900 1.00 0.00 H new ATOM 206 N GLY A 13 -1.104 2.771 -16.992 1.00 0.00 N ATOM 207 CA GLY A 13 -1.008 2.693 -18.474 1.00 0.00 C ATOM 208 C GLY A 13 -2.172 1.855 -18.998 1.00 0.00 C ATOM 209 O GLY A 13 -2.165 1.392 -20.121 1.00 0.00 O ATOM 0 H GLY A 13 -1.252 3.707 -16.615 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.037 3.693 -18.907 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.058 2.246 -18.768 1.00 0.00 H new ATOM 213 N ALA A 14 -3.174 1.658 -18.183 1.00 0.00 N ATOM 214 CA ALA A 14 -4.343 0.847 -18.622 1.00 0.00 C ATOM 215 C ALA A 14 -5.369 1.731 -19.328 1.00 0.00 C ATOM 216 O ALA A 14 -5.115 2.876 -19.645 1.00 0.00 O ATOM 217 CB ALA A 14 -4.963 0.298 -17.333 1.00 0.00 C ATOM 0 H ALA A 14 -3.232 2.024 -17.233 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.044 0.061 -19.315 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.833 -0.312 -17.578 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.229 -0.312 -16.807 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.269 1.127 -16.695 1.00 0.00 H new ATOM 223 N SER A 15 -6.541 1.208 -19.531 1.00 0.00 N ATOM 224 CA SER A 15 -7.621 2.002 -20.163 1.00 0.00 C ATOM 225 C SER A 15 -8.671 2.274 -19.109 1.00 0.00 C ATOM 226 O SER A 15 -9.062 1.399 -18.373 1.00 0.00 O ATOM 227 CB SER A 15 -8.194 1.132 -21.271 1.00 0.00 C ATOM 228 OG SER A 15 -7.412 1.292 -22.446 1.00 0.00 O ATOM 0 H SER A 15 -6.799 0.253 -19.283 1.00 0.00 H new ATOM 0 HA SER A 15 -7.271 2.952 -20.567 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.198 0.087 -20.963 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.229 1.410 -21.469 1.00 0.00 H new ATOM 0 HG SER A 15 -7.778 0.731 -23.161 1.00 0.00 H new ATOM 234 N ILE A 16 -9.130 3.471 -19.013 1.00 0.00 N ATOM 235 CA ILE A 16 -10.154 3.754 -17.978 1.00 0.00 C ATOM 236 C ILE A 16 -11.243 2.700 -18.091 1.00 0.00 C ATOM 237 O ILE A 16 -11.759 2.202 -17.110 1.00 0.00 O ATOM 238 CB ILE A 16 -10.696 5.138 -18.290 1.00 0.00 C ATOM 239 CG1 ILE A 16 -9.519 6.072 -18.634 1.00 0.00 C ATOM 240 CG2 ILE A 16 -11.452 5.625 -17.059 1.00 0.00 C ATOM 241 CD1 ILE A 16 -9.707 7.456 -18.017 1.00 0.00 C ATOM 0 H ILE A 16 -8.851 4.262 -19.593 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.756 3.726 -16.963 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.372 5.123 -19.145 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.588 5.635 -18.273 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.430 6.164 -19.716 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.856 6.619 -17.250 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.269 4.938 -16.838 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.773 5.666 -16.208 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.859 8.089 -18.279 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.625 7.903 -18.398 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.771 7.365 -16.933 1.00 0.00 H new ATOM 253 N ARG A 17 -11.554 2.324 -19.295 1.00 0.00 N ATOM 254 CA ARG A 17 -12.571 1.256 -19.491 1.00 0.00 C ATOM 255 C ARG A 17 -12.189 0.105 -18.582 1.00 0.00 C ATOM 256 O ARG A 17 -13.016 -0.527 -17.954 1.00 0.00 O ATOM 257 CB ARG A 17 -12.450 0.773 -20.939 1.00 0.00 C ATOM 258 CG ARG A 17 -11.989 1.879 -21.877 1.00 0.00 C ATOM 259 CD ARG A 17 -12.829 3.140 -21.650 1.00 0.00 C ATOM 260 NE ARG A 17 -14.044 2.949 -22.491 1.00 0.00 N ATOM 261 CZ ARG A 17 -15.120 3.650 -22.255 1.00 0.00 C ATOM 262 NH1 ARG A 17 -15.053 4.953 -22.214 1.00 0.00 N ATOM 263 NH2 ARG A 17 -16.263 3.050 -22.061 1.00 0.00 N ATOM 0 H ARG A 17 -11.151 2.707 -20.150 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.579 1.611 -19.278 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.746 -0.058 -20.986 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.414 0.392 -21.275 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.935 2.098 -21.705 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.082 1.552 -22.913 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.091 3.256 -20.598 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.283 4.036 -21.943 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.035 2.270 -23.252 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.161 5.423 -22.366 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.893 5.501 -22.030 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.317 2.032 -22.094 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.103 3.599 -21.877 1.00 0.00 H new ATOM 277 N THR A 18 -10.913 -0.154 -18.511 1.00 0.00 N ATOM 278 CA THR A 18 -10.422 -1.242 -17.651 1.00 0.00 C ATOM 279 C THR A 18 -10.636 -0.819 -16.208 1.00 0.00 C ATOM 280 O THR A 18 -10.965 -1.617 -15.353 1.00 0.00 O ATOM 281 CB THR A 18 -8.936 -1.373 -17.990 1.00 0.00 C ATOM 282 OG1 THR A 18 -8.793 -1.717 -19.361 1.00 0.00 O ATOM 283 CG2 THR A 18 -8.282 -2.450 -17.125 1.00 0.00 C ATOM 0 H THR A 18 -10.190 0.353 -19.021 1.00 0.00 H new ATOM 0 HA THR A 18 -10.930 -2.195 -17.798 1.00 0.00 H new ATOM 0 HB THR A 18 -8.446 -0.420 -17.794 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.841 -1.800 -19.580 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.225 -2.529 -17.380 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.382 -2.183 -16.073 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.771 -3.407 -17.304 1.00 0.00 H new ATOM 291 N ILE A 19 -10.484 0.452 -15.940 1.00 0.00 N ATOM 292 CA ILE A 19 -10.717 0.936 -14.562 1.00 0.00 C ATOM 293 C ILE A 19 -12.201 0.778 -14.244 1.00 0.00 C ATOM 294 O ILE A 19 -12.584 0.481 -13.129 1.00 0.00 O ATOM 295 CB ILE A 19 -10.313 2.409 -14.563 1.00 0.00 C ATOM 296 CG1 ILE A 19 -8.888 2.543 -15.098 1.00 0.00 C ATOM 297 CG2 ILE A 19 -10.369 2.946 -13.133 1.00 0.00 C ATOM 298 CD1 ILE A 19 -7.951 1.700 -14.238 1.00 0.00 C ATOM 0 H ILE A 19 -10.210 1.166 -16.616 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.148 0.384 -13.814 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.995 2.977 -15.196 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.844 2.214 -16.136 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.577 3.587 -15.081 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.081 3.997 -13.128 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.383 2.845 -12.746 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.683 2.379 -12.504 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.932 1.791 -14.614 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.990 2.050 -13.207 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.261 0.656 -14.278 1.00 0.00 H new ATOM 310 N GLN A 20 -13.038 0.936 -15.235 1.00 0.00 N ATOM 311 CA GLN A 20 -14.492 0.751 -15.009 1.00 0.00 C ATOM 312 C GLN A 20 -14.720 -0.723 -14.731 1.00 0.00 C ATOM 313 O GLN A 20 -15.672 -1.116 -14.086 1.00 0.00 O ATOM 314 CB GLN A 20 -15.168 1.169 -16.316 1.00 0.00 C ATOM 315 CG GLN A 20 -14.927 2.660 -16.566 1.00 0.00 C ATOM 316 CD GLN A 20 -16.138 3.260 -17.284 1.00 0.00 C ATOM 317 OE1 GLN A 20 -16.305 3.080 -18.473 1.00 0.00 O ATOM 318 NE2 GLN A 20 -16.993 3.974 -16.605 1.00 0.00 N ATOM 0 H GLN A 20 -12.773 1.185 -16.188 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.885 1.332 -14.175 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.773 0.583 -17.145 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.238 0.967 -16.264 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.759 3.176 -15.620 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.029 2.798 -17.168 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -16.852 4.125 -15.606 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.803 4.381 -17.073 1.00 0.00 H new ATOM 327 N ASN A 21 -13.820 -1.545 -15.203 1.00 0.00 N ATOM 328 CA ASN A 21 -13.945 -2.999 -14.957 1.00 0.00 C ATOM 329 C ASN A 21 -13.306 -3.323 -13.610 1.00 0.00 C ATOM 330 O ASN A 21 -13.603 -4.321 -12.985 1.00 0.00 O ATOM 331 CB ASN A 21 -13.184 -3.666 -16.102 1.00 0.00 C ATOM 332 CG ASN A 21 -13.393 -5.179 -16.041 1.00 0.00 C ATOM 333 OD1 ASN A 21 -14.408 -5.684 -16.478 1.00 0.00 O ATOM 334 ND2 ASN A 21 -12.467 -5.929 -15.511 1.00 0.00 N ATOM 0 H ASN A 21 -13.005 -1.265 -15.748 1.00 0.00 H new ATOM 0 HA ASN A 21 -14.979 -3.343 -14.923 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.533 -3.278 -17.059 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.122 -3.432 -16.032 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.595 -6.940 -15.463 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.615 -5.505 -15.144 1.00 0.00 H new ATOM 341 N TRP A 22 -12.440 -2.461 -13.157 1.00 0.00 N ATOM 342 CA TRP A 22 -11.777 -2.674 -11.845 1.00 0.00 C ATOM 343 C TRP A 22 -12.720 -2.247 -10.727 1.00 0.00 C ATOM 344 O TRP A 22 -12.948 -2.966 -9.774 1.00 0.00 O ATOM 345 CB TRP A 22 -10.564 -1.759 -11.877 1.00 0.00 C ATOM 346 CG TRP A 22 -9.553 -2.298 -12.831 1.00 0.00 C ATOM 347 CD1 TRP A 22 -9.687 -3.422 -13.571 1.00 0.00 C ATOM 348 CD2 TRP A 22 -8.254 -1.751 -13.149 1.00 0.00 C ATOM 349 NE1 TRP A 22 -8.537 -3.599 -14.321 1.00 0.00 N ATOM 350 CE2 TRP A 22 -7.624 -2.590 -14.095 1.00 0.00 C ATOM 351 CE3 TRP A 22 -7.572 -0.616 -12.706 1.00 0.00 C ATOM 352 CZ2 TRP A 22 -6.351 -2.306 -14.586 1.00 0.00 C ATOM 353 CZ3 TRP A 22 -6.296 -0.324 -13.195 1.00 0.00 C ATOM 354 CH2 TRP A 22 -5.684 -1.167 -14.133 1.00 0.00 C ATOM 0 H TRP A 22 -12.162 -1.610 -13.646 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.506 -3.715 -11.672 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.862 -0.754 -12.177 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.131 -1.678 -10.880 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.548 -4.073 -13.576 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.384 -4.378 -14.961 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.033 0.039 -11.