USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 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 28 THR OG1 : rot -22:sc= -1.71! USER MOD Set 1.2: A 31 SER OG : rot 105:sc= 0.596 USER MOD Single : A 3 GLN : amide:sc= -0.791 K(o=-0.79,f=-7.6!) USER MOD Single : A 7 SER OG : rot -96:sc= 0.621 USER MOD Single : A 13 GLN : amide:sc= -2.62! C(o=-2.6!,f=-6.3!) USER MOD Single : A 17 SER OG : rot -101:sc= 0.154! USER MOD Single : A 21 SER OG : rot -123:sc= 0.474 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.138 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -152:sc= -17.2! (180deg=-19.1!) USER MOD Single : A 35 SER OG : rot -17:sc= -2.86! USER MOD Single : A 39 GLN : amide:sc= -6.21! C(o=-6.2!,f=-9!) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.469) USER MOD Single : A 49 SER OG : rot 1:sc= 0.712 USER MOD Single : A 52 SER OG : rot 180:sc= -1.58! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.191 USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.325) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.698 X(o=-0.7,f=-0.26) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.382) USER MOD Single : A 77 ASN : amide:sc= -5.76! C(o=-5.8!,f=-10!) USER MOD Single : A 78 THR OG1 : rot 123:sc= -2.97! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -3.64! C(o=-3.6!,f=-13!) USER MOD Single : A 83 MET CE :methyl -113:sc= -14.8! (180deg=-17.9!) USER MOD Single : A 84 ASN : amide:sc= 0.0448 K(o=0.045,f=-4.9!) USER MOD Single : A 85 SER OG : rot -75:sc= 0.831 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -145:sc= -3.14! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -153:sc= -2.72! (180deg=-4.45!) USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0621) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 109:sc= -1.76! USER MOD Single : A 109 GLN : amide:sc= -1.05 K(o=-1.1,f=-4.5!) USER MOD Single : A 111 THR OG1 : rot 60:sc= 0.0883 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.680 10.706 -11.884 1.00 0.00 N ATOM 11 CA VAL A 2 -11.509 9.791 -11.946 1.00 0.00 C ATOM 12 C VAL A 2 -11.998 8.354 -12.170 1.00 0.00 C ATOM 13 O VAL A 2 -13.070 7.977 -11.741 1.00 0.00 O ATOM 14 CB VAL A 2 -10.719 9.893 -10.629 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.438 9.116 -9.522 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.313 9.316 -10.821 1.00 0.00 C ATOM 0 HA VAL A 2 -10.857 10.072 -12.773 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.647 10.943 -10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.871 9.195 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.435 9.532 -9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.521 8.068 -9.808 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.758 9.391 -9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.386 8.269 -11.117 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.793 9.877 -11.597 1.00 0.00 H new ATOM 17 N GLN A 3 -11.215 7.551 -12.833 1.00 0.00 N ATOM 18 CA GLN A 3 -11.615 6.132 -13.082 1.00 0.00 C ATOM 19 C GLN A 3 -10.508 5.250 -12.520 1.00 0.00 C ATOM 20 O GLN A 3 -9.374 5.671 -12.464 1.00 0.00 O ATOM 21 CB GLN A 3 -11.756 5.892 -14.586 1.00 0.00 C ATOM 22 CG GLN A 3 -13.165 5.381 -14.894 1.00 0.00 C ATOM 23 CD GLN A 3 -13.240 3.879 -14.605 1.00 0.00 C ATOM 24 OE1 GLN A 3 -12.295 3.298 -14.109 1.00 0.00 O ATOM 25 NE2 GLN A 3 -14.331 3.224 -14.895 1.00 0.00 N ATOM 0 H GLN A 3 -10.308 7.815 -13.217 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.570 5.907 -12.608 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.566 6.816 -15.131 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.014 5.167 -14.920 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.897 5.915 -14.289 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.413 5.574 -15.938 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.124 3.713 -15.311 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.391 2.224 -14.705 1.00 0.00 H new ATOM 26 N LEU A 4 -10.795 4.054 -12.068 1.00 0.00 N ATOM 27 CA LEU A 4 -9.678 3.247 -11.490 1.00 0.00 C ATOM 28 C LEU A 4 -10.154 1.976 -10.784 1.00 0.00 C ATOM 29 O LEU A 4 -11.329 1.758 -10.568 1.00 0.00 O ATOM 30 CB LEU A 4 -8.959 4.088 -10.443 1.00 0.00 C ATOM 31 CG LEU A 4 -9.918 5.107 -9.806 1.00 0.00 C ATOM 32 CD1 LEU A 4 -10.000 4.869 -8.299 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.420 6.527 -10.078 1.00 0.00 C ATOM 0 H LEU A 4 -11.716 3.615 -12.072 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.036 2.961 -12.323 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.546 3.439 -9.671 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.120 4.610 -10.903 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.909 4.985 -10.242 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.681 5.594 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.368 3.861 -8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.010 4.982 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.103 7.245 -9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.425 6.652 -9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.376 6.697 -11.154 1.00 0.00 H new ATOM 34 N VAL A 5 -9.201 1.150 -10.398 1.00 0.00 N ATOM 35 CA VAL A 5 -9.517 -0.118 -9.665 1.00 0.00 C ATOM 36 C VAL A 5 -8.255 -1.010 -9.564 1.00 0.00 C ATOM 37 O VAL A 5 -7.959 -1.781 -10.455 1.00 0.00 O ATOM 38 CB VAL A 5 -10.651 -0.900 -10.361 1.00 0.00 C ATOM 39 CG1 VAL A 5 -11.977 -0.575 -9.675 1.00 0.00 C ATOM 40 CG2 VAL A 5 -10.765 -0.536 -11.849 1.00 0.00 C ATOM 0 H VAL A 5 -8.207 1.307 -10.564 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.850 0.153 -8.663 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.421 -1.963 -10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.783 -1.124 -10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.924 -0.863 -8.625 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.172 0.495 -9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.575 -1.108 -12.302 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.973 0.529 -11.948 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.828 -0.771 -12.354 1.00 0.00 H new ATOM 41 N GLU A 6 -7.522 -0.915 -8.464 1.00 0.00 N ATOM 42 CA GLU A 6 -6.286 -1.763 -8.266 1.00 0.00 C ATOM 43 C GLU A 6 -6.521 -3.159 -8.852 1.00 0.00 C ATOM 44 O GLU A 6 -7.650 -3.565 -9.047 1.00 0.00 O ATOM 45 CB GLU A 6 -6.004 -1.891 -6.766 1.00 0.00 C ATOM 46 CG GLU A 6 -7.199 -2.548 -6.074 1.00 0.00 C ATOM 47 CD GLU A 6 -8.288 -1.501 -5.841 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.124 -0.693 -4.943 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.266 -1.523 -6.569 1.00 0.00 O ATOM 0 H GLU A 6 -7.730 -0.282 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.439 -1.296 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.105 -2.486 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.817 -0.907 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.586 -3.362 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.889 -2.984 -5.124 1.00 0.00 H new ATOM 50 N SER A 7 -5.484 -3.915 -9.135 1.00 0.00 N ATOM 51 CA SER A 7 -5.720 -5.277 -9.706 1.00 0.00 C ATOM 52 C SER A 7 -4.424 -5.850 -10.281 1.00 0.00 C ATOM 53 O SER A 7 -3.737 -5.214 -11.059 1.00 0.00 O ATOM 54 CB SER A 7 -6.766 -5.183 -10.818 1.00 0.00 C ATOM 55 OG SER A 7 -6.680 -3.906 -11.436 1.00 0.00 O ATOM 0 H SER A 7 -4.507 -3.654 -8.999 1.00 0.00 H new ATOM 0 HA SER A 7 -6.074 -5.935 -8.912 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.601 -5.969 -11.555 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.764 -5.335 -10.408 1.00 0.00 H new ATOM 0 HG SER A 7 -7.347 -3.306 -11.041 1.00 0.00 H new ATOM 56 N GLY A 8 -4.088 -7.052 -9.900 1.00 0.00 N ATOM 57 CA GLY A 8 -2.841 -7.689 -10.412 1.00 0.00 C ATOM 58 C GLY A 8 -2.764 -9.122 -9.883 1.00 0.00 C ATOM 59 O GLY A 8 -3.269 -10.045 -10.490 1.00 0.00 O ATOM 0 H GLY A 8 -4.628 -7.625 -9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.838 -7.689 -11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.968 -7.121 -10.090 1.00 0.00 H new ATOM 60 N GLY A 9 -2.148 -9.314 -8.748 1.00 0.00 N ATOM 61 CA GLY A 9 -2.056 -10.687 -8.174 1.00 0.00 C ATOM 62 C GLY A 9 -0.715 -11.326 -8.544 1.00 0.00 C ATOM 63 O GLY A 9 -0.520 -12.515 -8.380 1.00 0.00 O ATOM 0 H GLY A 9 -1.705 -8.581 -8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.160 -10.643 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.875 -11.301 -8.548 1.00 0.00 H new ATOM 64 N GLY A 10 0.212 -10.554 -9.036 1.00 0.00 N ATOM 65 CA GLY A 10 1.536 -11.132 -9.407 1.00 0.00 C ATOM 66 C GLY A 10 2.022 -12.051 -8.281 1.00 0.00 C ATOM 67 O GLY A 10 1.675 -11.871 -7.129 1.00 0.00 O ATOM 0 H GLY A 10 0.113 -9.552 -9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.453 -11.692 -10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.259 -10.334 -9.578 1.00 0.00 H new ATOM 68 N LEU A 11 2.821 -13.035 -8.602 1.00 0.00 N ATOM 69 CA LEU A 11 3.328 -13.960 -7.545 1.00 0.00 C ATOM 70 C LEU A 11 4.461 -13.274 -6.777 1.00 0.00 C ATOM 71 O LEU A 11 4.984 -12.264 -7.206 1.00 0.00 O ATOM 72 CB LEU A 11 3.852 -15.243 -8.195 1.00 0.00 C ATOM 73 CG LEU A 11 2.676 -16.167 -8.517 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.083 -17.160 -9.608 1.00 0.00 C ATOM 75 CD2 LEU A 11 2.271 -16.929 -7.253 1.00 0.00 C ATOM 0 H LEU A 11 3.144 -13.238 -9.548 1.00 0.00 H new ATOM 0 HA LEU A 11 2.519 -14.210 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.401 -15.004 -9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.550 -15.745 -7.524 1.00 0.00 H new ATOM 0 HG LEU A 11 1.833 -15.573 -8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.243 -17.816 -9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.370 -16.615 -10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.926 -17.757 -9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.433 -17.589 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.115 -17.522 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.976 -16.220 -6.479 1.00 0.00 H new ATOM 76 N VAL A 12 4.841 -13.794 -5.637 1.00 0.00 N ATOM 77 CA VAL A 12 5.937 -13.129 -4.863 1.00 0.00 C ATOM 78 C VAL A 12 6.539 -14.067 -3.813 1.00 0.00 C ATOM 79 O VAL A 12 6.387 -13.843 -2.631 1.00 0.00 O ATOM 80 CB VAL A 12 5.389 -11.899 -4.131 1.00 0.00 C ATOM 81 CG1 VAL A 12 5.901 -10.628 -4.810 1.00 0.00 C ATOM 82 CG2 VAL A 12 3.856 -11.906 -4.156 1.00 0.00 C ATOM 0 H VAL A 12 4.449 -14.635 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 12 6.709 -12.847 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 12 5.728 -11.926 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.510 -9.754 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.990 -10.612 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.568 -10.610 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.480 -11.027 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.509 -11.890 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.488 -12.806 -3.664 1.00 0.00 H new ATOM 83 N GLN A 13 7.239 -15.089 -4.205 1.00 0.00 N ATOM 84 CA GLN A 13 7.858 -15.979 -3.178 1.00 0.00 C ATOM 85 C GLN A 13 8.691 -15.081 -2.241 1.00 0.00 C ATOM 86 O GLN A 13 8.648 -13.875 -2.376 1.00 0.00 O ATOM 87 CB GLN A 13 8.753 -17.004 -3.884 1.00 0.00 C ATOM 88 CG GLN A 13 8.344 -18.419 -3.465 1.00 0.00 C ATOM 89 CD GLN A 13 9.559 -19.345 -3.540 1.00 0.00 C ATOM 90 OE1 GLN A 13 10.686 -18.897 -3.460 1.00 0.00 O ATOM 91 NE2 GLN A 13 9.379 -20.629 -3.695 1.00 0.00 N ATOM 0 H GLN A 13 7.411 -15.349 -5.176 1.00 0.00 H new ATOM 0 HA GLN A 13 7.105 -16.520 -2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.666 -16.895 -4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.798 -16.826 -3.629 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.944 -18.408 -2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.552 -18.788 -4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.434 -21.007 -3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.183 -21.254 -3.749 1.00 0.00 H new ATOM 92 N PRO A 14 9.448 -15.654 -1.333 1.00 0.00 N ATOM 93 CA PRO A 14 10.284 -14.854 -0.419 1.00 0.00 C ATOM 94 C PRO A 14 11.465 -14.192 -1.140 1.00 0.00 C ATOM 95 O PRO A 14 12.395 -13.712 -0.525 1.00 0.00 O ATOM 96 CB PRO A 14 10.714 -15.849 0.660 1.00 0.00 C ATOM 97 CG PRO A 14 10.543 -17.255 0.046 1.00 0.00 C ATOM 98 CD PRO A 14 9.546 -17.110 -1.120 1.00 0.00 C ATOM 0 HA PRO A 14 9.746 -14.008 0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.749 -15.678 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.103 -15.739 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.499 -17.642 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.170 -17.959 0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.903 -17.620 -2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.577 -17.542 -0.871 1.00 0.00 H new ATOM 99 N GLY A 15 11.387 -14.099 -2.435 1.00 0.00 N ATOM 100 CA GLY A 15 12.435 -13.397 -3.217 1.00 0.00 C ATOM 101 C GLY A 15 11.783 -12.113 -3.726 1.00 0.00 C ATOM 102 O GLY A 15 12.423 -11.098 -3.917 1.00 0.00 O ATOM 0 H GLY A 15 10.627 -14.487 -2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.303 -13.175 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.784 -14.014 -4.045 1.00 0.00 H new ATOM 103 N GLY A 16 10.485 -12.161 -3.904 1.00 0.00 N ATOM 104 CA GLY A 16 9.722 -10.971 -4.351 1.00 0.00 C ATOM 105 C GLY A 16 10.056 -10.602 -5.788 1.00 0.00 C ATOM 106 O GLY A 16 11.165 -10.779 -6.254 1.00 0.00 O ATOM 0 H GLY A 16 9.918 -12.995 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.654 -11.169 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.944 -10.128 -3.697 1.00 0.00 H new ATOM 107 N SER A 17 9.084 -10.059 -6.468 1.00 0.00 N ATOM 108 CA SER A 17 9.261 -9.620 -7.874 1.00 0.00 C ATOM 109 C SER A 17 7.910 -9.740 -8.580 1.00 0.00 C ATOM 110 O SER A 17 7.721 -10.589 -9.428 1.00 0.00 O ATOM 111 CB SER A 17 10.282 -10.508 -8.591 1.00 0.00 C ATOM 112 OG SER A 17 10.133 -11.848 -8.145 1.00 0.00 O ATOM 0 H SER A 17 8.149 -9.899 -6.093 1.00 0.00 H new ATOM 0 HA SER A 17 9.623 -8.592 -7.893 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.135 -10.453 -9.670 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.293 -10.155 -8.389 1.00 0.00 H new ATOM 0 HG SER A 17 10.831 -12.054 -7.488 1.00 0.00 H new ATOM 113 N LEU A 18 6.950 -8.923 -8.220 1.00 0.00 N ATOM 114 CA LEU A 18 5.614 -9.041 -8.864 1.00 0.00 C ATOM 115 C LEU A 18 5.290 -7.789 -9.663 1.00 0.00 C ATOM 116 O LEU A 18 6.056 -6.850 -9.715 1.00 0.00 O ATOM 117 CB LEU A 18 4.562 -9.300 -7.769 1.00 0.00 C ATOM 118 CG LEU A 18 3.597 -8.120 -7.564 1.00 0.00 C ATOM 119 CD1 LEU A 18 2.193 -8.517 -8.020 1.00 0.00 C ATOM 120 CD2 LEU A 18 3.555 -7.785 -6.085 1.00 0.00 C ATOM 0 H LEU A 18 7.036 -8.190 -7.516 1.00 0.00 H new ATOM 0 HA LEU A 18 5.612 -9.875 -9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.988 -10.189 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.071 -9.513 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 18 3.937 -7.261 -8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.512 -7.679 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.216 -8.785 -9.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.849 -9.371 -7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.875 -6.949 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.206 -8.653 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.554 -7.512 -5.745 1.00 0.00 H new ATOM 121 N ARG A 19 4.142 -7.778 -10.279 1.00 0.00 N ATOM 122 CA ARG A 19 3.734 -6.603 -11.086 1.00 0.00 C ATOM 123 C ARG A 19 2.244 -6.302 -10.867 1.00 0.00 C ATOM 124 O ARG A 19 1.403 -6.665 -11.666 1.00 0.00 O ATOM 125 CB ARG A 19 3.988 -6.924 -12.555 1.00 0.00 C ATOM 126 CG ARG A 19 4.680 -5.737 -13.230 1.00 0.00 C ATOM 127 CD ARG A 19 4.547 -5.855 -14.750 1.00 0.00 C ATOM 128 NE ARG A 19 5.692 -5.158 -15.403 1.00 0.00 N ATOM 129 CZ ARG A 19 6.454 -5.799 -16.247 1.00 0.00 C ATOM 130 NH1 ARG A 19 6.680 -7.074 -16.087 1.00 0.00 N ATOM 131 NH2 ARG A 19 6.995 -5.162 -17.250 1.00 0.00 N ATOM 0 H ARG A 19 3.465 -8.541 -10.256 1.00 0.00 H new ATOM 0 HA ARG A 19 4.308 -5.726 -10.786 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.609 -7.816 -12.640 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.046 -7.142 -13.058 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.235 -4.803 -12.888 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.733 -5.710 -12.949 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.530 -6.904 -15.044 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.605 -5.417 -15.079 1.00 0.00 H new ATOM 0 HE ARG A 19 5.880 -4.178 -15.190 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.261 -7.572 -15.301 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.276 -7.573 -16.748 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.822 -4.164 -17.374 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.591 -5.662 -17.910 1.00 0.00 H new ATOM 132 N LEU A 20 1.912 -5.628 -9.796 1.00 0.00 N ATOM 133 CA LEU A 20 0.479 -5.289 -9.533 1.00 0.00 C ATOM 134 C LEU A 20 0.216 -3.864 -10.021 1.00 0.00 C ATOM 135 O LEU A 20 1.056 -3.002 -9.904 1.00 0.00 O ATOM 136 CB LEU A 20 0.195 -5.388 -8.032 1.00 0.00 C ATOM 137 CG LEU A 20 -1.274 -5.723 -7.828 1.00 0.00 C ATOM 138 CD1 LEU A 20 -1.573 -5.850 -6.336 1.00 0.00 C ATOM 139 CD2 LEU A 20 -2.161 -4.635 -8.436 1.00 0.00 C ATOM 0 H LEU A 20 2.571 -5.297 -9.091 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.173 -5.985 -10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.823 -6.156 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.438 -4.446 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.487 -6.670 -8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.627 -6.090 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.960 -6.643 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.346 -4.907 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.209 -4.891 -8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.946 -3.680 -7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.961 -4.557 -9.505 1.00 0.00 H new ATOM 140 N SER A 21 -0.926 -3.601 -10.595 1.00 0.00 N ATOM 141 CA SER A 21 -1.171 -2.224 -11.100 1.00 0.00 C ATOM 142 C SER A 21 -2.466 -1.610 -10.550 1.00 0.00 C ATOM 143 O SER A 21 -3.365 -2.294 -10.100 1.00 0.00 O ATOM 144 CB SER A 21 -1.288 -2.281 -12.613 1.00 0.00 C ATOM 145 OG SER A 21 -1.355 -3.638 -13.030 1.00 0.00 O ATOM 0 H SER A 21 -1.686 -4.267 -10.734 1.00 0.00 H new ATOM 0 HA SER A 21 -0.338 -1.603 -10.771 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.178 -1.744 -12.941 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.431 -1.789 -13.074 1.00 0.00 H new ATOM 0 HG SER A 21 -0.635 -3.820 -13.669 1.00 