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.886 -2.960 -15.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.778 0.558 -12.848 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.697 -0.935 -14.505 1.00 0.00 H new ATOM 365 N GLN A 23 -13.277 -1.074 -10.846 1.00 0.00 N ATOM 366 CA GLN A 23 -14.216 -0.586 -9.808 1.00 0.00 C ATOM 367 C GLN A 23 -15.361 -1.597 -9.658 1.00 0.00 C ATOM 368 O GLN A 23 -16.031 -1.645 -8.646 1.00 0.00 O ATOM 369 CB GLN A 23 -14.701 0.771 -10.348 1.00 0.00 C ATOM 370 CG GLN A 23 -16.208 0.935 -10.143 1.00 0.00 C ATOM 371 CD GLN A 23 -16.531 0.870 -8.650 1.00 0.00 C ATOM 372 OE1 GLN A 23 -15.641 0.783 -7.828 1.00 0.00 O ATOM 373 NE2 GLN A 23 -17.776 0.907 -8.261 1.00 0.00 N ATOM 0 H GLN A 23 -13.119 -0.432 -11.623 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.772 -0.476 -8.819 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.171 1.578 -9.842 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.464 0.850 -11.409 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.540 1.887 -10.556 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.746 0.151 -10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.524 0.980 -8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.001 0.863 -7.267 1.00 0.00 H new ATOM 382 N GLU A 24 -15.590 -2.409 -10.660 1.00 0.00 N ATOM 383 CA GLU A 24 -16.692 -3.408 -10.565 1.00 0.00 C ATOM 384 C GLU A 24 -16.129 -4.824 -10.389 1.00 0.00 C ATOM 385 O GLU A 24 -16.863 -5.768 -10.180 1.00 0.00 O ATOM 386 CB GLU A 24 -17.448 -3.291 -11.889 1.00 0.00 C ATOM 387 CG GLU A 24 -18.135 -1.926 -11.963 1.00 0.00 C ATOM 388 CD GLU A 24 -19.174 -1.818 -10.846 1.00 0.00 C ATOM 389 OE1 GLU A 24 -19.950 -2.747 -10.696 1.00 0.00 O ATOM 390 OE2 GLU A 24 -19.176 -0.810 -10.160 1.00 0.00 O ATOM 0 H GLU A 24 -15.064 -2.422 -11.534 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.337 -3.222 -9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.759 -3.410 -12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.188 -4.088 -11.970 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.397 -1.130 -11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -18.614 -1.800 -12.934 1.00 0.00 H new ATOM 397 N GLN A 25 -14.836 -4.978 -10.461 1.00 0.00 N ATOM 398 CA GLN A 25 -14.240 -6.335 -10.286 1.00 0.00 C ATOM 399 C GLN A 25 -13.856 -6.543 -8.822 1.00 0.00 C ATOM 400 O GLN A 25 -13.572 -7.643 -8.390 1.00 0.00 O ATOM 401 CB GLN A 25 -12.994 -6.340 -11.170 1.00 0.00 C ATOM 402 CG GLN A 25 -13.362 -6.854 -12.561 1.00 0.00 C ATOM 403 CD GLN A 25 -13.246 -8.380 -12.587 1.00 0.00 C ATOM 404 OE1 GLN A 25 -13.333 -9.024 -11.561 1.00 0.00 O ATOM 405 NE2 GLN A 25 -13.052 -8.990 -13.724 1.00 0.00 N ATOM 0 H GLN A 25 -14.167 -4.227 -10.633 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.932 -7.132 -10.558 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.580 -5.334 -11.240 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.224 -6.972 -10.728 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.378 -6.551 -12.816 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.702 -6.415 -13.309 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.979 -8.450 -14.586 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.974 -10.007 -13.750 1.00 0.00 H new ATOM 414 N GLY A 26 -13.844 -5.488 -8.062 1.00 0.00 N ATOM 415 CA GLY A 26 -13.475 -5.600 -6.623 1.00 0.00 C ATOM 416 C GLY A 26 -12.264 -4.711 -6.341 1.00 0.00 C ATOM 417 O GLY A 26 -11.534 -4.919 -5.392 1.00 0.00 O ATOM 0 H GLY A 26 -14.075 -4.545 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.315 -5.300 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.246 -6.636 -6.374 1.00 0.00 H new ATOM 421 N MET A 27 -12.044 -3.720 -7.161 1.00 0.00 N ATOM 422 CA MET A 27 -10.879 -2.816 -6.947 1.00 0.00 C ATOM 423 C MET A 27 -11.177 -1.822 -5.821 1.00 0.00 C ATOM 424 O MET A 27 -12.269 -1.294 -5.731 1.00 0.00 O ATOM 425 CB MET A 27 -10.700 -2.087 -8.277 1.00 0.00 C ATOM 426 CG MET A 27 -9.262 -1.585 -8.389 1.00 0.00 C ATOM 427 SD MET A 27 -9.138 0.045 -7.617 1.00 0.00 S ATOM 428 CE MET A 27 -10.260 0.907 -8.744 1.00 0.00 C ATOM 0 H MET A 27 -12.622 -3.497 -7.971 1.00 0.00 H new ATOM 0 HA MET A 27 -9.980 -3.360 -6.655 1.00 0.00 H new ATOM 0 HB2 MET A 27 -10.929 -2.757 -9.106 1.00 0.00 H new ATOM 0 HB3 MET A 27 -11.395 -1.250 -8.342 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.582 -2.284 -7.902 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.965 -1.528 -9.436 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.746 1.759 -9.188 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.579 0.225 -9.532 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.132 1.257 -8.192 1.00 0.00 H new ATOM 438 N PRO A 28 -10.191 -1.609 -4.994 1.00 0.00 N ATOM 439 CA PRO A 28 -10.341 -0.681 -3.852 1.00 0.00 C ATOM 440 C PRO A 28 -10.196 0.775 -4.301 1.00 0.00 C ATOM 441 O PRO A 28 -9.132 1.358 -4.218 1.00 0.00 O ATOM 442 CB PRO A 28 -9.196 -1.069 -2.923 1.00 0.00 C ATOM 443 CG PRO A 28 -8.160 -1.691 -3.809 1.00 0.00 C ATOM 444 CD PRO A 28 -8.858 -2.215 -5.041 1.00 0.00 C ATOM 0 HA PRO A 28 -11.321 -0.753 -3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.798 -0.197 -2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.531 -1.769 -2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.402 -0.957 -4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.648 -2.500 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.325 -1.932 -5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.916 -3.303 -5.031 1.00 0.00 H new ATOM 452 N VAL A 29 -11.264 1.381 -4.737 1.00 0.00 N ATOM 453 CA VAL A 29 -11.166 2.815 -5.141 1.00 0.00 C ATOM 454 C VAL A 29 -11.099 3.653 -3.862 1.00 0.00 C ATOM 455 O VAL A 29 -11.448 3.196 -2.792 1.00 0.00 O ATOM 456 CB VAL A 29 -12.376 3.162 -6.047 1.00 0.00 C ATOM 457 CG1 VAL A 29 -13.327 1.989 -6.207 1.00 0.00 C ATOM 458 CG2 VAL A 29 -13.146 4.341 -5.486 1.00 0.00 C ATOM 0 H VAL A 29 -12.187 0.957 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.270 3.026 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.968 3.414 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.158 2.280 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.797 1.150 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.709 1.695 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.990 4.567 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.512 4.095 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.490 5.210 -5.428 1.00 0.00 H new ATOM 468 N LEU A 30 -10.632 4.859 -3.955 1.00 0.00 N ATOM 469 CA LEU A 30 -10.514 5.704 -2.750 1.00 0.00 C ATOM 470 C LEU A 30 -11.871 6.278 -2.382 1.00 0.00 C ATOM 471 O LEU A 30 -12.508 5.849 -1.442 1.00 0.00 O ATOM 472 CB LEU A 30 -9.554 6.819 -3.190 1.00 0.00 C ATOM 473 CG LEU A 30 -8.193 6.717 -2.481 1.00 0.00 C ATOM 474 CD1 LEU A 30 -8.210 7.548 -1.199 1.00 0.00 C ATOM 475 CD2 LEU A 30 -7.865 5.262 -2.144 1.00 0.00 C ATOM 0 H LEU A 30 -10.325 5.298 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.159 5.162 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.406 6.766 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.003 7.789 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.426 7.101 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.243 7.471 