0.00 H new ATOM 146 N CYS A 22 -2.563 -0.304 -10.641 1.00 0.00 N ATOM 147 CA CYS A 22 -3.777 0.428 -10.199 1.00 0.00 C ATOM 148 C CYS A 22 -4.579 0.795 -11.436 1.00 0.00 C ATOM 149 O CYS A 22 -4.152 1.605 -12.240 1.00 0.00 O ATOM 150 CB CYS A 22 -3.368 1.692 -9.472 1.00 0.00 C ATOM 151 SG CYS A 22 -3.479 1.345 -7.716 1.00 0.00 S ATOM 0 H CYS A 22 -1.826 0.294 -11.015 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.372 -0.192 -9.528 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.353 1.983 -9.744 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.021 2.522 -9.743 1.00 0.00 H new ATOM 152 N ALA A 23 -5.724 0.206 -11.615 1.00 0.00 N ATOM 153 CA ALA A 23 -6.525 0.542 -12.815 1.00 0.00 C ATOM 154 C ALA A 23 -6.787 2.041 -12.804 1.00 0.00 C ATOM 155 O ALA A 23 -6.666 2.690 -11.785 1.00 0.00 O ATOM 156 CB ALA A 23 -7.843 -0.222 -12.790 1.00 0.00 C ATOM 0 H ALA A 23 -6.135 -0.486 -10.989 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.986 0.263 -13.720 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.427 0.030 -13.675 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.642 -1.293 -12.781 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.404 0.050 -11.896 1.00 0.00 H new ATOM 157 N ALA A 24 -7.137 2.597 -13.924 1.00 0.00 N ATOM 158 CA ALA A 24 -7.387 4.055 -13.973 1.00 0.00 C ATOM 159 C ALA A 24 -7.624 4.491 -15.421 1.00 0.00 C ATOM 160 O ALA A 24 -7.000 3.999 -16.351 1.00 0.00 O ATOM 161 CB ALA A 24 -6.177 4.794 -13.397 1.00 0.00 C ATOM 0 H ALA A 24 -7.261 2.103 -14.808 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.272 4.294 -13.383 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.357 5.869 -13.431 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.020 4.485 -12.364 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.291 4.556 -13.985 1.00 0.00 H new ATOM 162 N SER A 25 -8.536 5.405 -15.610 1.00 0.00 N ATOM 163 CA SER A 25 -8.856 5.883 -16.981 1.00 0.00 C ATOM 164 C SER A 25 -9.014 7.404 -16.967 1.00 0.00 C ATOM 165 O SER A 25 -9.074 8.014 -15.920 1.00 0.00 O ATOM 166 CB SER A 25 -10.170 5.247 -17.415 1.00 0.00 C ATOM 167 OG SER A 25 -9.945 4.434 -18.559 1.00 0.00 O ATOM 0 H SER A 25 -9.077 5.844 -14.865 1.00 0.00 H new ATOM 0 HA SER A 25 -8.056 5.611 -17.670 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.582 4.647 -16.604 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.903 6.020 -17.643 1.00 0.00 H new ATOM 0 HG SER A 25 -10.789 4.022 -18.839 1.00 0.00 H new ATOM 168 N GLY A 26 -9.091 8.016 -18.123 1.00 0.00 N ATOM 169 CA GLY A 26 -9.253 9.500 -18.183 1.00 0.00 C ATOM 170 C GLY A 26 -8.191 10.169 -17.311 1.00 0.00 C ATOM 171 O GLY A 26 -7.122 10.517 -17.771 1.00 0.00 O ATOM 0 H GLY A 26 -9.048 7.550 -19.029 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.161 9.844 -19.213 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.249 9.781 -17.840 1.00 0.00 H new ATOM 172 N PHE A 27 -8.476 10.342 -16.051 1.00 0.00 N ATOM 173 CA PHE A 27 -7.491 10.977 -15.133 1.00 0.00 C ATOM 174 C PHE A 27 -6.099 10.362 -15.354 1.00 0.00 C ATOM 175 O PHE A 27 -5.103 10.938 -14.985 1.00 0.00 O ATOM 176 CB PHE A 27 -7.956 10.761 -13.674 1.00 0.00 C ATOM 177 CG PHE A 27 -6.986 9.866 -12.924 1.00 0.00 C ATOM 178 CD1 PHE A 27 -5.726 10.356 -12.570 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.340 8.548 -12.601 1.00 0.00 C ATOM 180 CE1 PHE A 27 -4.820 9.541 -11.897 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.434 7.729 -11.919 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.174 8.221 -11.566 1.00 0.00 C ATOM 0 H PHE A 27 -9.356 10.068 -15.615 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.428 12.046 -15.336 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.036 11.723 -13.167 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.950 10.313 -13.667 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.454 11.371 -12.820 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.311 8.166 -12.879 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.846 9.922 -11.629 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.708 6.716 -11.665 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.474 7.589 -11.040 1.00 0.00 H new ATOM 183 N THR A 28 -6.035 9.182 -15.914 1.00 0.00 N ATOM 184 CA THR A 28 -4.721 8.506 -16.128 1.00 0.00 C ATOM 185 C THR A 28 -4.123 8.134 -14.764 1.00 0.00 C ATOM 186 O THR A 28 -4.764 7.470 -13.976 1.00 0.00 O ATOM 187 CB THR A 28 -3.766 9.399 -16.942 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.276 10.465 -16.144 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.510 9.971 -18.148 1.00 0.00 C ATOM 0 H THR A 28 -6.846 8.653 -16.235 1.00 0.00 H new ATOM 0 HA THR A 28 -4.870 7.595 -16.708 1.00 0.00 H new ATOM 0 HB THR A 28 -2.923 8.795 -17.276 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.889 10.622 -15.396 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.835 10.603 -18.725 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.868 9.155 -18.775 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.358 10.564 -17.805 1.00 0.00 H new ATOM 190 N PHE A 29 -2.902 8.506 -14.476 1.00 0.00 N ATOM 191 CA PHE A 29 -2.308 8.104 -13.160 1.00 0.00 C ATOM 192 C PHE A 29 -1.209 9.088 -12.771 1.00 0.00 C ATOM 193 O PHE A 29 -1.081 9.483 -11.629 1.00 0.00 O ATOM 194 CB PHE A 29 -1.700 6.708 -13.294 1.00 0.00 C ATOM 195 CG PHE A 29 -2.355 6.020 -14.457 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.000 6.372 -15.767 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.349 5.069 -14.232 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.643 5.765 -16.843 1.00 0.00 C ATOM 199 CE2 PHE A 29 -3.985 4.467 -15.308 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.632 4.816 -16.610 1.00 0.00 C ATOM 0 H PHE A 29 -2.297 9.061 -15.082 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.085 8.104 -12.395 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.623 6.776 -13.450 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.854 6.137 -12.379 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.231 7.111 -15.941 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.623 4.801 -13.222 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.374 6.031 -17.855 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.754 3.728 -15.137 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.131 4.346 -17.445 1.00 0.00 H new ATOM 201 N SER A 30 -0.419 9.482 -13.725 1.00 0.00 N ATOM 202 CA SER A 30 0.680 10.445 -13.447 1.00 0.00 C ATOM 203 C SER A 30 0.191 11.842 -13.798 1.00 0.00 C ATOM 204 O SER A 30 0.597 12.823 -13.207 1.00 0.00 O ATOM 205 CB SER A 30 1.896 10.096 -14.309 1.00 0.00 C ATOM 206 OG SER A 30 3.017 10.854 -13.869 1.00 0.00 O ATOM 0 H SER A 30 -0.487 9.176 -14.696 1.00 0.00 H new ATOM 0 HA SER A 30 0.965 10.399 -12.396 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.113 9.030 -14.238 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.687 10.310 -15.357 1.00 0.00 H new ATOM 0 HG SER A 30 3.798 10.632 -14.418 1.00 0.00 H new ATOM 207 N SER A 31 -0.693 11.941 -14.754 1.00 0.00 N ATOM 208 CA SER A 31 -1.215 13.280 -15.129 1.00 0.00 C ATOM 209 C SER A 31 -1.617 14.017 -13.853 1.00 0.00 C ATOM 210 O SER A 31 -1.339 15.187 -13.688 1.00 0.00 O ATOM 211 CB SER A 31 -2.433 13.131 -16.041 1.00 0.00 C ATOM 212 OG SER A 31 -2.021 12.601 -17.294 1.00 0.00 O ATOM 0 H SER A 31 -1.072 11.158 -15.286 1.00 0.00 H new ATOM 0 HA SER A 31 -0.447 13.840 -15.662 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.169 12.473 -15.579 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.915 14.098 -16.183 1.00 0.00 H new ATOM 0 HG SER A 31 -2.287 11.660 -17.354 1.00 0.00 H new ATOM 213 N TYR A 32 -2.270 13.339 -12.945 1.00 0.00 N ATOM 214 CA TYR A 32 -2.681 14.009 -11.680 1.00 0.00 C ATOM 215 C TYR A 32 -2.015 13.318 -10.494 1.00 0.00 C ATOM 216 O TYR A 32 -2.257 13.654 -9.353 1.00 0.00 O ATOM 217 CB TYR A 32 -4.202 13.936 -11.540 1.00 0.00 C ATOM 218 CG TYR A 32 -4.826 14.205 -12.886 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.728 13.246 -13.901 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.490 15.414 -13.123 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.298 13.499 -15.157 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.059 15.666 -14.376 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.962 14.708 -15.393 1.00 0.00 C ATOM 224 OH TYR A 32 -6.521 14.957 -16.629 1.00 0.00 O ATOM 0 H TYR A 32 -2.534 12.357 -13.025 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.371 15.054 -11.701 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.501 12.953 -11.175 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.550 14.667 -10.810 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.215 12.314 -13.717 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.563 16.153 -12.338 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.225 12.761 -15.942 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.573 16.598 -14.559 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.945 15.841 -16.624 1.00 0.00 H new ATOM 225 N ALA A 33 -1.167 12.364 -10.754 1.00 0.00 N ATOM 226 CA ALA A 33 -0.479 11.667 -9.638 1.00 0.00 C ATOM 227 C ALA A 33 -1.486 10.811 -8.869 1.00 0.00 C ATOM 228 O ALA A 33 -2.677 10.884 -9.096 1.00 0.00 O ATOM 229 CB ALA A 33 0.127 12.712 -8.699 1.00 0.00 C ATOM 0 H ALA A 33 -0.922 12.039 -11.689 1.00 0.00 H new ATOM 0 HA ALA A 33 0.308 11.025 -10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.635 12.210 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.843 13.323 -9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.665 13.348 -8.303 1.00 0.00 H new ATOM 230 N MET A 34 -1.018 10.003 -7.957 1.00 0.00 N ATOM 231 CA MET A 34 -1.935 9.150 -7.167 1.00 0.00 C ATOM 232 C MET A 34 -1.104 8.353 -6.170 1.00 0.00 C ATOM 233 O MET A 34 0.008 8.719 -5.842 1.00 0.00 O ATOM 234 CB MET A 34 -2.683 8.197 -8.097 1.00 0.00 C ATOM 235 CG MET A 34 -1.701 7.195 -8.699 1.00 0.00 C ATOM 236 SD MET A 34 -2.617 5.990 -9.684 1.00 0.00 S ATOM 237 CE MET A 34 -2.053 4.508 -8.815 1.00 0.00 C ATOM 0 H MET A 34 -0.030 9.900 -7.727 1.00 0.00 H new ATOM 0 HA MET A 34 -2.664 9.766 -6.641 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.463 7.671 -7.546 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.177 8.759 -8.890 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.970 7.712 -9.321 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.146 6.690 -7.908 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.066 3.659 -9.498 1.00 0.00 H new ATOM 0 HE2 MET A 34 -1.038 4.664 -8.450 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.715 4.306 -7.973 1.00 0.00 H new ATOM 238 N SER A 35 -1.625 7.270 -5.688 1.00 0.00 N ATOM 239 CA SER A 35 -0.860 6.448 -4.715 1.00 0.00 C ATOM 240 C SER A 35 -1.576 5.130 -4.542 1.00 0.00 C ATOM 241 O SER A 35 -2.739 5.025 -4.887 1.00 0.00 O ATOM 242 CB SER A 35 -0.810 7.165 -3.377 1.00 0.00 C ATOM 243 OG SER A 35 -0.172 8.425 -3.537 1.00 0.00 O ATOM 0 H SER A 35 -2.551 6.914 -5.924 1.00 0.00 H new ATOM 0 HA SER A 35 0.155 6.286 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.819 7.303 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.268 6.561 -2.649 1.00 0.00 H new ATOM 0 HG SER A 35 0.331 8.433 -4.378 1.00 0.00 H new ATOM 244 N TRP A 36 -0.946 4.101 -4.028 1.00 0.00 N ATOM 245 CA TRP A 36 -1.741 2.869 -3.925 1.00 0.00 C ATOM 246 C TRP A 36 -1.063 1.701 -3.179 1.00 0.00 C ATOM 247 O TRP A 36 0.157 1.639 -2.984 1.00 0.00 O ATOM 248 CB TRP A 36 -2.136 2.488 -5.345 1.00 0.00 C ATOM 249 CG TRP A 36 -1.162 1.594 -5.978 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.005 1.951 -6.570 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.302 0.172 -6.136 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.577 0.821 -7.083 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.185 -0.317 -6.824 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.299 -0.730 -5.726 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.062 -1.682 -7.103 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.171 -2.086 -5.992 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.058 -2.563 -6.674 1.00 0.00 C ATOM 0 H TRP A 36 0.019 4.068 -3.699 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.610 3.073 -3.299 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.112 2.004 -5.329 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.238 3.392 -5.945 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.394 2.953 -6.630 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.461 0.814 -7.593 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.170 -0.366 -5.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.796 -2.052 -7.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.939 -2.773 -5.668 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.962 -3.620 -6.873 1.00 0.00 H new ATOM 258 N VAL A 37 -1.934 0.793 -2.754 1.00 0.00 N ATOM 259 CA VAL A 37 -1.576 -0.437 -1.977 1.00 0.00 C ATOM 260 C VAL A 37 -1.983 -0.207 -0.502 1.00 0.00 C ATOM 261 O VAL A 37 -2.606 0.780 -0.228 1.00 0.00 O ATOM 262 CB VAL A 37 -0.083 -0.771 -2.129 1.00 0.00 C ATOM 263 CG1 VAL A 37 0.180 -2.149 -1.561 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.299 -0.801 -3.604 1.00 0.00 C ATOM 0 H VAL A 37 -2.935 0.872 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.115 -1.302 -2.363 1.00 0.00 H new ATOM 0 HB VAL A 37 0.498 -0.013 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.238 -2.390 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.092 -2.166 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.416 -2.885 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.358 -1.038 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.291 -1.560 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.103 0.174 -4.050 1.00 0.00 H new ATOM 265 N ARG A 38 -1.667 -1.119 0.420 1.00 0.00 N ATOM 266 CA ARG A 38 -2.019 -0.973 1.887 1.00 0.00 C ATOM 267 C ARG A 38 -3.051 -2.004 2.384 1.00 0.00 C ATOM 268 O ARG A 38 -4.206 -1.684 2.590 1.00 0.00 O ATOM 269 CB ARG A 38 -2.512 0.434 2.262 1.00 0.00 C ATOM 270 CG ARG A 38 -1.305 1.364 2.445 1.00 0.00 C ATOM 271 CD ARG A 38 -1.127 2.247 1.211 1.00 0.00 C ATOM 272 NE ARG A 38 -0.350 3.463 1.584 1.00 0.00 N ATOM 273 CZ ARG A 38 -0.825 4.649 1.319 1.00 0.00 C ATOM 274 NH1 ARG A 38 -0.579 5.208 0.167 1.00 0.00 N ATOM 275 NH2 ARG A 38 -1.544 5.278 2.208 1.00 0.00 N ATOM 0 H ARG A 38 -1.166 -1.980 0.203 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.070 -1.161 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.169 0.821 1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.097 0.394 3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.447 1.986 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.404 0.774 2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.608 1.696 0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.100 2.532 0.810 1.00 0.00 H new ATOM 0 HE ARG A 38 0.554 3.368 2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.015 4.718 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.951 6.135 -0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.735 4.843 3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.915 6.205 2.000 1.00 0.00 H new ATOM 276 N GLN A 39 -2.621 -3.220 2.653 1.00 0.00 N ATOM 277 CA GLN A 39 -3.542 -4.254 3.218 1.00 0.00 C ATOM 278 C GLN A 39 -2.801 -5.592 3.296 1.00 0.00 C ATOM 279 O GLN A 39 -1.733 -5.744 2.742 1.00 0.00 O ATOM 280 CB GLN A 39 -4.787 -4.392 2.356 1.00 0.00 C ATOM 281 CG GLN A 39 -5.977 -4.756 3.245 1.00 0.00 C ATOM 282 CD GLN A 39 -6.875 -3.532 3.420 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.571 -2.465 2.927 1.00 0.00 O ATOM 284 NE2 GLN A 39 -7.979 -3.640 4.109 1.00 0.00 N ATOM 0 H GLN A 39 -1.664 -3.538 2.502 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.856 -3.949 4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.984 -3.459 1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.636 -5.161 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.542 -5.574 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.626 -5.105 4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.236 -4.536 4.524 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.585 -2.829 4.232 1.00 0.00 H new ATOM 285 N ALA A 40 -3.344 -6.555 3.997 1.00 0.00 N ATOM 286 CA ALA A 40 -2.650 -7.868 4.115 1.00 0.00 C ATOM 287 C ALA A 40 -3.500 -8.840 4.945 1.00 0.00 C ATOM 288 O ALA A 40 -4.491 -8.451 5.531 1.00 0.00 O ATOM 289 CB ALA A 40 -1.298 -7.653 4.799 1.00 0.00 C ATOM 0 H ALA A 40 -4.234 -6.487 4.490 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.501 -8.293 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.781 -8.608 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.694 -6.969 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.455 -7.229 5.791 1.00 0.00 H new ATOM 290 N PRO A 41 -3.074 -10.081 4.966 1.00 0.00 N ATOM 291 CA PRO A 41 -3.760 -11.157 5.713 1.00 0.00 C ATOM 292 C PRO A 41 -3.416 -11.051 7.199 1.00 0.00 C ATOM 293 O PRO A 41 -2.509 -11.703 7.680 1.00 0.00 O ATOM 294 CB PRO A 41 -3.164 -12.436 5.117 1.00 0.00 C ATOM 295 CG PRO A 41 -1.797 -12.036 4.513 1.00 0.00 C ATOM 296 CD PRO A 41 -1.862 -10.524 4.246 1.00 0.00 C ATOM 0 HA PRO A 41 -4.847 -11.119 5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.042 -13.202 5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.820 -12.852 4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.985 -12.274 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.605 -12.585 3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.971 -10.016 4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.932 -10.310 3.179 1.00 0.00 H new ATOM 297 N GLY A 42 -4.099 -10.213 7.932 1.00 0.00 N ATOM 298 CA GLY A 42 -3.759 -10.057 9.374 1.00 0.00 C ATOM 299 C GLY A 42 -2.260 -9.832 9.476 1.00 0.00 C ATOM 300 O GLY A 42 -1.646 -10.036 10.504 1.00 0.00 O ATOM 0 H GLY A 42 -4.870 -9.635 7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.302 -9.216 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.051 -10.946 9.934 1.00 0.00 H new ATOM 301 N LYS A 43 -1.679 -9.376 8.408 1.00 0.00 N ATOM 302 CA LYS A 43 -0.237 -9.085 8.396 1.00 0.00 C ATOM 303 C LYS A 43 -0.107 -7.572 8.420 1.00 0.00 C ATOM 304 O LYS A 43 0.869 -7.006 7.972 1.00 0.00 O ATOM 305 CB LYS A 43 0.378 -9.639 7.109 1.00 0.00 C ATOM 306 CG LYS A 43 1.885 -9.388 7.115 1.00 0.00 C ATOM 307 CD LYS A 43 2.624 -10.718 7.285 1.00 0.00 C ATOM 308 CE LYS A 43 3.523 -10.653 8.520 1.00 0.00 C ATOM 309 NZ LYS A 43 2.723 -10.973 9.735 1.00 0.00 N ATOM 0 H LYS A 43 -2.159 -9.191 7.527 1.00 0.00 H new ATOM 0 HA LYS A 43 0.275 -9.538 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.177 -10.707 