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.410 8.591 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.990 7.176 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.898 5.214 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.635 4.858 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.828 4.675 -3.062 1.00 0.00 H new ATOM 606 N LEU A 40 -12.453 7.936 -6.813 1.00 0.00 N ATOM 607 CA LEU A 40 -10.970 8.073 -6.731 1.00 0.00 C ATOM 608 C LEU A 40 -10.362 6.681 -6.615 1.00 0.00 C ATOM 609 O LEU A 40 -11.070 5.699 -6.537 1.00 0.00 O ATOM 610 CB LEU A 40 -10.701 8.890 -5.462 1.00 0.00 C ATOM 611 CG LEU A 40 -10.191 10.277 -5.833 1.00 0.00 C ATOM 612 CD1 LEU A 40 -8.950 10.147 -6.715 1.00 0.00 C ATOM 613 CD2 LEU A 40 -11.292 11.031 -6.578 1.00 0.00 C ATOM 0 HA LEU A 40 -10.538 8.560 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.615 8.975 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.967 8.378 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.924 10.828 -4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.586 11.140 -6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.173 9.608 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.204 9.600 -7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.934 12.025 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.559 10.485 -7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.169 11.122 -5.937 1.00 0.00 H new ATOM 625 N TYR A 41 -9.070 6.568 -6.636 1.00 0.00 N ATOM 626 CA TYR A 41 -8.472 5.209 -6.560 1.00 0.00 C ATOM 627 C TYR A 41 -7.211 5.171 -5.705 1.00 0.00 C ATOM 628 O TYR A 41 -6.286 5.934 -5.907 1.00 0.00 O ATOM 629 CB TYR A 41 -8.115 4.886 -8.002 1.00 0.00 C ATOM 630 CG TYR A 41 -9.375 4.733 -8.797 1.00 0.00 C ATOM 631 CD1 TYR A 41 -10.240 3.676 -8.521 1.00 0.00 C ATOM 632 CD2 TYR A 41 -9.677 5.637 -9.817 1.00 0.00 C ATOM 633 CE1 TYR A 41 -11.410 3.516 -9.265 1.00 0.00 C ATOM 634 CE2 TYR A 41 -10.844 5.476 -10.564 1.00 0.00 C ATOM 635 CZ TYR A 41 -11.710 4.413 -10.290 1.00 0.00 C ATOM 636 OH TYR A 41 -12.865 4.253 -11.027 1.00 0.00 O ATOM 0 H TYR A 41 -8.409 7.342 -6.701 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.162 4.501 -6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.499 5.680 -8.424 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.528 3.969 -8.048 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.005 2.979 -7.730 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.009 6.459 -10.027 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.082 2.699 -9.047 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.079 6.173 -11.355 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.642 4.460 -10.467 1.00 0.00 H new ATOM 646 N ASP A 42 -7.139 4.247 -4.787 1.00 0.00 N ATOM 647 CA ASP A 42 -5.903 4.128 -3.975 1.00 0.00 C ATOM 648 C ASP A 42 -4.791 3.678 -4.909 1.00 0.00 C ATOM 649 O ASP A 42 -4.456 2.514 -4.974 1.00 0.00 O ATOM 650 CB ASP A 42 -6.198 3.061 -2.925 1.00 0.00 C ATOM 651 CG ASP A 42 -5.399 3.358 -1.652 1.00 0.00 C ATOM 652 OD1 ASP A 42 -4.201 3.566 -1.760 1.00 0.00 O ATOM 653 OD2 ASP A 42 -6.001 3.375 -0.591 1.00 0.00 O ATOM 0 H ASP A 42 -7.876 3.577 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.603 5.059 -3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.265 3.042 -2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.935 2.075 -3.310 1.00 0.00 H new ATOM 658 N SER A 43 -4.259 4.602 -5.657 1.00 0.00 N ATOM 659 CA SER A 43 -3.186 4.286 -6.639 1.00 0.00 C ATOM 660 C SER A 43 -2.332 3.107 -6.186 1.00 0.00 C ATOM 661 O SER A 43 -1.875 2.340 -6.995 1.00 0.00 O ATOM 662 CB SER A 43 -2.348 5.555 -6.714 1.00 0.00 C ATOM 663 OG SER A 43 -3.216 6.675 -6.803 1.00 0.00 O ATOM 0 H SER A 43 -4.529 5.585 -5.628 1.00 0.00 H new ATOM 0 HA SER A 43 -3.601 3.996 -7.605 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.713 5.640 -5.832 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.688 5.520 -7.581 1.00 0.00 H new ATOM 0 HG SER A 43 -3.913 6.604 -6.117 1.00 0.00 H new ATOM 669 N ALA A 44 -2.113 2.946 -4.913 1.00 0.00 N ATOM 670 CA ALA A 44 -1.285 1.793 -4.452 1.00 0.00 C ATOM 671 C ALA A 44 -2.174 0.594 -4.155 1.00 0.00 C ATOM 672 O ALA A 44 -1.934 -0.503 -4.617 1.00 0.00 O ATOM 673 CB ALA A 44 -0.586 2.270 -3.191 1.00 0.00 C ATOM 0 H ALA A 44 -2.467 3.555 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.568 1.477 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.041 1.470 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.034 3.136 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.331 2.547 -2.445 1.00 0.00 H new ATOM 679 N ALA A 45 -3.216 0.789 -3.408 1.00 0.00 N ATOM 680 CA ALA A 45 -4.114 -0.352 -3.129 1.00 0.00 C ATOM 681 C ALA A 45 -4.709 -0.782 -4.457 1.00 0.00 C ATOM 682 O ALA A 45 -5.075 -1.923 -4.661 1.00 0.00 O ATOM 683 CB ALA A 45 -5.191 0.187 -2.192 1.00 0.00 C ATOM 0 H ALA A 45 -3.482 1.678 -2.984 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.616 -1.207 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.891 -0.611 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.726 0.557 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.726 1.000 -2.682 1.00 0.00 H new ATOM 689 N VAL A 46 -4.780 0.141 -5.374 1.00 0.00 N ATOM 690 CA VAL A 46 -5.318 -0.182 -6.713 1.00 0.00 C ATOM 691 C VAL A 46 -4.354 -1.120 -7.428 1.00 0.00 C ATOM 692 O VAL A 46 -4.757 -1.931 -8.229 1.00 0.00 O ATOM 693 CB VAL A 46 -5.401 1.147 -7.461 1.00 0.00 C ATOM 694 CG1 VAL A 46 -5.753 0.888 -8.927 1.00 0.00 C ATOM 695 CG2 VAL A 46 -6.482 2.019 -6.834 1.00 0.00 C ATOM 0 H VAL A 46 -4.485 1.109 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.291 -0.670 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.439 1.655 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.812 1.837 -9.460 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.983 0.264 -9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.715 0.378 -8.986 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.540 2.967 -7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.443 1.508 -6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.237 2.207 -5.789 1.00 0.00 H new ATOM 705 N ILE A 47 -3.078 -1.024 -7.136 1.00 0.00 N ATOM 706 CA ILE A 47 -2.105 -1.943 -7.816 1.00 0.00 C ATOM 707 C ILE A 47 -1.951 -3.227 -7.022 1.00 0.00 C ATOM 708 O ILE A 47 -2.076 -4.303 -7.562 1.00 0.00 O ATOM 709 CB ILE A 47 -0.752 -1.237 -7.963 1.00 0.00 C ATOM 710 CG1 ILE A 47 -0.705 0.063 -7.173 1.00 0.00 C ATOM 711 CG2 ILE A 47 -0.567 -0.932 -9.440 1.00 0.00 C ATOM 712 CD1 ILE A 47 0.477 0.915 -7.628 1.00 0.00 C ATOM 0 H ILE A 47 -2.673 -0.365 -6.471 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.483 -2.198 -8.806 1.00 0.00 H new ATOM 0 HB ILE A 47 0.038 -1.881 -7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.635 0.615 -7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.618 -0.153 -6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.387 -0.427 -9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.579 -1.862 -10.008 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.376 -0.287 -9.783 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.499 1.842 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.405 0.366 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.372 1.146 -8.688 1.00 0.00 H new ATOM 724 N LYS A 48 -1.702 -3.141 -5.748 1.00 0.00 N ATOM 725 CA LYS A 48 -1.578 -4.388 -4.958 1.00 0.00 C ATOM 726 C LYS A 48 -2.754 -5.295 -5.330 1.00 0.00 C ATOM 727 O LYS A 48 -2.655 -6.507 -5.365 1.00 0.00 O ATOM 728 CB LYS A 48 -1.670 -3.948 -3.496 1.00 0.00 C ATOM 729 CG LYS A 48 -0.671 -4.740 -2.657 1.00 0.00 C ATOM 730 CD LYS A 48 -1.403 -5.413 -1.494 1.00 0.00 C ATOM 731 CE LYS A 48 -1.775 -4.361 -0.446 1.00 0.00 C ATOM 732 NZ LYS A 48 -3.244 -4.164 -0.602 1.00 0.00 N ATOM 0 H LYS A 48 -1.581 -2.273 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.652 -4.933 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.464 -2.881 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.681 -4.107 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.177 -5.491 -3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.107 -4.078 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.301 -5.913 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.770 -6.179 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.527 -4.701 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.232 -3.430 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.658 -3.899 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.421 -3.407 -1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.679 -5.047 -0.936 1.00 0.00 H new ATOM 746 N TRP A 49 -3.863 -4.679 -5.640 1.00 0.00 N ATOM 747 CA TRP A 49 -5.077 -5.433 -6.047 1.00 0.00 C ATOM 748 C TRP A 49 -5.039 -5.682 -7.561 1.00 0.00 C ATOM 749 O TRP A 49 -5.571 -6.656 -8.050 1.00 0.00 O ATOM 750 CB TRP A 49 -6.230 -4.506 -5.659 1.00 0.00 C ATOM 751 CG TRP A 49 -7.462 -4.836 -6.438 1.00 0.00 C ATOM 752 CD1 TRP A 49 -8.530 -5.502 -5.946 1.00 0.00 C ATOM 753 CD2 TRP A 49 -7.781 -4.516 -7.823 1.00 0.00 C ATOM 754 NE1 TRP A 49 -9.489 -5.605 -6.937 1.00 0.00 N ATOM 755 CE2 TRP A 49 -9.072 -5.017 -8.113 1.00 0.00 C ATOM 756 CE3 TRP A 49 -7.084 -3.848 -8.844 1.00 0.00 C ATOM 757 CZ2 TRP A 49 -9.652 -4.857 -9.370 1.00 0.00 C ATOM 758 CZ3 TRP A 49 -7.664 -3.690 -10.113 1.00 0.00 C ATOM 759 CH2 TRP A 49 -8.946 -4.193 -10.373 1.00 0.00 C ATOM 0 H TRP A 49 -3.978 -3.666 -5.627 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.167 -6.411 -5.575 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.433 -4.598 -4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.946 -3.469 -5.841 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.620 -5.891 -4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.394 -6.060 -6.813 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.097 -3.454 -8.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.641 -5.244 -9.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.119 -3.178 -10.893 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.387 -4.066 -11.350 1.00 0.00 H new ATOM 770 N TYR A 50 -4.400 -4.810 -8.307 1.00 0.00 N ATOM 771 CA TYR A 50 -4.319 -5.008 -9.785 1.00 0.00 C ATOM 772 C TYR A 50 -3.122 -5.906 -10.128 1.00 0.00 C ATOM 773 O TYR A 50 -3.058 -6.505 -11.182 1.00 0.00 O ATOM 774 CB TYR A 50 -4.145 -3.591 -10.362 1.00 0.00 C ATOM 775 CG TYR A 50 -3.231 -3.598 -11.570 1.00 0.00 C ATOM 776 CD1 TYR A 50 -1.839 -3.715 -11.407 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.778 -3.495 -12.851 1.00 0.00 C ATOM 778 CE1 TYR A 50 -1.003 -3.730 -12.532 1.00 0.00 C ATOM 779 CE2 TYR A 50 -2.945 -3.507 -13.975 1.00 0.00 C ATOM 780 CZ TYR A 50 -1.557 -3.627 -13.816 1.00 0.00 C ATOM 781 OH TYR A 50 -0.733 -3.641 -14.924 1.00 0.00 O ATOM 0 H TYR A 50 -3.934 -3.974 -7.955 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.200 -5.500 -10.197 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.118 -3.188 -10.642 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.735 -2.932 -9.597 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.415 -3.793 -10.417 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.847 -3.406 -12.974 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.066 -3.821 -12.410 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.371 -3.424 -14.964 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.276 -3.562 -15.736 1.00 0.00 H new ATOM 791 N ALA A 51 -2.176 -6.005 -9.242 1.00 0.00 N ATOM 792 CA ALA A 51 -0.995 -6.860 -9.514 1.00 0.00 C ATOM 793 C ALA A 51 -1.329 -8.307 -9.172 1.00 0.00 C ATOM 794 O ALA A 51 -0.738 -9.233 -9.688 1.00 0.00 O ATOM 795 CB ALA A 51 0.095 -6.329 -8.586 1.00 0.00 C ATOM 0 H ALA A 51 -2.170 -5.529 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.685 -6.834 -10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.007 -6.910 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.293 -5.283 -8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.235 -6.415 -7.551 1.00 0.00 H new ATOM 1092 N MET B 1 1.747 6.518 -17.770 1.00 0.00 N ATOM 1093 CA MET B 1 2.107 7.724 -16.970 1.00 0.00 C ATOM 1094 C MET B 1 3.588 7.679 -16.600 1.00 0.00 C ATOM 1095 O MET B 1 4.150 6.631 -16.353 1.00 0.00 O ATOM 1096 CB MET B 1 1.230 7.650 -15.715 1.00 0.00 C ATOM 1097 CG MET B 1 1.804 8.516 -14.588 1.00 0.00 C ATOM 1098 SD MET B 1 0.679 9.895 -14.261 1.00 0.00 S ATOM 1099 CE MET B 1 -0.222 9.125 -12.896 1.00 0.00 C ATOM 0 H1 MET B 1 1.538 6.800 -18.749 1.00 0.00 H new ATOM 0 H2 MET B 1 2.543 5.848 -17.766 1.00 0.00 H new ATOM 0 H3 MET B 1 0.909 6.063 -17.354 1.00 0.00 H new ATOM 0 HA MET B 1 1.944 8.651 -17.519 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.220 7.982 -15.954 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.155 6.615 -15.380 1.00 0.00 H new ATOM 0 HG2 MET B 1 1.937 7.918 -13.686 1.00 0.00 H new ATOM 0 HG3 MET B 1 2.788 8.893 -14.868 1.00 0.00 H new ATOM 0 HE1 MET B 1 -0.659 9.899 -12.266 1.00 0.00 H new ATOM 0 HE2 MET B 1 -1.014 8.491 -13.295 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.464 8.519 -12.303 1.00 0.00 H new ATOM 1111 N GLU B 2 4.213 8.815 -16.546 1.00 0.00 N ATOM 1112 CA GLU B 2 5.644 8.867 -16.178 1.00 0.00 C ATOM 1113 C GLU B 2 5.763 9.605 -14.842 1.00 0.00 C ATOM 1114 O GLU B 2 5.824 10.815 -14.783 1.00 0.00 O ATOM 1115 CB GLU B 2 6.300 9.634 -17.330 1.00 0.00 C ATOM 1116 CG GLU B 2 7.594 10.289 -16.862 1.00 0.00 C ATOM 1117 CD GLU B 2 8.214 11.081 -18.015 1.00 0.00 C ATOM 1118 OE1 GLU B 2 7.490 11.833 -18.647 1.00 0.00 O ATOM 1119 OE2 GLU B 2 9.402 10.924 -18.244 1.00 0.00 O ATOM 0 H GLU B 2 3.786 9.720 -16.744 1.00 0.00 H new ATOM 0 HA GLU B 2 6.118 7.894 -16.046 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.507 8.954 -18.157 1.00 0.00 H new ATOM 0 HB3 GLU B 2 5.615 10.394 -17.706 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.394 10.950 -16.019 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.293 9.529 -16.512 1.00 0.00 H new ATOM 1126 N VAL B 3 5.745 8.876 -13.761 1.00 0.00 N ATOM 1127 CA VAL B 3 5.815 9.520 -12.424 1.00 0.00 C ATOM 1128 C VAL B 3 7.270 9.649 -11.957 1.00 0.00 C ATOM 1129 O VAL B 3 8.171 9.061 -12.524 1.00 0.00 O ATOM 1130 CB VAL B 3 5.023 8.582 -11.516 1.00 0.00 C ATOM 1131 CG1 VAL B 3 3.642 8.320 -12.131 1.00 0.00 C ATOM 1132 CG2 VAL B 3 5.775 7.258 -11.370 1.00 0.00 C ATOM 0 H VAL B 3 5.685 7.858 -13.748 1.00 0.00 H new ATOM 0 HA VAL B 3 5.412 10.533 -12.423 1.00 0.00 H new ATOM 0 HB VAL B 3 4.903 9.042 -10.535 1.00 0.00 H new ATOM 0 HG11 VAL B 3 3.076 7.650 -11.483 1.00 0.00 H new ATOM 0 HG12 VAL B 3 3.105 9.263 -12.235 1.00 0.00 H new ATOM 0 HG13 VAL B 3 3.762 7.860 -13.112 1.00 0.00 H new ATOM 0 HG21 VAL B 3 5.210 6.588 -10.722 1.00 0.00 H new ATOM 0 HG22 VAL B 3 5.895 6.798 -12.351 1.00 0.00 H new ATOM 0 HG23 VAL B 3 6.756 7.443 -10.933 1.00 0.00 H new ATOM 1142 N ASN B 4 7.502 10.424 -10.932 1.00 0.00 N ATOM 1143 CA ASN B 4 8.897 10.610 -10.427 1.00 0.00 C ATOM 1144 C ASN B 4 9.210 9.605 -9.317 1.00 0.00 C ATOM 1145 O ASN B 4 8.519 8.624 -9.130 1.00 0.00 O ATOM 1146 CB ASN B 4 8.942 12.039 -9.870 1.00 0.00 C ATOM 1147 CG ASN B 4 8.060 12.967 -10.713 1.00 0.00 C ATOM 1148 OD1 ASN B 4 8.358 13.229 -11.860 1.00 0.00 O ATOM 1149 ND2 ASN B 4 6.979 13.479 -10.186 1.00 0.00 N ATOM 0 H ASN B 4 6.785 10.938 -10.420 1.00 0.00 H new ATOM 0 HA ASN B 4 9.632 10.452 -11.216 1.00 0.00 H new ATOM 0 HB2 ASN B 4 8.601 12.044 -8.835 1.00 0.00 H new ATOM 0 HB3 ASN B 4 9.969 12.404 -9.869 1.00 0.00 H new ATOM 0 HD21 ASN B 4 6.386 14.098 -10.739 1.00 0.00 H new ATOM 0 HD22 ASN B 4 6.728 13.259 -9.222 1.00 0.00 H new ATOM 1156 N LYS B 5 10.256 9.854 -8.580 1.00 0.00 N ATOM 1157 CA LYS B 5 10.645 8.934 -7.476 1.00 0.00 C ATOM 1158 C LYS B 5 9.574 8.924 -6.394 1.00 0.00 C ATOM 1159 O LYS B 5 9.267 7.903 -5.813 1.00 0.00 O ATOM 1160 CB LYS B 5 11.932 9.527 -6.911 1.00 0.00 C ATOM 1161 CG LYS B 5 12.877 9.943 -8.040 1.00 0.00 C ATOM 1162 CD LYS B 5 14.141 9.095 -7.969 1.00 0.00 C ATOM 1163 CE LYS B 5 15.314 9.963 -7.505 1.00 0.00 C ATOM 1164 NZ LYS B 5 14.988 10.346 -6.101 1.00 0.00 N ATOM 0 H LYS B 5 10.864 10.664 -8.697 1.00 0.00 H new ATOM 0 HA LYS B 5 10.769 7.909 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS B 5 11.698 10.391 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS B 5 12.424 8.796 -6.269 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.390 9.812 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS B 5 13.128 11.000 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.995 8.263 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS B 5 14.358 8.664 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS B 5 16.254 9.413 -7.555 1.00 0.00 H new ATOM 0 HE3 LYS B 5 15.426 10.844 -8.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 15.854 10.654 -5.