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.077 -9.162 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.188 -8.908 6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.148 -8.708 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.907 -11.533 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.222 -10.929 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.349 -11.358 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.961 -9.659 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.790 -10.186 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.728 -11.117 9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.092 -11.840 10.175 1.00 0.00 H new ATOM 310 N GLU A 44 -1.122 -6.912 8.916 1.00 0.00 N ATOM 311 CA GLU A 44 -1.096 -5.436 8.941 1.00 0.00 C ATOM 312 C GLU A 44 -1.048 -4.972 7.485 1.00 0.00 C ATOM 313 O GLU A 44 -0.637 -5.715 6.617 1.00 0.00 O ATOM 314 CB GLU A 44 0.125 -4.988 9.757 1.00 0.00 C ATOM 315 CG GLU A 44 1.230 -4.420 8.856 1.00 0.00 C ATOM 316 CD GLU A 44 2.586 -4.592 9.543 1.00 0.00 C ATOM 317 OE1 GLU A 44 2.743 -4.078 10.638 1.00 0.00 O ATOM 318 OE2 GLU A 44 3.445 -5.235 8.961 1.00 0.00 O ATOM 0 H GLU A 44 -1.963 -7.340 9.303 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.974 -4.997 9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.178 -4.232 10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.515 -5.834 10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.230 -4.933 7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.043 -3.365 8.654 1.00 0.00 H new ATOM 319 N ARG A 45 -1.493 -3.785 7.185 1.00 0.00 N ATOM 320 CA ARG A 45 -1.481 -3.372 5.756 1.00 0.00 C ATOM 321 C ARG A 45 -0.087 -3.492 5.180 1.00 0.00 C ATOM 322 O ARG A 45 0.790 -4.129 5.728 1.00 0.00 O ATOM 323 CB ARG A 45 -1.966 -1.934 5.572 1.00 0.00 C ATOM 324 CG ARG A 45 -0.830 -0.931 5.819 1.00 0.00 C ATOM 325 CD ARG A 45 -1.422 0.475 6.014 1.00 0.00 C ATOM 326 NE ARG A 45 -1.483 0.855 7.466 1.00 0.00 N ATOM 327 CZ ARG A 45 -0.957 0.094 8.390 1.00 0.00 C ATOM 328 NH1 ARG A 45 0.340 0.042 8.531 1.00 0.00 N ATOM 329 NH2 ARG A 45 -1.727 -0.608 9.174 1.00 0.00 N ATOM 0 H ARG A 45 -1.855 -3.099 7.847 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.163 -4.040 5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.356 -1.805 4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.788 -1.734 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.258 -1.222 6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.139 -0.933 4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.818 1.203 5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.424 0.511 5.586 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.944 1.724 7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.942 0.595 7.921 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.751 -0.551 9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.740 -0.564 9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.316 -1.201 9.895 1.00 0.00 H new ATOM 330 N GLU A 46 0.109 -2.876 4.059 1.00 0.00 N ATOM 331 CA GLU A 46 1.422 -2.939 3.404 1.00 0.00 C ATOM 332 C GLU A 46 1.327 -2.243 2.053 1.00 0.00 C ATOM 333 O GLU A 46 0.813 -2.796 1.104 1.00 0.00 O ATOM 334 CB GLU A 46 1.765 -4.403 3.207 1.00 0.00 C ATOM 335 CG GLU A 46 3.240 -4.640 3.542 1.00 0.00 C ATOM 336 CD GLU A 46 3.358 -5.210 4.957 1.00 0.00 C ATOM 337 OE1 GLU A 46 3.310 -6.421 5.092 1.00 0.00 O ATOM 338 OE2 GLU A 46 3.495 -4.425 5.881 1.00 0.00 O ATOM 0 H GLU A 46 -0.595 -2.327 3.567 1.00 0.00 H new ATOM 0 HA GLU A 46 2.189 -2.450 4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.134 -5.023 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.565 -4.697 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.681 -5.330 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.795 -3.705 3.468 1.00 0.00 H new ATOM 339 N ILE A 47 1.815 -1.038 1.960 1.00 0.00 N ATOM 340 CA ILE A 47 1.759 -0.312 0.662 1.00 0.00 C ATOM 341 C ILE A 47 2.805 -0.915 -0.261 1.00 0.00 C ATOM 342 O ILE A 47 3.565 -1.783 0.119 1.00 0.00 O ATOM 343 CB ILE A 47 2.099 1.177 0.880 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.597 2.022 -0.317 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.617 1.335 1.035 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.755 2.453 -1.248 1.00 0.00 C ATOM 0 H ILE A 47 2.250 -0.525 2.727 1.00 0.00 H new ATOM 0 HA ILE A 47 0.760 -0.397 0.233 1.00 0.00 H new ATOM 0 HB ILE A 47 1.604 1.529 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.869 1.446 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.082 2.908 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.860 2.386 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.958 0.755 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.114 0.976 0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.358 3.043 -2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.471 3.052 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.254 1.568 -1.642 1.00 0.00 H new ATOM 347 N VAL A 48 2.879 -0.425 -1.450 1.00 0.00 N ATOM 348 CA VAL A 48 3.911 -0.909 -2.375 1.00 0.00 C ATOM 349 C VAL A 48 4.442 0.281 -3.156 1.00 0.00 C ATOM 350 O VAL A 48 5.614 0.354 -3.456 1.00 0.00 O ATOM 351 CB VAL A 48 3.362 -1.955 -3.327 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.508 -2.424 -4.215 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.832 -3.143 -2.527 1.00 0.00 C ATOM 0 H VAL A 48 2.263 0.297 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 48 4.710 -1.382 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 48 2.553 -1.537 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.143 -3.178 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.906 -1.577 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.296 -2.853 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.437 -3.895 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.641 -3.576 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.038 -2.807 -1.860 1.00 0.00 H new ATOM 354 N SER A 49 3.620 1.248 -3.478 1.00 0.00 N ATOM 355 CA SER A 49 4.194 2.398 -4.216 1.00 0.00 C ATOM 356 C SER A 49 3.142 3.440 -4.564 1.00 0.00 C ATOM 357 O SER A 49 1.959 3.165 -4.653 1.00 0.00 O ATOM 358 CB SER A 49 4.852 1.891 -5.498 1.00 0.00 C ATOM 359 OG SER A 49 6.225 2.254 -5.503 1.00 0.00 O ATOM 0 H SER A 49 2.622 1.289 -3.271 1.00 0.00 H new ATOM 0 HA SER A 49 4.929 2.877 -3.570 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.751 0.808 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.350 2.314 -6.368 1.00 0.00 H new ATOM 0 HG SER A 49 6.438 2.739 -4.678 1.00 0.00 H new ATOM 360 N ALA A 50 3.586 4.646 -4.769 1.00 0.00 N ATOM 361 CA ALA A 50 2.640 5.739 -5.130 1.00 0.00 C ATOM 362 C ALA A 50 3.415 6.878 -5.806 1.00 0.00 C ATOM 363 O ALA A 50 4.627 6.918 -5.759 1.00 0.00 O ATOM 364 CB ALA A 50 1.943 6.244 -3.866 1.00 0.00 C ATOM 0 H ALA A 50 4.565 4.924 -4.702 1.00 0.00 H new ATOM 0 HA ALA A 50 1.886 5.365 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.250 7.044 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.393 5.425 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.688 6.623 -3.167 1.00 0.00 H new ATOM 365 N VAL A 51 2.734 7.796 -6.446 1.00 0.00 N ATOM 366 CA VAL A 51 3.446 8.918 -7.127 1.00 0.00 C ATOM 367 C VAL A 51 2.584 10.178 -7.028 1.00 0.00 C ATOM 368 O VAL A 51 1.870 10.522 -7.943 1.00 0.00 O ATOM 369 CB VAL A 51 3.667 8.557 -8.599 1.00 0.00 C ATOM 370 CG1 VAL A 51 2.316 8.392 -9.299 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.461 9.669 -9.286 1.00 0.00 C ATOM 0 H VAL A 51 1.717 7.816 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 51 4.411 9.094 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 51 4.223 7.621 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.478 8.135 -10.346 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.749 7.597 -8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.757 9.326 -9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.617 9.411 -10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.906 10.605 -9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.426 9.785 -8.793 1.00 0.00 H new ATOM 372 N SER A 52 2.626 10.852 -5.910 1.00 0.00 N ATOM 373 CA SER A 52 1.775 12.070 -5.731 1.00 0.00 C ATOM 374 C SER A 52 2.338 13.280 -6.483 1.00 0.00 C ATOM 375 O SER A 52 3.530 13.400 -6.705 1.00 0.00 O ATOM 376 CB SER A 52 1.687 12.407 -4.246 1.00 0.00 C ATOM 377 OG SER A 52 2.045 11.264 -3.481 1.00 0.00 O ATOM 0 H SER A 52 3.213 10.613 -5.111 1.00 0.00 H new ATOM 0 HA SER A 52 0.789 11.849 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.351 13.239 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.676 12.725 -3.993 1.00 0.00 H new ATOM 0 HG SER A 52 1.991 11.479 -2.526 1.00 0.00 H new ATOM 378 N GLY A 53 1.467 14.184 -6.864 1.00 0.00 N ATOM 379 CA GLY A 53 1.901 15.409 -7.596 1.00 0.00 C ATOM 380 C GLY A 53 2.489 15.002 -8.941 1.00 0.00 C ATOM 381 O GLY A 53 2.324 13.883 -9.382 1.00 0.00 O ATOM 0 H GLY A 53 0.463 14.121 -6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.054 16.079 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.642 15.954 -7.011 1.00 0.00 H new ATOM 382 N SER A 54 3.196 15.889 -9.591 1.00 0.00 N ATOM 383 CA SER A 54 3.810 15.514 -10.892 1.00 0.00 C ATOM 384 C SER A 54 4.502 14.168 -10.696 1.00 0.00 C ATOM 385 O SER A 54 4.672 13.394 -11.617 