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 14.298 11.124 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 14.584 9.527 -5.603 1.00 0.00 H new ATOM 1178 N LYS B 6 9.019 10.062 -6.112 1.00 0.00 N ATOM 1179 CA LYS B 6 7.976 10.136 -5.056 1.00 0.00 C ATOM 1180 C LYS B 6 6.659 9.611 -5.596 1.00 0.00 C ATOM 1181 O LYS B 6 6.045 8.735 -5.019 1.00 0.00 O ATOM 1182 CB LYS B 6 7.860 11.621 -4.697 1.00 0.00 C ATOM 1183 CG LYS B 6 9.247 12.264 -4.684 1.00 0.00 C ATOM 1184 CD LYS B 6 9.428 13.050 -3.387 1.00 0.00 C ATOM 1185 CE LYS B 6 10.909 13.070 -3.014 1.00 0.00 C ATOM 1186 NZ LYS B 6 10.945 12.737 -1.563 1.00 0.00 N ATOM 0 H LYS B 6 9.241 10.948 -6.567 1.00 0.00 H new ATOM 0 HA LYS B 6 8.230 9.535 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS B 6 7.221 12.130 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS B 6 7.389 11.732 -3.720 1.00 0.00 H new ATOM 0 HG2 LYS B 6 10.017 11.497 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS B 6 9.362 12.926 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS B 6 9.058 14.068 -3.510 1.00 0.00 H new ATOM 0 HD3 LYS B 6 8.845 12.594 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS B 6 11.473 12.344 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS B 6 11.351 14.048 -3.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 11.900 12.417 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 10.700 13.581 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 10.260 11.980 -1.363 1.00 0.00 H new ATOM 1200 N GLN B 7 6.219 10.124 -6.702 1.00 0.00 N ATOM 1201 CA GLN B 7 4.947 9.631 -7.267 1.00 0.00 C ATOM 1202 C GLN B 7 5.008 8.110 -7.398 1.00 0.00 C ATOM 1203 O GLN B 7 4.141 7.419 -6.929 1.00 0.00 O ATOM 1204 CB GLN B 7 4.833 10.282 -8.641 1.00 0.00 C ATOM 1205 CG GLN B 7 4.667 11.792 -8.484 1.00 0.00 C ATOM 1206 CD GLN B 7 3.178 12.137 -8.416 1.00 0.00 C ATOM 1207 OE1 GLN B 7 2.506 12.178 -9.427 1.00 0.00 O ATOM 1208 NE2 GLN B 7 2.630 12.386 -7.258 1.00 0.00 N ATOM 0 H GLN B 7 6.683 10.859 -7.236 1.00 0.00 H new ATOM 0 HA GLN B 7 4.089 9.874 -6.640 1.00 0.00 H new ATOM 0 HB2 GLN B 7 5.722 10.064 -9.232 1.00 0.00 H new ATOM 0 HB3 GLN B 7 3.982 9.867 -9.181 1.00 0.00 H new ATOM 0 HG2 GLN B 7 5.172 12.132 -7.580 1.00 0.00 H new ATOM 0 HG3 GLN B 7 5.133 12.309 -9.323 1.00 0.00 H new ATOM 0 HE21 GLN B 7 3.194 12.352 -6.409 1.00 0.00 H new ATOM 0 HE22 GLN B 7 1.638 12.615 -7.202 1.00 0.00 H new ATOM 1217 N LEU B 8 6.042 7.589 -8.012 1.00 0.00 N ATOM 1218 CA LEU B 8 6.161 6.109 -8.167 1.00 0.00 C ATOM 1219 C LEU B 8 5.965 5.436 -6.816 1.00 0.00 C ATOM 1220 O LEU B 8 5.156 4.541 -6.667 1.00 0.00 O ATOM 1221 CB LEU B 8 7.582 5.874 -8.703 1.00 0.00 C ATOM 1222 CG LEU B 8 8.133 4.535 -8.192 1.00 0.00 C ATOM 1223 CD1 LEU B 8 7.100 3.420 -8.417 1.00 0.00 C ATOM 1224 CD2 LEU B 8 9.423 4.198 -8.944 1.00 0.00 C ATOM 0 H LEU B 8 6.810 8.128 -8.413 1.00 0.00 H new ATOM 0 HA LEU B 8 5.411 5.694 -8.840 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.571 5.878 -9.793 1.00 0.00 H new ATOM 0 HB3 LEU B 8 8.235 6.687 -8.388 1.00 0.00 H new ATOM 0 HG LEU B 8 8.340 4.616 -7.125 1.00 0.00 H new ATOM 0 HD11 LEU B 8 7.500 2.474 -8.051 1.00 0.00 H new ATOM 0 HD12 LEU B 8 6.183 3.659 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU B 8 6.883 3.335 -9.482 1.00 0.00 H new ATOM 0 HD21 LEU B 8 9.817 3.248 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU B 8 9.213 4.122 -10.011 1.00 0.00 H new ATOM 0 HD23 LEU B 8 10.159 4.984 -8.774 1.00 0.00 H new ATOM 1236 N ALA B 9 6.687 5.865 -5.824 1.00 0.00 N ATOM 1237 CA ALA B 9 6.509 5.239 -4.485 1.00 0.00 C ATOM 1238 C ALA B 9 5.103 5.574 -3.988 1.00 0.00 C ATOM 1239 O ALA B 9 4.501 4.838 -3.232 1.00 0.00 O ATOM 1240 CB ALA B 9 7.579 5.857 -3.586 1.00 0.00 C ATOM 0 H ALA B 9 7.382 6.609 -5.877 1.00 0.00 H new ATOM 0 HA ALA B 9 6.613 4.154 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA B 9 7.500 5.436 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA B 9 8.566 5.640 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA B 9 7.435 6.936 -3.538 1.00 0.00 H new ATOM 1246 N ASP B 10 4.572 6.679 -4.439 1.00 0.00 N ATOM 1247 CA ASP B 10 3.191 7.076 -4.035 1.00 0.00 C ATOM 1248 C ASP B 10 2.174 6.225 -4.802 1.00 0.00 C ATOM 1249 O ASP B 10 1.245 5.690 -4.233 1.00 0.00 O ATOM 1250 CB ASP B 10 3.066 8.551 -4.422 1.00 0.00 C ATOM 1251 CG ASP B 10 3.937 9.396 -3.492 1.00 0.00 C ATOM 1252 OD1 ASP B 10 4.132 8.985 -2.359 1.00 0.00 O ATOM 1253 OD2 ASP B 10 4.396 10.440 -3.927 1.00 0.00 O ATOM 0 H ASP B 10 5.038 7.328 -5.074 1.00 0.00 H new ATOM 0 HA ASP B 10 3.004 6.928 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP B 10 3.375 8.694 -5.457 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.026 8.870 -4.353 1.00 0.00 H new ATOM 1258 N ILE B 11 2.358 6.074 -6.088 1.00 0.00 N ATOM 1259 CA ILE B 11 1.418 5.229 -6.878 1.00 0.00 C ATOM 1260 C ILE B 11 1.235 3.916 -6.155 1.00 0.00 C ATOM 1261 O ILE B 11 0.143 3.493 -5.845 1.00 0.00 O ATOM 1262 CB ILE B 11 2.118 4.920 -8.204 1.00 0.00 C ATOM 1263 CG1 ILE B 11 2.727 6.192 -8.790 1.00 0.00 C ATOM 1264 CG2 ILE B 11 1.118 4.283 -9.172 1.00 0.00 C ATOM 1265 CD1 ILE B 11 2.748 6.164 -10.324 1.00 0.00 C ATOM 0 H ILE B 11 3.116 6.498 -6.622 1.00 0.00 H new ATOM 0 HA ILE B 11 0.460 5.729 -7.019 1.00 0.00 H new ATOM 0 HB ILE B 11 2.931 4.214 -8.033 1.00 0.00 H new ATOM 0 HG12 ILE B 11 2.157 7.057 -8.451 1.00 0.00 H new ATOM 0 HG13 ILE B 11 3.743 6.313 -8.415 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.616 4.063 -10.116 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.732 3.359 -8.741 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.293 4.973 -9.349 1.00 0.00 H new ATOM 0 HD11 ILE B 11 3.189 7.088 -10.699 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.340 5.315 -10.664 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.729 6.070 -10.700 1.00 0.00 H new ATOM 1277 N PHE B 12 2.325 3.254 -5.925 1.00 0.00 N ATOM 1278 CA PHE B 12 2.267 1.940 -5.270 1.00 0.00 C ATOM 1279 C PHE B 12 2.180 2.120 -3.754 1.00 0.00 C ATOM 1280 O PHE B 12 2.199 1.165 -3.002 1.00 0.00 O ATOM 1281 CB PHE B 12 3.572 1.242 -5.664 1.00 0.00 C ATOM 1282 CG PHE B 12 3.833 1.260 -7.178 1.00 0.00 C ATOM 1283 CD1 PHE B 12 3.017 1.953 -8.100 1.00 0.00 C ATOM 1284 CD2 PHE B 12 4.934 0.553 -7.654 1.00 0.00 C ATOM 1285 CE1 PHE B 12 3.325 1.925 -9.468 1.00 0.00 C ATOM 1286 CE2 PHE B 12 5.239 0.525 -9.014 1.00 0.00 C ATOM 1287 CZ PHE B 12 4.437 1.211 -9.925 1.00 0.00 C ATOM 0 H PHE B 12 3.262 3.576 -6.168 1.00 0.00 H new ATOM 0 HA PHE B 12 1.395 1.359 -5.571 1.00 0.00 H new ATOM 0 HB2 PHE B 12 4.404 1.725 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE B 12 3.543 0.209 -5.319 1.00 0.00 H new ATOM 0 HD1 PHE B 12 2.156 2.504 -7.751 1.00 0.00 H new ATOM 0 HD2 PHE B 12 5.562 0.017 -6.958 1.00 0.00 H new ATOM 0 HE1 PHE B 12 2.701 2.457 -10.171 1.00 0.00 H new ATOM 0 HE2 PHE B 12 6.098 -0.029 -9.363 1.00 0.00 H new ATOM 0 HZ PHE B 12 4.673 1.191 -10.979 1.00 0.00 H new ATOM 1297 N GLY B 13 2.083 3.339 -3.296 1.00 0.00 N ATOM 1298 CA GLY B 13 1.993 3.577 -1.830 1.00 0.00 C ATOM 1299 C GLY B 13 3.218 2.970 -1.160 1.00 0.00 C ATOM 1300 O GLY B 13 3.240 2.731 0.031 1.00 0.00 O ATOM 0 H GLY B 13 2.062 4.179 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.940 4.646 -1.623 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.083 3.130 -1.430 1.00 0.00 H new ATOM 1304 N ALA B 14 4.242 2.718 -1.924 1.00 0.00 N ATOM 1305 CA ALA B 14 5.475 2.126 -1.344 1.00 0.00 C ATOM 1306 C ALA B 14 6.332 3.220 -0.723 1.00 0.00 C ATOM 1307 O ALA B 14 5.936 4.365 -0.636 1.00 0.00 O ATOM 1308 CB ALA B 14 6.222 1.513 -2.530 1.00 0.00 C ATOM 0 H ALA B 14 4.277 2.897 -2.927 1.00 0.00 H new ATOM 0 HA ALA B 14 5.249 1.393 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA B 14 7.147 1.055 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.597 0.754 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA B 14 6.455 2.292 -3.255 1.00 0.00 H new ATOM 1314 N SER B 15 7.524 2.882 -0.336 1.00 0.00 N ATOM 1315 CA SER B 15 8.437 3.901 0.226 1.00 0.00 C ATOM 1316 C SER B 15 9.477 4.199 -0.825 1.00 0.00 C ATOM 1317 O SER B 15 10.027 3.310 -1.436 1.00 0.00 O ATOM 1318 CB SER B 15 9.075 3.273 1.458 1.00 0.00 C ATOM 1319 OG SER B 15 9.875 2.167 1.064 1.00 0.00 O ATOM 0 H SER B 15 7.906 1.937 -0.386 1.00 0.00 H new ATOM 0 HA SER B 15 7.933 4.828 0.501 1.00 0.00 H new ATOM 0 HB2 SER B 15 9.686 4.010 1.980 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.303 2.947 2.155 1.00 0.00 H new ATOM 0 HG SER B 15 9.296 1.411 0.832 1.00 0.00 H new ATOM 1325 N ILE B 16 9.742 5.432 -1.065 1.00 0.00 N ATOM 1326 CA ILE B 16 10.745 5.748 -2.104 1.00 0.00 C ATOM 1327 C ILE B 16 12.000 4.948 -1.815 1.00 0.00 C ATOM 1328 O ILE B 16 12.764 4.608 -2.696 1.00 0.00 O ATOM 1329 CB ILE B 16 11.003 7.236 -1.987 1.00 0.00 C ATOM 1330 CG1 ILE B 16 9.652 7.959 -1.891 1.00 0.00 C ATOM 1331 CG2 ILE B 16 11.782 7.679 -3.223 1.00 0.00 C ATOM 1332 CD1 ILE B 16 9.752 9.364 -2.465 1.00 0.00 C ATOM 0 H ILE B 16 9.317 6.233 -0.597 1.00 0.00 H new ATOM 0 HA ILE B 16 10.413 5.498 -3.112 1.00 0.00 H new ATOM 0 HB ILE B 16 11.586 7.475 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE B 16 8.892 7.394 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE B 16 9.333 8.008 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE B 16 11.981 8.749 -3.163 1.00 0.00 H new ATOM 0 HG22 ILE B 16 12.726 7.136 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE B 16 11.196 7.468 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE B 16 8.784 9.859 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE B 16 10.496 9.933 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE B 16 10.048 9.309 -3.513 1.00 0.00 H new ATOM 1344 N ARG B 17 12.185 4.609 -0.577 1.00 0.00 N ATOM 1345 CA ARG B 17 13.362 3.781 -0.208 1.00 0.00 C ATOM 1346 C ARG B 17 13.214 2.469 -0.947 1.00 0.00 C ATOM 1347 O ARG B 17 14.161 1.894 -1.448 1.00 0.00 O ATOM 1348 CB ARG B 17 13.274 3.508 1.296 1.00 0.00 C ATOM 1349 CG ARG B 17 12.544 4.621 2.036 1.00 0.00 C ATOM 1350 CD ARG B 17 13.055 5.985 1.565 1.00 0.00 C ATOM 1351 NE ARG B 17 12.888 6.880 2.742 1.00 0.00 N ATOM 1352 CZ ARG B 17 13.857 7.008 3.606 1.00 0.00 C ATOM 1353 NH1 ARG B 17 14.800 6.107 3.665 1.00 0.00 N ATOM 1354 NH2 ARG B 17 13.885 8.036 4.410 1.00 0.00 N ATOM 0 H ARG B 17 11.574 4.868 0.197 1.00 0.00 H new ATOM 0 HA ARG B 17 14.306 4.267 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG B 17 12.758 2.562 1.463 1.00 0.00 H new ATOM 0 HB3 ARG B 17 14.279 3.400 1.704 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.471 4.544 1.859 1.00 0.00 H new ATOM 0 HG3 ARG B 17 12.698 4.517 3.110 1.00 0.00 H new ATOM 0 HD2 ARG B 17 14.098 5.931 1.254 1.00 0.00 H new ATOM 0 HD3 ARG B 17 12.486 6.347 0.709 1.00 0.00 H new ATOM 0 HE ARG B 17 12.016 7.393 2.873 1.00 0.00 H new ATOM 0 HH11 ARG B 17 14.778 5.304 3.036 1.00 0.00 H new ATOM 0 HH12 ARG B 17 15.558 6.206 4.340 1.00 0.00 H new ATOM 0 HH21 ARG B 17 13.149 8.740 4.363 1.00 0.00 H new ATOM 0 HH22 ARG B 17 14.643 8.135 5.085 1.00 0.00 H new ATOM 1368 N THR B 18 11.998 2.014 -1.033 1.00 0.00 N ATOM 1369 CA THR B 18 11.719 0.763 -1.752 1.00 0.00 C ATOM 1370 C THR B 18 11.889 1.047 -3.237 1.00 0.00 C ATOM 1371 O THR B 18 12.376 0.230 -3.992 1.00 0.00 O ATOM 1372 CB THR B 18 10.269 0.425 -1.399 1.00 0.00 C ATOM 1373 OG1 THR B 18 10.175 0.140 -0.011 1.00 0.00 O ATOM 1374 CG2 THR B 18 9.787 -0.784 -2.200 1.00 0.00 C ATOM 0 H THR B 18 11.180 2.469 -0.627 1.00 0.00 H new ATOM 0 HA THR B 18 12.376 -0.067 -1.492 1.00 0.00 H new ATOM 0 HB THR B 18 9.641 1.281 -1.646 1.00 0.00 H new ATOM 0 HG1 THR B 18 10.648 0.831 0.498 1.00 0.00 H new ATOM 0 HG21 THR B 18 8.754 -1.008 -1.934 1.00 0.00 H new ATOM 0 HG22 THR B 18 9.848 -0.562 -3.265 1.00 0.00 H new ATOM 0 HG23 THR B 18 10.415 -1.645 -1.972 1.00 0.00 H new ATOM 1382 N ILE B 19 11.518 2.234 -3.650 1.00 0.00 N ATOM 1383 CA ILE B 19 11.692 2.604 -5.075 1.00 0.00 C ATOM 1384 C ILE B 19 13.180 2.607 -5.398 1.00 0.00 C ATOM 1385 O ILE B 19 13.611 2.088 -6.408 1.00 0.00 O ATOM 1386 CB ILE B 19 11.126 4.014 -5.214 1.00 0.00 C ATOM 1387 CG1 ILE B 19 9.649 4.010 -4.837 1.00 0.00 C ATOM 1388 CG2 ILE B 19 11.274 4.471 -6.665 1.00 0.00 C ATOM 1389 CD1 ILE B 19 8.931 2.941 -5.654 1.00 0.00 C ATOM 0 H ILE B 19 11.104 2.955 -3.059 1.00 0.00 H new ATOM 0 HA ILE B 19 11.191 1.910 -5.750 1.00 0.00 H new ATOM 0 HB ILE B 19 11.667 4.692 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE B 19 9.533 3.811 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE B 19 9.209 4.989 -5.028 1.00 0.00 H new ATOM 0 HG21 ILE B 19 10.871 5.478 -6.772 1.00 0.00 H new ATOM 0 HG22 ILE B 19 12.329 4.470 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE B 19 10.728 3.791 -7.318 1.00 0.00 H new ATOM 0 HD11 ILE B 19 7.873 2.931 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE B 19 9.038 3.161 -6.716 1.00 0.00 H new ATOM 0 HD13 ILE B 19 9.367 1.965 -5.440 1.00 0.00 H new ATOM 1401 N GLN B 20 13.972 3.167 -4.521 1.00 0.00 N ATOM 1402 CA GLN B 20 15.436 3.186 -4.745 1.00 0.00 C ATOM 1403 C GLN B 20 15.906 1.748 -4.811 1.00 0.00 C ATOM 1404 O GLN B 20 16.906 1.429 -5.423 1.00 0.00 O ATOM 1405 CB GLN B 20 16.026 3.894 -3.527 1.00 0.00 C ATOM 1406 CG GLN B 20 15.319 5.233 -3.317 1.00 0.00 C ATOM 1407 CD GLN B 20 16.361 6.350 -3.247 1.00 0.00 C ATOM 1408 OE1 GLN B 20 17.542 6.104 -3.390 1.00 0.00 O ATOM 1409 NE2 GLN B 20 15.972 7.577 -3.030 1.00 0.00 N ATOM 0 H GLN B 20 13.660 3.612 -3.658 1.00 0.00 H new ATOM 0 HA GLN B 20 15.732 3.692 -5.664 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.913 3.269 -2.641 1.00 0.00 H new ATOM 0 HB3 GLN B 20 17.095 4.054 -3.670 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.622 5.421 -4.134 1.00 0.00 H new ATOM 0 HG3 GLN B 20 14.734 5.208 -2.398 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.980 7.784 -2.910 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.660 8.329 -2.981 1.00 0.00 H new ATOM 1418 N ASN B 21 15.163 0.868 -4.199 1.00 0.00 N ATOM 1419 CA ASN B 21 15.545 -0.558 -4.245 1.00 0.00 C ATOM 1420 C ASN B 21 15.055 -1.143 -5.558 1.00 0.00 C ATOM 1421 O ASN B 21 15.572 -2.121 -6.060 1.00 0.00 O ATOM 1422 CB ASN B 21 14.838 -1.211 -3.060 1.00 0.00 C ATOM 1423 CG ASN B 21 15.225 -2.690 -2.987 1.00 0.00 C ATOM 1424 OD1 ASN B 21 14.412 -3.527 -2.654 1.00 0.00 O ATOM 1425 ND2 ASN B 21 16.443 -3.047 -3.290 1.00 0.00 N ATOM 0 H ASN B 21 14.314 1.079 -3.674 1.00 0.00 H new ATOM 0 HA ASN B 21 16.622 -0.715 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN B 21 15.114 -0.706 -2.135 1.00 0.00 H new ATOM 0 HB3 ASN B 21 13.758 -1.112 -3.167 1.00 0.00 H new ATOM 0 HD21 ASN B 21 16.712 -4.030 -3.247 1.00 0.00 H new ATOM 0 HD22 ASN B 21 17.126 -2.343 -3.570 1.00 0.00 H new ATOM 1432 N TRP B 22 14.061 -0.524 -6.122 1.00 0.00 N ATOM 1433 CA TRP B 22 13.516 -0.996 -7.414 1.00 0.00 C ATOM 1434 C TRP B 22 14.417 -0.529 -8.548 1.00 0.00 C ATOM 1435 O TRP B 22 14.848 -1.302 -9.380 1.00 0.00 O ATOM 1436 CB TRP B 22 12.167 -0.315 -7.531 1.00 0.00 C ATOM 1437 CG TRP B 22 11.229 -0.848 -6.506 1.00 0.00 C ATOM 1438 CD1 TRP B 22 11.514 -1.798 -5.586 1.00 0.00 C ATOM 1439 CD2 TRP B 22 9.849 -0.481 -6.305 1.00 0.00 C ATOM 1440 NE1 TRP B 22 10.378 -2.034 -4.830 1.00 0.00 N ATOM 1441 CE2 TRP B 22 9.323 -1.241 -5.238 1.00 0.00 C ATOM 1442 CE3 TRP B 22 9.016 0.436 -6.947 1.00 0.00 C ATOM 1443 CZ2 TRP B 22 7.999 -1.093 -4.825 1.00 0.00 C ATOM 1444 CZ3 TRP B 22 7.691 0.591 -6.540 1.00 0.00 C ATOM 1445 CH2 TRP B 22 7.180 -0.171 -5.478 1.00 0.00 C ATOM 0 H TRP B 22 13.599 0.299 -5.736 1.00 0.00 H new ATOM 0 HA TRP B 22 13.445 -2.082 -7.465 1.00 0.00 H new ATOM 0 HB2 TRP B 22 12.283 0.761 -7.403 1.00 0.00 H new ATOM 0 HB3 TRP B 22 11.756 -0.475 -8.528 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.467 -2.290 -5.462 1.00 0.00 H new ATOM 0 HE1 TRP B 22 10.327 -2.709 -4.067 1.00 0.00 H new ATOM 0 HE3 TRP B 22 9.400 1.029 -7.764 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.612 -1.685 -4.009 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 7.054 1.302 -7.045 1.00 0.00 H new ATOM 0 HH2 TRP B 22 6.154 -0.044 -5.166 1.00 0.00 H new ATOM 1456 N GLN B 23 14.703 0.744 -8.585 1.00 0.00 N ATOM 1457 CA GLN B 23 15.574 1.273 -9.663 1.00 0.00 C ATOM 1458 C GLN B 23 16.891 0.503 -9.670 1.00 0.00 C ATOM 1459 O GLN B 23 17.605 0.490 -10.651 1.00 0.00 O ATOM 1460 CB GLN B 23 15.800 2.748 -9.324 1.00 0.00 C ATOM 1461 CG GLN B 23 16.102 2.896 -7.833 1.00 0.00 C ATOM 1462 CD GLN B 23 17.047 4.079 -7.615 1.00 0.00 C ATOM 1463 OE1 GLN B 23 18.184 3.900 -7.225 1.00 0.00 O ATOM 1464 NE2 GLN B 23 16.620 5.290 -7.849 1.00 0.00 N ATOM 0 H GLN B 23 14.370 1.437 -7.915 1.00 0.00 H new ATOM 0 HA GLN B 23 15.130 1.165 -10.652 1.00 0.00 H new ATOM 0 HB2 GLN B 23 16.628 3.143 -9.913 1.00 0.00 H new ATOM 0 HB3 GLN B 23 14.916 3.330 -9.585 1.00 0.00 H new ATOM 0 HG2 GLN B 23 15.177 3.050 -7.278 1.00 0.00 H new ATOM 0 HG3 GLN B 23 16.555 1.981 -7.451 1.00 0.00 H new ATOM 0 HE21 GLN B 23 15.666 5.440 -8.176 1.00 0.00 H new ATOM 0 HE22 GLN B 23 17.241 6.086 -7.705 1.00 0.00 H new ATOM 1473 N GLU B 24 17.220 -0.147 -8.583 1.00 0.00 N ATOM 1474 CA GLU B 24 18.493 -0.916 -8.554 1.00 0.00 C ATOM 1475 C GLU B 24 18.204 -2.415 -8.589 1.00 0.00 C ATOM 1476 O GLU B 24 