1.00 0.00 O ATOM 386 CB SER A 54 4.833 16.574 -11.306 1.00 0.00 C ATOM 387 OG SER A 54 5.392 16.221 -12.564 1.00 0.00 O ATOM 0 H SER A 54 3.372 16.844 -9.280 1.00 0.00 H new ATOM 0 HA SER A 54 3.054 15.447 -11.674 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.355 17.552 -11.369 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.619 16.651 -10.555 1.00 0.00 H new ATOM 0 HG SER A 54 6.047 16.899 -12.833 1.00 0.00 H new ATOM 388 N GLY A 55 4.878 13.885 -9.477 1.00 0.00 N ATOM 389 CA GLY A 55 5.535 12.594 -9.162 1.00 0.00 C ATOM 390 C GLY A 55 6.597 12.815 -8.085 1.00 0.00 C ATOM 391 O GLY A 55 7.132 11.877 -7.527 1.00 0.00 O ATOM 0 H GLY A 55 4.753 14.507 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.795 11.872 -8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.992 12.177 -10.059 1.00 0.00 H new ATOM 392 N GLY A 56 6.901 14.050 -7.778 1.00 0.00 N ATOM 393 CA GLY A 56 7.918 14.324 -6.725 1.00 0.00 C ATOM 394 C GLY A 56 7.651 13.406 -5.534 1.00 0.00 C ATOM 395 O GLY A 56 8.562 12.904 -4.906 1.00 0.00 O ATOM 0 H GLY A 56 6.489 14.877 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.921 14.154 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.869 15.368 -6.415 1.00 0.00 H new ATOM 396 N SER A 57 6.403 13.168 -5.232 1.00 0.00 N ATOM 397 CA SER A 57 6.071 12.265 -4.099 1.00 0.00 C ATOM 398 C SER A 57 6.085 10.828 -4.617 1.00 0.00 C ATOM 399 O SER A 57 5.527 10.535 -5.656 1.00 0.00 O ATOM 400 CB SER A 57 4.685 12.615 -3.562 1.00 0.00 C ATOM 401 OG SER A 57 4.822 13.380 -2.371 1.00 0.00 O ATOM 0 H SER A 57 5.600 13.562 -5.723 1.00 0.00 H new ATOM 0 HA SER A 57 6.797 12.377 -3.293 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.125 13.179 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.120 11.705 -3.360 1.00 0.00 H new ATOM 0 HG SER A 57 3.934 13.608 -2.025 1.00 0.00 H new ATOM 402 N THR A 58 6.723 9.933 -3.917 1.00 0.00 N ATOM 403 CA THR A 58 6.781 8.526 -4.395 1.00 0.00 C ATOM 404 C THR A 58 6.727 7.591 -3.197 1.00 0.00 C ATOM 405 O THR A 58 7.154 7.933 -2.112 1.00 0.00 O ATOM 406 CB THR A 58 8.088 8.297 -5.159 1.00 0.00 C ATOM 407 OG1 THR A 58 9.186 8.439 -4.267 1.00 0.00 O ATOM 408 CG2 THR A 58 8.211 9.319 -6.289 1.00 0.00 C ATOM 0 H THR A 58 7.205 10.115 -3.037 1.00 0.00 H new ATOM 0 HA THR A 58 5.937 8.329 -5.056 1.00 0.00 H new ATOM 0 HB THR A 58 8.089 7.293 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.024 8.291 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.142 9.153 -6.830 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.369 9.209 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.209 10.326 -5.871 1.00 0.00 H new ATOM 409 N TYR A 59 6.209 6.414 -3.375 1.00 0.00 N ATOM 410 CA TYR A 59 6.141 5.477 -2.234 1.00 0.00 C ATOM 411 C TYR A 59 6.666 4.114 -2.647 1.00 0.00 C ATOM 412 O TYR A 59 6.675 3.769 -3.813 1.00 0.00 O ATOM 413 CB TYR A 59 4.716 5.366 -1.752 1.00 0.00 C ATOM 414 CG TYR A 59 4.697 5.689 -0.290 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.765 7.021 0.131 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.622 4.656 0.642 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.756 7.317 1.500 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.612 4.945 2.006 1.00 0.00 C ATOM 419 CZ TYR A 59 4.678 6.277 2.439 1.00 0.00 C ATOM 420 OH TYR A 59 4.667 6.564 3.789 1.00 0.00 O ATOM 0 H TYR A 59 5.833 6.064 -4.256 1.00 0.00 H new ATOM 0 HA TYR A 59 6.761 5.856 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.073 6.052 -2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.332 4.361 -1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.824 7.817 -0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.572 3.630 0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.809 8.343 1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.553 4.144 2.728 1.00 0.00 H new ATOM 0 HH TYR A 59 4.608 5.730 4.300 1.00 0.00 H new ATOM 421 N TYR A 60 7.159 3.375 -1.683 1.00 0.00 N ATOM 422 CA TYR A 60 7.769 2.040 -1.949 1.00 0.00 C ATOM 423 C TYR A 60 7.501 1.096 -0.774 1.00 0.00 C ATOM 424 O TYR A 60 8.408 0.732 -0.053 1.00 0.00 O ATOM 425 CB TYR A 60 9.286 2.209 -2.048 1.00 0.00 C ATOM 426 CG TYR A 60 9.646 3.054 -3.239 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.294 4.403 -3.268 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.337 2.485 -4.308 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.630 5.192 -4.370 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.678 3.267 -5.413 1.00 0.00 C ATOM 431 CZ TYR A 60 10.327 4.624 -5.447 1.00 0.00 C ATOM 432 OH TYR A 60 10.663 5.397 -6.539 1.00 0.00 O ATOM 0 H TYR A 60 7.163 3.651 -0.701 1.00 0.00 H new ATOM 0 HA TYR A 60 7.344 1.635 -2.867 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.666 2.673 -1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.762 1.232 -2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.760 4.839 -2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.608 1.440 -4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.354 6.236 -4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.212 2.827 -6.242 1.00 0.00 H new ATOM 0 HH TYR A 60 11.144 4.848 -7.193 1.00 0.00 H new ATOM 433 N ALA A 61 6.287 0.687 -0.565 1.00 0.00 N ATOM 434 CA ALA A 61 6.026 -0.237 0.576 1.00 0.00 C ATOM 435 C ALA A 61 6.523 0.401 1.876 1.00 0.00 C ATOM 436 O ALA A 61 6.792 1.584 1.936 1.00 0.00 O ATOM 437 CB ALA A 61 6.769 -1.549 0.345 1.00 0.00 C ATOM 0 H ALA A 61 5.472 0.945 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 61 4.955 -0.428 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.580 -2.226 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.420 -2.006 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.839 -1.353 0.273 1.00 0.00 H new ATOM 438 N ASP A 62 6.643 -0.373 2.922 1.00 0.00 N ATOM 439 CA ASP A 62 7.118 0.191 4.216 1.00 0.00 C ATOM 440 C ASP A 62 8.555 -0.263 4.485 1.00 0.00 C ATOM 441 O ASP A 62 9.153 0.103 5.477 1.00 0.00 O ATOM 442 CB ASP A 62 6.209 -0.296 5.345 1.00 0.00 C ATOM 443 CG ASP A 62 6.783 0.148 6.693 1.00 0.00 C ATOM 444 OD1 ASP A 62 6.477 1.253 7.110 1.00 0.00 O ATOM 445 OD2 ASP A 62 7.518 -0.625 7.284 1.00 0.00 O ATOM 0 H ASP A 62 6.432 -1.371 2.935 1.00 0.00 H new ATOM 0 HA ASP A 62 7.090 1.280 4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.204 0.106 5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.124 -1.382 5.314 1.00 0.00 H new ATOM 446 N SER A 63 9.115 -1.060 3.614 1.00 0.00 N ATOM 447 CA SER A 63 10.514 -1.533 3.835 1.00 0.00 C ATOM 448 C SER A 63 11.191 -1.795 2.493 1.00 0.00 C ATOM 449 O SER A 63 12.214 -2.447 2.425 1.00 0.00 O ATOM 450 CB SER A 63 10.498 -2.833 4.629 1.00 0.00 C ATOM 451 OG SER A 63 9.298 -2.910 5.388 1.00 0.00 O ATOM 0 H SER A 63 8.668 -1.403 2.764 1.00 0.00 H new ATOM 0 HA SER A 63 11.060 -0.765 4.384 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.569 -3.685 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.363 -2.878 5.291 1.00 0.00 H new ATOM 0 HG SER A 63 9.287 -3.747 5.898 1.00 0.00 H new ATOM 452 N VAL A 64 10.636 -1.310 1.423 1.00 0.00 N ATOM 453 CA VAL A 64 11.268 -1.556 0.102 1.00 0.00 C ATOM 454 C VAL A 64 11.647 -0.220 -0.535 1.00 0.00 C ATOM 455 O VAL A 64 11.687 -0.082 -1.742 1.00 0.00 O ATOM 456 CB VAL A 64 10.305 -2.309 -0.825 1.00 0.00 C ATOM 457 CG1 VAL A 64 11.091 -3.348 -1.625 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.224 -3.027 -0.008 1.00 0.00 C ATOM 0 H VAL A 64 9.779 -0.758 1.404 1.00 0.00 H new ATOM 0 HA VAL A 64 12.160 -2.165 0.248 1.00 0.00 H new ATOM 0 HB VAL A 64 9.829 -1.593 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.413 -3.887 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.856 -2.847 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.566 -4.051 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.550 -3.556 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.694 -3.740 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.659 -2.296 0.570 1.00 0.00 H new ATOM 459 N LYS A 65 11.925 0.769 0.269 1.00 0.00 N ATOM 460 CA LYS A 65 12.305 2.098 -0.288 1.00 0.00 C ATOM 461 C LYS A 65 13.455 1.918 -1.279 1.00 0.00 C ATOM 462 O LYS A 65 14.559 1.571 -0.908 1.00 0.00 O ATOM 463 CB LYS A 65 12.749 3.022 0.849 1.00 0.00 C ATOM 464 CG LYS A 65 13.998 2.444 1.518 1.00 0.00 C ATOM 465 CD LYS A 65 13.793 2.404 3.034 1.00 0.00 C ATOM 466 CE LYS A 65 13.078 1.106 3.418 1.00 0.00 C ATOM 467 NZ LYS A 65 13.173 0.904 4.891 1.00 0.00 N ATOM 0 H LYS A 65 11.905 0.714 1.287 1.00 0.00 H new ATOM 0 HA LYS A 65 11.448 2.540 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.960 4.019 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.948 3.127 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.194 1.441 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.869 3.053 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.755 2.467 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.206 3.264 3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.033 1.150 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.527 0.262 2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.987 -0.094 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.127 1.161 5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.471 1.504 5.370 1.00 0.00 H new ATOM 468 N GLY A 66 13.205 2.146 -2.539 1.00 0.00 N ATOM 469 CA GLY A 66 14.283 1.982 -3.553 