19.083 -3.233 -8.399 1.00 0.00 O ATOM 1477 CB GLU B 24 19.171 -0.522 -7.243 1.00 0.00 C ATOM 1478 CG GLU B 24 19.783 0.873 -7.387 1.00 0.00 C ATOM 1479 CD GLU B 24 21.305 0.780 -7.265 1.00 0.00 C ATOM 1480 OE1 GLU B 24 21.781 -0.238 -6.790 1.00 0.00 O ATOM 1481 OE2 GLU B 24 21.969 1.729 -7.648 1.00 0.00 O ATOM 0 H GLU B 24 16.668 -0.177 -7.726 1.00 0.00 H new ATOM 0 HA GLU B 24 19.127 -0.698 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU B 24 18.446 -0.531 -6.429 1.00 0.00 H new ATOM 0 HB3 GLU B 24 19.945 -1.246 -6.989 1.00 0.00 H new ATOM 0 HG2 GLU B 24 19.511 1.303 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU B 24 19.386 1.536 -6.619 1.00 0.00 H new ATOM 1488 N GLN B 25 16.981 -2.782 -8.841 1.00 0.00 N ATOM 1489 CA GLN B 25 16.629 -4.221 -8.901 1.00 0.00 C ATOM 1490 C GLN B 25 16.326 -4.600 -10.357 1.00 0.00 C ATOM 1491 O GLN B 25 16.259 -5.762 -10.708 1.00 0.00 O ATOM 1492 CB GLN B 25 15.408 -4.340 -7.972 1.00 0.00 C ATOM 1493 CG GLN B 25 14.255 -5.056 -8.667 1.00 0.00 C ATOM 1494 CD GLN B 25 14.502 -6.566 -8.650 1.00 0.00 C ATOM 1495 OE1 GLN B 25 14.380 -7.225 -9.664 1.00 0.00 O ATOM 1496 NE2 GLN B 25 14.846 -7.147 -7.533 1.00 0.00 N ATOM 0 H GLN B 25 16.206 -2.140 -9.009 1.00 0.00 H new ATOM 0 HA GLN B 25 17.420 -4.899 -8.581 1.00 0.00 H new ATOM 0 HB2 GLN B 25 15.686 -4.884 -7.069 1.00 0.00 H new ATOM 0 HB3 GLN B 25 15.087 -3.346 -7.659 1.00 0.00 H new ATOM 0 HG2 GLN B 25 13.315 -4.826 -8.165 1.00 0.00 H new ATOM 0 HG3 GLN B 25 14.162 -4.704 -9.694 1.00 0.00 H new ATOM 0 HE21 GLN B 25 14.949 -6.595 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN B 25 15.012 -8.153 -7.512 1.00 0.00 H new ATOM 1505 N GLY B 26 16.141 -3.622 -11.203 1.00 0.00 N ATOM 1506 CA GLY B 26 15.841 -3.911 -12.635 1.00 0.00 C ATOM 1507 C GLY B 26 14.482 -3.314 -13.003 1.00 0.00 C ATOM 1508 O GLY B 26 13.775 -3.831 -13.844 1.00 0.00 O ATOM 0 H GLY B 26 16.185 -2.632 -10.963 1.00 0.00 H new ATOM 0 HA2 GLY B 26 16.619 -3.491 -13.272 1.00 0.00 H new ATOM 0 HA3 GLY B 26 15.835 -4.987 -12.806 1.00 0.00 H new ATOM 1512 N MET B 27 14.108 -2.228 -12.377 1.00 0.00 N ATOM 1513 CA MET B 27 12.784 -1.605 -12.696 1.00 0.00 C ATOM 1514 C MET B 27 12.872 -0.746 -13.957 1.00 0.00 C ATOM 1515 O MET B 27 13.867 -0.094 -14.201 1.00 0.00 O ATOM 1516 CB MET B 27 12.431 -0.741 -11.488 1.00 0.00 C ATOM 1517 CG MET B 27 10.960 -0.335 -11.590 1.00 0.00 C ATOM 1518 SD MET B 27 10.534 0.784 -10.239 1.00 0.00 S ATOM 1519 CE MET B 27 11.495 2.198 -10.818 1.00 0.00 C ATOM 0 H MET B 27 14.656 -1.747 -11.664 1.00 0.00 H new ATOM 0 HA MET B 27 12.026 -2.365 -12.887 1.00 0.00 H new ATOM 0 HB2 MET B 27 12.608 -1.292 -10.564 1.00 0.00 H new ATOM 0 HB3 MET B 27 13.066 0.144 -11.458 1.00 0.00 H new ATOM 0 HG2 MET B 27 10.774 0.151 -12.548 1.00 0.00 H new ATOM 0 HG3 MET B 27 10.326 -1.221 -11.553 1.00 0.00 H new ATOM 0 HE1 MET B 27 11.191 3.092 -10.273 1.00 0.00 H new ATOM 0 HE2 MET B 27 12.555 2.012 -10.647 1.00 0.00 H new ATOM 0 HE3 MET B 27 11.320 2.345 -11.884 1.00 0.00 H new ATOM 1529 N PRO B 28 11.812 -0.784 -14.721 1.00 0.00 N ATOM 1530 CA PRO B 28 11.749 -0.010 -15.983 1.00 0.00 C ATOM 1531 C PRO B 28 11.569 1.492 -15.726 1.00 0.00 C ATOM 1532 O PRO B 28 10.591 2.089 -16.147 1.00 0.00 O ATOM 1533 CB PRO B 28 10.520 -0.575 -16.690 1.00 0.00 C ATOM 1534 CG PRO B 28 9.662 -1.122 -15.596 1.00 0.00 C ATOM 1535 CD PRO B 28 10.583 -1.553 -14.485 1.00 0.00 C ATOM 0 HA PRO B 28 12.667 -0.100 -16.563 1.00 0.00 H new ATOM 0 HB2 PRO B 28 9.997 0.199 -17.252 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.797 -1.353 -17.401 1.00 0.00 H new ATOM 0 HG2 PRO B 28 8.960 -0.367 -15.243 1.00 0.00 H new ATOM 0 HG3 PRO B 28 9.071 -1.964 -15.955 1.00 0.00 H new ATOM 0 HD2 PRO B 28 10.157 -1.333 -13.506 1.00 0.00 H new ATOM 0 HD3 PRO B 28 10.772 -2.626 -14.517 1.00 0.00 H new ATOM 1543 N VAL B 29 12.504 2.128 -15.075 1.00 0.00 N ATOM 1544 CA VAL B 29 12.352 3.588 -14.867 1.00 0.00 C ATOM 1545 C VAL B 29 12.282 4.252 -16.244 1.00 0.00 C ATOM 1546 O VAL B 29 12.799 3.735 -17.213 1.00 0.00 O ATOM 1547 CB VAL B 29 13.597 4.050 -14.125 1.00 0.00 C ATOM 1548 CG1 VAL B 29 13.834 3.239 -12.860 1.00 0.00 C ATOM 1549 CG2 VAL B 29 14.767 3.849 -15.029 1.00 0.00 C ATOM 0 H VAL B 29 13.348 1.708 -14.687 1.00 0.00 H new ATOM 0 HA VAL B 29 11.455 3.841 -14.301 1.00 0.00 H new ATOM 0 HB VAL B 29 13.466 5.095 -13.843 1.00 0.00 H new ATOM 0 HG11 VAL B 29 14.732 3.600 -12.359 1.00 0.00 H new ATOM 0 HG12 VAL B 29 12.979 3.347 -12.193 1.00 0.00 H new ATOM 0 HG13 VAL B 29 13.961 2.188 -13.120 1.00 0.00 H new ATOM 0 HG21 VAL B 29 15.677 4.172 -14.524 1.00 0.00 H new ATOM 0 HG22 VAL B 29 14.850 2.793 -15.287 1.00 0.00 H new ATOM 0 HG23 VAL B 29 14.629 4.435 -15.938 1.00 0.00 H new ATOM 1559 N LEU B 30 11.657 5.382 -16.345 1.00 0.00 N ATOM 1560 CA LEU B 30 11.566 6.063 -17.665 1.00 0.00 C ATOM 1561 C LEU B 30 12.966 6.350 -18.208 1.00 0.00 C ATOM 1562 O LEU B 30 13.405 5.754 -19.170 1.00 0.00 O ATOM 1563 CB LEU B 30 10.829 7.365 -17.352 1.00 0.00 C ATOM 1564 CG LEU B 30 9.392 7.367 -17.906 1.00 0.00 C ATOM 1565 CD1 LEU B 30 9.369 8.114 -19.235 1.00 0.00 C ATOM 1566 CD2 LEU B 30 8.859 5.941 -18.109 1.00 0.00 C ATOM 0 H LEU B 30 11.203 5.868 -15.572 1.00 0.00 H new ATOM 0 HA LEU B 30 11.058 5.465 -18.422 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.801 7.514 -16.273 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.381 8.204 -17.775 1.00 0.00 H new ATOM 0 HG LEU B 30 8.748 7.863 -17.180 1.00 0.00 H new ATOM 0 HD11 LEU B 30 8.354 8.119 -19.632 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.703 9.140 -19.082 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.033 7.618 -19.943 1.00 0.00 H new ATOM 0 HD21 LEU B 30 7.843 5.985 -18.501 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.498 5.411 -18.815 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.858 5.414 -17.155 1.00 0.00 H new ATOM 1697 N LEU B 40 12.979 9.037 -14.325 1.00 0.00 N ATOM 1698 CA LEU B 40 11.506 8.982 -14.119 1.00 0.00 C ATOM 1699 C LEU B 40 11.099 7.520 -13.990 1.00 0.00 C ATOM 1700 O LEU B 40 11.935 6.645 -13.891 1.00 0.00 O ATOM 1701 CB LEU B 40 10.885 9.608 -15.371 1.00 0.00 C ATOM 1702 CG LEU B 40 10.406 11.025 -15.066 1.00 0.00 C ATOM 1703 CD1 LEU B 40 9.172 10.965 -14.162 1.00 0.00 C ATOM 1704 CD2 LEU B 40 11.523 11.807 -14.371 1.00 0.00 C ATOM 0 HA LEU B 40 11.180 9.511 -13.223 1.00 0.00 H new ATOM 0 HB2 LEU B 40 11.617 9.629 -16.178 1.00 0.00 H new ATOM 0 HB3 LEU B 40 10.049 8.999 -15.715 1.00 0.00 H new ATOM 0 HG LEU B 40 10.144 11.528 -15.997 1.00 0.00 H new ATOM 0 HD11 LEU B 40 8.831 11.977 -13.945 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.378 10.415 -14.666 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.428 10.460 -13.230 1.00 0.00 H new ATOM 0 HD21 LEU B 40 11.179 12.818 -14.154 1.00 0.00 H new ATOM 0 HD22 LEU B 40 11.792 11.308 -13.440 1.00 0.00 H new ATOM 0 HD23 LEU B 40 12.395 11.853 -15.023 1.00 0.00 H new ATOM 1716 N TYR B 41 9.835 7.237 -13.982 1.00 0.00 N ATOM 1717 CA TYR B 41 9.409 5.819 -13.847 1.00 0.00 C ATOM 1718 C TYR B 41 8.104 5.572 -14.601 1.00 0.00 C ATOM 1719 O TYR B 41 7.088 6.162 -14.296 1.00 0.00 O ATOM 1720 CB TYR B 41 9.200 5.641 -12.348 1.00 0.00 C ATOM 1721 CG TYR B 41 10.485 5.955 -11.621 1.00 0.00 C ATOM 1722 CD1 TYR B 41 11.619 5.162 -11.830 1.00 0.00 C ATOM 1723 CD2 TYR B 41 10.542 7.029 -10.723 1.00 0.00 C ATOM 1724 CE1 TYR B 41 12.802 5.441 -11.141 1.00 0.00 C ATOM 1725 CE2 TYR B 41 11.726 7.299 -10.035 1.00 0.00 C ATOM 1726 CZ TYR B 41 12.855 6.504 -10.242 1.00 0.00 C ATOM 1727 OH TYR B 41 14.021 6.762 -9.555 1.00 0.00 O ATOM 0 H TYR B 41 9.080 7.918 -14.062 1.00 0.00 H new ATOM 0 HA TYR B 41 10.138 5.121 -14.260 1.00 0.00 H new ATOM 0 HB2 TYR B 41 8.403 6.298 -12.000 1.00 0.00 H new ATOM 0 HB3 TYR B 41 8.888 4.619 -12.132 1.00 0.00 H new ATOM 0 HD1 TYR B 41 11.580 4.335 -12.523 1.00 0.00 H new ATOM 0 HD2 TYR B 41 9.671 7.647 -10.563 1.00 0.00 H new ATOM 0 HE1 TYR B 41 13.678 4.831 -11.306 1.00 0.00 H new ATOM 0 HE2 TYR B 41 11.769 8.125 -9.341 1.00 0.00 H new ATOM 0 HH TYR B 41 14.702 7.091 -10.178 1.00 0.00 H new ATOM 1737 N ASP B 42 8.110 4.696 -15.573 1.00 0.00 N ATOM 1738 CA ASP B 42 6.841 4.427 -16.309 1.00 0.00 C ATOM 1739 C ASP B 42 5.788 3.947 -15.322 1.00 0.00 C ATOM 1740 O ASP B 42 5.620 2.764 -15.111 1.00 0.00 O ATOM 1741 CB ASP B 42 7.159 3.323 -17.309 1.00 0.00 C ATOM 1742 CG ASP B 42 7.079 3.869 -18.736 1.00 0.00 C ATOM 1743 OD1 ASP B 42 6.054 4.434 -19.077 1.00 0.00 O ATOM 1744 OD2 ASP B 42 8.046 3.711 -19.464 1.00 0.00 O ATOM 0 H ASP B 42 8.923 4.165 -15.884 1.00 0.00 H new ATOM 0 HA ASP B 42 6.461 5.317 -16.812 1.00 0.00 H new ATOM 0 HB2 ASP B 42 8.156 2.925 -17.119 1.00 0.00 H new ATOM 0 HB3 ASP B 42 6.458 2.498 -17.187 1.00 0.00 H new ATOM 1749 N SER B 43 5.094 4.865 -14.715 1.00 0.00 N ATOM 1750 CA SER B 43 4.044 4.506 -13.722 1.00 0.00 C ATOM 1751 C SER B 43 3.405 3.161 -14.046 1.00 0.00 C ATOM 1752 O SER B 43 3.105 2.384 -13.165 1.00 0.00 O ATOM 1753 CB SER B 43 3.009 5.615 -13.861 1.00 0.00 C ATOM 1754 OG SER B 43 2.148 5.601 -12.735 1.00 0.00 O ATOM 0 H SER B 43 5.211 5.867 -14.867 1.00 0.00 H new ATOM 0 HA SER B 43 4.452 4.416 -12.715 1.00 0.00 H new ATOM 0 HB2 SER B 43 3.505 6.582 -13.941 1.00 0.00 H new ATOM 0 HB3 SER B 43 2.432 5.476 -14.775 1.00 0.00 H new ATOM 0 HG SER B 43 1.951 4.674 -12.485 1.00 0.00 H new ATOM 1760 N ALA B 44 3.194 2.874 -15.296 1.00 0.00 N ATOM 1761 CA ALA B 44 2.561 1.568 -15.635 1.00 0.00 C ATOM 1762 C ALA B 44 3.627 0.496 -15.838 1.00 0.00 C ATOM 1763 O ALA B 44 3.505 -0.609 -15.355 1.00 0.00 O ATOM 1764 CB ALA B 44 1.762 1.806 -16.911 1.00 0.00 C ATOM 0 H ALA B 44 3.427 3.473 -16.088 1.00 0.00 H new ATOM 0 HA ALA B 44 1.914 1.212 -14.833 1.00 0.00 H new ATOM 0 HB1 ALA B 44 1.272 0.880 -17.212 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.009 2.573 -16.731 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.433 2.135 -17.704 1.00 0.00 H new ATOM 1770 N ALA B 45 4.691 0.810 -16.515 1.00 0.00 N ATOM 1771 CA ALA B 45 5.755 -0.210 -16.684 1.00 0.00 C ATOM 1772 C ALA B 45 6.373 -0.448 -15.314 1.00 0.00 C ATOM 1773 O ALA B 45 6.943 -1.483 -15.034 1.00 0.00 O ATOM 1774 CB ALA B 45 6.779 0.392 -17.643 1.00 0.00 C ATOM 0 H ALA B 45 4.869 1.714 -16.952 1.00 0.00 H new ATOM 0 HA ALA B 45 5.387 -1.157 -17.079 1.00 0.00 H new ATOM 0 HB1 ALA B 45 7.589 -0.320 -17.804 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.298 0.616 -18.595 1.00 0.00 H new ATOM 0 HB3 ALA B 45 7.182 1.310 -17.215 1.00 0.00 H new ATOM 1780 N VAL B 46 6.241 0.523 -14.452 1.00 0.00 N ATOM 1781 CA VAL B 46 6.789 0.394 -13.080 1.00 0.00 C ATOM 1782 C VAL B 46 5.993 -0.650 -12.301 1.00 0.00 C ATOM 1783 O VAL B 46 6.520 -1.319 -11.437 1.00 0.00 O ATOM 1784 CB VAL B 46 6.604 1.768 -12.434 1.00 0.00 C ATOM 1785 CG1 VAL B 46 7.110 1.726 -10.997 1.00 0.00 C ATOM 1786 CG2 VAL B 46 7.398 2.821 -13.197 1.00 0.00 C ATOM 0 H VAL B 46 5.771 1.408 -14.646 1.00 0.00 H new ATOM 0 HA VAL B 46 7.834 0.083 -13.088 1.00 0.00 H new ATOM 0 HB VAL B 46 5.545 2.023 -12.455 1.00 0.00 H new ATOM 0 HG11 VAL B 46 6.978 2.705 -10.536 1.00 0.00 H new ATOM 0 HG12 VAL B 46 6.547 0.981 -10.435 1.00 0.00 H new ATOM 0 HG13 VAL B 46 8.167 1.461 -10.991 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.257 3.794 -12.727 1.00 0.00 H new ATOM 0 HG22 VAL B 46 8.456 2.560 -13.182 1.00 0.00 H new ATOM 0 HG23 VAL B 46 7.049 2.863 -14.229 1.00 0.00 H new ATOM 1796 N ILE B 47 4.723 -0.799 -12.593 1.00 0.00 N ATOM 1797 CA ILE B 47 3.923 -1.820 -11.833 1.00 0.00 C ATOM 1798 C ILE B 47 4.001 -3.184 -12.492 1.00 0.00 C ATOM 1799 O ILE B 47 4.328 -4.156 -11.853 1.00 0.00 O ATOM 1800 CB ILE B 47 2.462 -1.372 -11.767 1.00 0.00 C ATOM 1801 CG1 ILE B 47 2.139 -0.309 -12.810 1.00 0.00 C ATOM 1802 CG2 ILE B 47 2.212 -0.812 -10.382 1.00 0.00 C ATOM 1803 CD1 ILE B 47 0.730 0.227 -12.579 1.00 0.00 C ATOM 0 H ILE B 47 4.214 -0.275 -13.305 1.00 0.00 H new ATOM 0 HA ILE B 47 4.339 -1.902 -10.829 1.00 0.00 H new ATOM 0 HB ILE B 47 1.822 -2.230 -11.974 1.00 0.00 H new ATOM 0 HG12 ILE B 47 2.862 0.504 -12.750 1.00 0.00 H new ATOM 0 HG13 ILE B 47 2.218 -0.733 -13.811 1.00 0.00 H new ATOM 0 HG21 ILE B 47 1.176 -0.483 -10.304 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.405 -1.584 -9.637 1.00 0.00 H new ATOM 0 HG23 ILE B 47 2.875 0.035 -10.207 1.00 0.00 H new ATOM 0 HD11 ILE B 47 0.503 0.987 -13.327 1.00 0.00 H new ATOM 0 HD12 ILE B 47 0.012 -0.589 -12.661 1.00 0.00 H new ATOM 0 HD13 ILE B 47 0.667 0.667 -11.584 1.00 0.00 H new ATOM 1815 N LYS B 48 3.700 -3.280 -13.753 1.00 0.00 N ATOM 1816 CA LYS B 48 3.769 -4.607 -14.409 1.00 0.00 C ATOM 1817 C LYS B 48 5.063 -5.297 -13.967 1.00 0.00 C ATOM 1818 O LYS B 48 5.141 -6.503 -13.820 1.00 0.00 O ATOM 1819 CB LYS B 48 3.778 -4.299 -15.907 1.00 0.00 C ATOM 1820 CG LYS B 48 4.307 -5.504 -16.686 1.00 0.00 C ATOM 1821 CD LYS B 48 4.274 -5.190 -18.183 1.00 0.00 C ATOM 1822 CE LYS B 48 5.412 -4.227 -18.530 1.00 0.00 C ATOM 1823 NZ LYS B 48 6.488 -5.092 -19.087 1.00 0.00 N ATOM 0 H LYS B 48 3.412 -2.506 -14.351 1.00 0.00 H new ATOM 0 HA LYS B 48 2.943 -5.271 -14.154 1.00 0.00 H new ATOM 0 HB2 LYS B 48 2.770 -4.053 -16.242 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.401 -3.427 -16.103 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.325 -5.736 -16.373 1.00 0.00 H new ATOM 0 HG3 LYS B 48 3.700 -6.384 -16.474 1.00 0.00 H new ATOM 0 HD2 LYS B 48 4.373 -6.109 -18.760 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.315 -4.747 -18.451 1.00 0.00 H new ATOM 0 HE2 LYS B 48 5.090 -3.480 -19.256 1.00 0.00 H new ATOM 0 HE3 LYS B 48 5.756 -3.687 -17.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 7.305 -4.504 -19.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 6.778 -5.789 -18.372 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 6.133 -5.588 -19.930 1.00 0.00 H new ATOM 1837 N TRP B 49 6.070 -4.503 -13.717 1.00 0.00 N ATOM 1838 CA TRP B 49 7.377 -5.040 -13.248 1.00 0.00 C ATOM 1839 C TRP B 49 7.360 -5.162 -11.718 1.00 0.00 C ATOM 1840 O TRP B 49 8.021 -6.005 -11.147 1.00 0.00 O ATOM 1841 CB TRP B 49 8.392 -3.997 -13.721 1.00 0.00 C ATOM 1842 CG TRP B 49 9.636 -4.048 -12.895 1.00 0.00 C ATOM 1843 CD1 TRP B 49 10.809 -4.585 -13.295 1.00 0.00 C ATOM 1844 CD2 TRP B 49 9.856 -3.538 -11.550 1.00 0.00 C ATOM 1845 NE1 TRP B 49 11.743 -4.426 -12.287 1.00 0.00 N ATOM 1846 CE2 TRP B 49 11.201 -3.789 -11.190 1.00 0.00 C ATOM 1847 CE3 TRP B 49 9.031 -2.886 -10.615 1.00 0.00 C ATOM 1848 CZ2 TRP B 49 11.708 -3.403 -9.953 1.00 0.00 C ATOM 1849 CZ3 TRP B 49 9.541 -2.502 -9.366 1.00 0.00 C ATOM 1850 CH2 TRP B 49 10.879 -2.760 -9.039 1.00 0.00 C ATOM 0 H TRP B 49 6.040 -3.489 -13.820 1.00 0.00 H new ATOM 0 HA TRP B 49 7.610 -6.033 -13.632 1.00 0.00 H new ATOM 0 HB2 TRP B 49 8.639 -4.173 -14.768 1.00 0.00 H new ATOM 0 HB3 TRP B 49 7.951 -3.002 -13.660 1.00 0.00 H new ATOM 0 HD1 TRP B 49 10.989 -5.061 -14.247 1.00 0.00 H new ATOM 0 HE1 TRP B 49 12.711 -4.740 -12.347 1.00 0.00 H new ATOM 0 HE3 TRP B 49 8.000 -2.680 -10.860 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 12.740 -3.602 -9.704 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 8.900 -2.005 -8.653 1.00 0.00 H new ATOM 0 HH2 TRP B 49 11.267 -2.460 -8.077 1.00 0.00 H new ATOM 1861 N TYR B 50 6.598 -4.328 -11.053 1.00 0.00 N ATOM 1862 CA TYR B 50 6.524 -4.400 -9.562 1.00 0.00 C ATOM 1863 C TYR B 50 5.434 -5.395 -9.140 1.00 0.00 C ATOM 1864 O TYR B 50 5.437 -5.905 -8.038 1.00 0.00 O ATOM 1865 CB TYR B 50 6.177 -2.967 -9.117 1.00 0.00 C ATOM 1866 CG TYR B 50 5.239 -2.976 -7.924 1.00 0.00 C ATOM 1867 CD1 TYR B 50 3.869 -3.239 -8.097 1.00 0.00 C ATOM 1868 CD2 TYR B 50 5.746 -2.729 -6.644 1.00 0.00 C ATOM 1869 CE1 TYR B 50 3.015 -3.255 -6.988 1.00 0.00 C ATOM 1870 CE2 TYR B 50 4.891 -2.743 -5.536 1.00 0.00 C ATOM 1871 CZ TYR B 50 3.526 -3.006 -5.708 1.00 0.00 C ATOM 1872 OH TYR B 50 2.685 -3.022 -4.615 1.00 0.00 O ATOM 0 H TYR B 50 6.024 -3.601 -11.479 1.00 0.00 H new ATOM 0 HA TYR B 50 7.452 -4.746 -9.108 1.00 0.00 H new ATOM 0 HB2 TYR B 50 7.091 -2.431 -8.860 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.713 -2.429 -9.944 1.00 0.00 H new ATOM 0 HD1 TYR B 50 3.476 -3.429 -9.085 1.00 0.00 H new ATOM 0 HD2 TYR B 50 6.799 -2.527 -6.510 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.963 -3.459 -7.119 1.00 0.00 H new ATOM 0 HE2 TYR B 50 5.284 -2.551 -4.548 1.00 0.00 H new ATOM 0 HH TYR B 50 3.200 -2.831 -3.803 1.00 0.00 H new ATOM 1882 N ALA B 51 4.507 -5.667 -10.009 1.00 0.00 N ATOM 1883 CA ALA B 51 3.419 -6.618 -9.670 1.00 0.00 C ATOM 1884 C ALA B 51 3.930 -8.042 -9.834 1.00 0.00 C ATOM 1885 O ALA B 51 3.452 -8.964 -9.203 1.00 0.00 O ATOM 1886 CB ALA B 51 2.310 -6.325 -10.681 1.00 0.00 C ATOM 0 H ALA B 51 4.456 -5.268 -10.947 1.00 0.00 H new ATOM 0 HA ALA B 51 3.066 -6.512 -8.644 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.465 -6.989 -10.497 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.987 -5.289 -10.576 1.00 0.00 H new ATOM 0 HB3 ALA B 51 2.686 -6.487 -11.691 1.00 0.00 H new