1.00 0.00 C ATOM 470 C GLY A 66 14.194 0.585 -4.168 1.00 0.00 C ATOM 471 O GLY A 66 14.426 0.397 -5.345 1.00 0.00 O ATOM 0 H GLY A 66 12.301 2.439 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.185 2.740 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.259 2.126 -3.089 1.00 0.00 H new ATOM 472 N ARG A 67 13.851 -0.397 -3.379 1.00 0.00 N ATOM 473 CA ARG A 67 13.740 -1.781 -3.920 1.00 0.00 C ATOM 474 C ARG A 67 12.325 -1.998 -4.457 1.00 0.00 C ATOM 475 O ARG A 67 11.957 -3.091 -4.839 1.00 0.00 O ATOM 476 CB ARG A 67 14.025 -2.789 -2.804 1.00 0.00 C ATOM 477 CG ARG A 67 15.492 -3.218 -2.872 1.00 0.00 C ATOM 478 CD ARG A 67 15.838 -4.062 -1.643 1.00 0.00 C ATOM 479 NE ARG A 67 17.005 -3.457 -0.941 1.00 0.00 N ATOM 480 CZ ARG A 67 16.813 -2.595 0.022 1.00 0.00 C ATOM 481 NH1 ARG A 67 16.296 -1.426 -0.240 1.00 0.00 N ATOM 482 NH2 ARG A 67 17.140 -2.904 1.247 1.00 0.00 N ATOM 0 H ARG A 67 13.643 -0.301 -2.385 1.00 0.00 H new ATOM 0 HA ARG A 67 14.462 -1.920 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.809 -2.344 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.375 -3.658 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.672 -3.791 -3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.136 -2.340 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.982 -4.114 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.070 -5.084 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 67 17.954 -3.716 -1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.041 -1.184 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.147 -0.754 0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.545 -3.817 1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.991 -2.232 2.000 1.00 0.00 H new ATOM 483 N PHE A 68 11.535 -0.960 -4.498 1.00 0.00 N ATOM 484 CA PHE A 68 10.147 -1.089 -5.017 1.00 0.00 C ATOM 485 C PHE A 68 9.991 -0.087 -6.151 1.00 0.00 C ATOM 486 O PHE A 68 10.776 0.827 -6.274 1.00 0.00 O ATOM 487 CB PHE A 68 9.158 -0.757 -3.895 1.00 0.00 C ATOM 488 CG PHE A 68 8.497 -2.013 -3.374 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.090 -3.263 -3.572 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.282 -1.922 -2.684 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.469 -4.415 -3.085 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.663 -3.076 -2.197 1.00 0.00 C ATOM 493 CZ PHE A 68 7.255 -4.322 -2.397 1.00 0.00 C ATOM 0 H PHE A 68 11.795 -0.022 -4.192 1.00 0.00 H new ATOM 0 HA PHE A 68 9.952 -2.102 -5.370 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.679 -0.251 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.399 -0.068 -4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.028 -3.338 -4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.822 -0.957 -2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.927 -5.380 -3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.726 -3.003 -1.666 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.777 -5.214 -2.021 1.00 0.00 H new ATOM 494 N THR A 69 9.017 -0.234 -6.999 1.00 0.00 N ATOM 495 CA THR A 69 8.902 0.752 -8.107 1.00 0.00 C ATOM 496 C THR A 69 7.448 0.981 -8.511 1.00 0.00 C ATOM 497 O THR A 69 6.706 0.056 -8.782 1.00 0.00 O ATOM 498 CB THR A 69 9.671 0.236 -9.316 1.00 0.00 C ATOM 499 OG1 THR A 69 9.721 1.247 -10.313 1.00 0.00 O ATOM 500 CG2 THR A 69 8.954 -0.991 -9.864 1.00 0.00 C ATOM 0 H THR A 69 8.313 -0.972 -6.978 1.00 0.00 H new ATOM 0 HA THR A 69 9.314 1.699 -7.758 1.00 0.00 H new ATOM 0 HB THR A 69 10.688 -0.029 -9.027 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.217 0.916 -11.090 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.494 -1.371 -10.731 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.913 -1.762 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.941 -0.719 -10.159 1.00 0.00 H new ATOM 501 N ILE A 70 7.056 2.223 -8.595 1.00 0.00 N ATOM 502 CA ILE A 70 5.673 2.554 -9.029 1.00 0.00 C ATOM 503 C ILE A 70 5.659 2.551 -10.559 1.00 0.00 C ATOM 504 O ILE A 70 5.765 3.585 -11.188 1.00 0.00 O ATOM 505 CB ILE A 70 5.308 3.941 -8.513 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.908 4.315 -9.000 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.320 4.941 -9.048 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.861 3.538 -8.199 1.00 0.00 C ATOM 0 H ILE A 70 7.642 3.029 -8.379 1.00 0.00 H new ATOM 0 HA ILE A 70 4.955 1.832 -8.640 1.00 0.00 H new ATOM 0 HB ILE A 70 5.319 3.949 -7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.746 5.387 -8.885 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.809 4.090 -10.062 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.071 5.939 -8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.318 4.669 -8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.298 4.934 -10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.864 3.806 -8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.018 2.468 -8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.954 3.786 -7.142 1.00 0.00 H new ATOM 509 N SER A 71 5.542 1.400 -11.169 1.00 0.00 N ATOM 510 CA SER A 71 5.541 1.356 -12.659 1.00 0.00 C ATOM 511 C SER A 71 4.212 1.905 -13.150 1.00 0.00 C ATOM 512 O SER A 71 3.206 1.775 -12.482 1.00 0.00 O ATOM 513 CB SER A 71 5.712 -0.085 -13.137 1.00 0.00 C ATOM 514 OG SER A 71 7.025 -0.255 -13.657 1.00 0.00 O ATOM 0 H SER A 71 5.448 0.497 -10.704 1.00 0.00 H new ATOM 0 HA SER A 71 6.364 1.953 -13.052 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.543 -0.777 -12.312 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.972 -0.316 -13.903 1.00 0.00 H new ATOM 0 HG SER A 71 7.139 -1.179 -13.963 1.00 0.00 H new ATOM 515 N ARG A 72 4.172 2.526 -14.296 1.00 0.00 N ATOM 516 CA ARG A 72 2.864 3.055 -14.738 1.00 0.00 C ATOM 517 C ARG A 72 2.577 2.741 -16.203 1.00 0.00 C ATOM 518 O ARG A 72 3.443 2.359 -16.966 1.00 0.00 O ATOM 519 CB ARG A 72 2.754 4.568 -14.514 1.00 0.00 C ATOM 520 CG ARG A 72 3.551 5.004 -13.281 1.00 0.00 C ATOM 521 CD ARG A 72 2.575 5.473 -12.199 1.00 0.00 C ATOM 522 NE ARG A 72 2.669 6.954 -12.052 1.00 0.00 N ATOM 523 CZ ARG A 72 3.838 7.531 -11.968 1.00 0.00 C ATOM 524 NH1 ARG A 72 4.895 6.825 -11.672 1.00 0.00 N ATOM 525 NH2 ARG A 72 3.947 8.814 -12.176 1.00 0.00 N ATOM 0 H ARG A 72 4.961 2.684 -14.923 1.00 0.00 H new ATOM 0 HA ARG A 72 2.119 2.550 -14.123 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.122 5.096 -15.394 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.707 4.845 -14.390 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.155 4.176 -12.910 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.239 5.808 -13.542 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.557 5.187 -12.464 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.806 4.987 -11.251 1.00 0.00 H new ATOM 0 HE ARG A 72 1.819 7.517 -12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.809 5.822 -11.506 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.808 7.276 -11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.120 9.366 -12.404 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.859 9.266 -12.111 1.00 0.00 H new ATOM 526 N ASP A 73 1.338 2.910 -16.582 1.00 0.00 N ATOM 527 CA ASP A 73 0.911 2.643 -17.978 1.00 0.00 C ATOM 528 C ASP A 73 -0.053 3.764 -18.398 1.00 0.00 C ATOM 529 O ASP A 73 -1.261 3.649 -18.278 1.00 0.00 O ATOM 530 CB ASP A 73 0.206 1.286 -18.026 1.00 0.00 C ATOM 531 CG ASP A 73 0.833 0.411 -19.113 1.00 0.00 C ATOM 532 OD1 ASP A 73 2.020 0.560 -19.355 1.00 0.00 O ATOM 533 OD2 ASP A 73 0.118 -0.398 -19.681 1.00 0.00 O ATOM 0 H ASP A 73 0.591 3.229 -15.965 1.00 0.00 H new ATOM 0 HA ASP A 73 1.764 2.619 -18.656 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.285 0.791 -17.058 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.856 1.425 -18.227 1.00 0.00 H new ATOM 534 N ASN A 74 0.496 4.859 -18.853 1.00 0.00 N ATOM 535 CA ASN A 74 -0.318 6.042 -19.260 1.00 0.00 C ATOM 536 C ASN A 74 -1.445 5.673 -20.239 1.00 0.00 C ATOM 537 O ASN A 74 -2.609 5.691 -19.896 1.00 0.00 O ATOM 538 CB ASN A 74 0.606 7.046 -19.944 1.00 0.00 C ATOM 539 CG ASN A 74 1.812 7.318 -19.045 1.00 0.00 C ATOM 540 OD1 ASN A 74 2.915 7.497 -19.524 1.00 0.00 O ATOM 541 ND2 ASN A 74 1.649 7.355 -17.752 1.00 0.00 N ATOM 0 H ASN A 74 1.502 4.986 -18.962 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.779 6.456 -18.363 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.936 6.656 -20.907 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.070 7.974 -20.143 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.447 7.534 -17.142 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.724 7.205 -17.350 1.00 0.00 H new ATOM 542 N SER A 75 -1.110 5.393 -21.473 1.00 0.00 N ATOM 543 CA SER A 75 -2.164 5.088 -22.491 1.00 0.00 C ATOM 544 C SER A 75 -2.659 3.642 -22.377 1.00 0.00 C ATOM 545 O SER A 75 -2.941 3.001 -23.369 1.00 0.00 O ATOM 546 CB SER A 75 -1.587 5.315 -23.888 1.00 0.00 C ATOM 547 OG SER A 75 -2.510 6.074 -24.658 1.00 0.00 O ATOM 0 H SER A 75 -0.152 5.362 -21.821 1.00 0.00 H new ATOM 0 HA SER A 75 -3.012 5.749 -22.313 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.634 5.840 -23.820 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.390 4.359 -24.373 1.00 0.00 H new ATOM 0 HG SER A 75 -2.143 6.223 -25.554 1.00 0.00 H new ATOM 548 N LYS A 76 -2.779 3.123 -21.190 1.00 0.00 N ATOM 549 CA LYS A 76 -3.270 1.723 -21.049 1.00 0.00 C ATOM 550 C LYS A 76 -4.368 1.660 -19.983 1.00 0.00 C ATOM 551 O LYS A 76 -5.049 0.664 -19.850 1.00 0.00 O ATOM 552 CB LYS A 76 -2.109 0.817 -20.656 1.00 0.00 C ATOM 553 CG LYS A 76 -0.954 1.013 -21.647 1.00 0.00 C ATOM 554 CD LYS A 76 -0.103 2.218 -21.226 1.00 0.00 C ATOM 555 CE LYS A 76 1.316 2.056 -21.773 1.00 0.00 C ATOM 556 NZ LYS A 76 2.116 3.267 -21.438 1.00 0.00 N ATOM 0 H LYS A 76 -2.561 3.601 -20.316 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.684 1.387 -22.000 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.778 1.049 -19.644 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.430 -0.225 -20.655 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.337 0.115 -21.682 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.348 1.168 -22.652 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.547 3.140 -21.603 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.078 2.297 -20.139 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.783 1.168 -21.346 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.287 1.913 -22.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.770 3.478 -22.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.478 4.075 -21.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.660 3.094 -20.569 1.00 0.00 H new ATOM 557 N ASN A 77 -4.550 2.722 -19.235 1.00 0.00 N ATOM 558 CA ASN A 77 -5.601 2.754 -18.193 1.00 0.00 C ATOM 559 C ASN A 77 -5.066 2.192 -16.874 1.00 0.00 C ATOM 560 O ASN A 77 -5.820 1.726 -16.054 1.00 0.00 O ATOM 561 CB ASN A 77 -6.851 1.980 -18.668 1.00 0.00 C ATOM 562 CG ASN A 77 -6.921 0.581 -18.034 1.00 0.00 C ATOM 563 OD1 ASN A 77 -5.909 -0.058 -17.823 1.00 0.00 O ATOM 564 ND2 ASN A 77 -8.084 0.082 -17.713 1.00 0.00 N ATOM 0 H ASN A 77 -4.000 3.578 -19.311 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.893 3.790 -18.019 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.748 2.543 -18.411 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.833 1.888 -19.754 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.142 -0.842 -17.286 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.935 0.617 -17.889 1.00 0.00 H new ATOM 565 N THR A 78 -3.786 2.248 -16.623 1.00 0.00 N ATOM 566 CA THR A 78 -3.321 1.732 -15.312 1.00 0.00 C ATOM 567 C THR A 78 -1.818 1.896 -15.152 1.00 0.00 C ATOM 568 O THR A 78 -1.111 2.230 -16.074 1.00 0.00 O ATOM 569 CB THR A 78 -3.690 0.260 -15.215 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.060 -0.313 -14.080 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.232 -0.459 -16.482 1.00 0.00 C ATOM 0 H THR A 78 -3.067 2.615 -17.246 1.00 0.00 H new ATOM 0 HA THR A 78 -3.802 2.302 -14.517 1.00 0.00 H new ATOM 0 HB THR A 78 -4.770 0.158 -15.113 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.739 -0.705 -13.492 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.495 -1.515 -16.416 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.722 -0.016 -17.349 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.152 -0.360 -16.586 1.00 0.00 H new ATOM 572 N LEU A 79 -1.341 1.645 -13.968 1.00 0.00 N ATOM 573 CA LEU A 79 0.111 1.754 -13.687 1.00 0.00 C ATOM 574 C LEU A 79 0.524 0.489 -12.935 1.00 0.00 C ATOM 575 O LEU A 79 -0.222 -0.014 -12.136 1.00 0.00 O ATOM 576 CB LEU A 79 0.382 3.000 -12.838 1.00 0.00 C ATOM 577 CG LEU A 79 -0.502 2.967 -11.606 1.00 0.00 C ATOM 578 CD1 LEU A 79 0.134 3.809 -10.496 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.884 3.516 -11.963 1.00 0.00 C ATOM 0 H LEU A 79 -1.909 1.364 -13.169 1.00 0.00 H new ATOM 0 HA LEU A 79 0.684 1.848 -14.609 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.432 3.034 -12.546 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.183 3.901 -13.419 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.606 1.941 -11.252 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.502 3.785 -9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.115 3.404 -10.249 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.242 4.839 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.523 3.494 -11.080 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.788 4.543 -12.316 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.328 2.903 -12.747 1.00 0.00 H new ATOM 580 N TYR A 80 1.667 -0.069 -13.214 1.00 0.00 N ATOM 581 CA TYR A 80 2.036 -1.348 -12.540 1.00 0.00 C ATOM 582 C TYR A 80 2.954 -1.138 -11.344 1.00 0.00 C ATOM 583 O TYR A 80 3.368 -0.039 -11.034 1.00 0.00 O ATOM 584 CB TYR A 80 2.709 -2.257 -13.563 1.00 0.00 C ATOM 585 CG TYR A 80 1.689 -2.694 -14.593 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.943 -1.739 -15.311 1.00 0.00 C ATOM 587 CD2 TYR A 80 1.493 -4.058 -14.837 1.00 0.00 C ATOM 588 CE1 TYR A 80 0.011 -2.160 -16.266 1.00 0.00 C ATOM 589 CE2 TYR A 80 0.558 -4.474 -15.791 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.182 -3.526 -16.506 1.00 0.00 C ATOM 591 OH TYR A 80 -1.102 -3.938 -17.451 1.00 0.00 O ATOM 0 H TYR A 80 2.356 0.298 -13.871 1.00 0.00 H new ATOM 0 HA TYR A 80 1.124 -1.805 -12.155 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.531 -1.731 -14.049 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.137 -3.128 -13.067 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.090 -0.685 -15.125 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.065 -4.791 -14.288 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.561 -1.430 -16.819 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.407 -5.527 -15.976 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.111 -4.917 -17.494 1.00 0.00 H new ATOM 592 N LEU A 81 3.250 -2.210 -10.654 1.00 0.00 N ATOM 593 CA LEU A 81 4.113 -2.128 -9.448 1.00 0.00 C ATOM 594 C LEU A 81 5.112 -3.278 -9.431 1.00 0.00 C ATOM 595 O LEU A 81 4.746 -4.418 -9.220 1.00 0.00 O ATOM 596 CB LEU A 81 3.251 -2.281 -8.186 1.00 0.00 C ATOM 597 CG LEU A 81 2.690 -0.938 -7.716 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.490 -1.002 -6.196 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.655 0.204 -8.003 1.00 0.00 C ATOM 0 H LEU A 81 2.923 -3.149 -10.882 1.00 0.00 H new ATOM 0 HA LEU A 81 4.627 -1.167 -9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.429 -2.968 -8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.848 -2.724 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 81 1.756 -0.756 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.090 -0.052 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.791 -1.803 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.447 -1.197 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.222 1.142 -7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.596 0.024 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.838 0.265 -9.076 1.00 0.00 H new ATOM 600 N GLN A 82 6.370 -2.995 -9.578 1.00 0.00 N ATOM 601 CA GLN A 82 7.362 -4.092 -9.482 1.00 0.00 C ATOM 602 C GLN A 82 7.769 -4.153 -8.014 1.00 0.00 C ATOM 603 O GLN A 82 8.548 -3.338 -7.547 1.00 0.00 O ATOM 604 CB GLN A 82 8.590 -3.816 -10.360 1.00 0.00 C ATOM 605 CG GLN A 82 8.182 -3.046 -11.622 1.00 0.00 C ATOM 606 CD GLN A 82 7.756 -4.039 -12.705 1.00 0.00 C ATOM 607 OE1 GLN A 82 6.702 -3.898 -13.292 1.00 0.00 O ATOM 608 NE2 GLN A 82 8.538 -5.044 -12.996 1.00 0.00 N ATOM 0 H GLN A 82 6.751 -2.066 -9.758 1.00 0.00 H new ATOM 0 HA GLN A 82 6.937 -5.033 -9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.326 -3.241 -9.797 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.065 -4.757 -10.638 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.363 -2.363 -11.396 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.015 -2.439 -11.977 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.423 -5.161 -12.502 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.264 -5.711 -13.717 1.00 0.00 H new ATOM 609 N MET A 83 7.224 -5.075 -7.259 1.00 0.00 N ATOM 610 CA MET A 83 7.582 -5.118 -5.814 1.00 0.00 C ATOM 611 C MET A 83 8.139 -6.491 -5.453 1.00 0.00 C ATOM 612 O MET A 83 7.479 -7.502 -5.596 1.00 0.00 O ATOM 613 CB MET A 83 6.349 -4.812 -4.944 1.00 0.00 C ATOM 614 CG MET A 83 5.062 -4.903 -5.759 1.00 0.00 C ATOM 615 SD MET A 83 3.688 -5.225 -4.628 1.00 0.00 S ATOM 616 CE MET A 83 2.442 -4.243 -5.490 1.00 0.00 C ATOM 0 H MET A 83 6.562 -5.784 -7.574 1.00 0.00 H new ATOM 0 HA MET A 83 8.343 -4.361 -5.624 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.305 -5.514 -4.111 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.442 -3.814 -4.516 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.893 -3.975 -6.305 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.138 -5.699 -6.499 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.163 -3.388 -4.874 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.848 -3.890 -6.438 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.561 -4.857 -5.679 1.00 0.00 H new ATOM 617 N ASN A 84 9.352 -6.531 -4.974 1.00 0.00 N ATOM 618 CA ASN A 84 9.958 -7.831 -4.589 1.00 0.00 C ATOM 619 C ASN A 84 10.189 -7.862 -3.078 1.00 0.00 C ATOM 620 O ASN A 84 9.580 -7.128 -2.326 1.00 0.00 O ATOM 621 CB ASN A 84 11.296 -8.011 -5.312 1.00 0.00 C ATOM 622 CG ASN A 84 12.324 -7.030 -4.745 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.031 -5.868 -4.552 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.528 -7.456 -4.469 1.00 0.00 N ATOM 0 H ASN A 84 9.949 -5.716 -4.833 1.00 0.00 H new ATOM 0 HA ASN A 84 9.283 -8.639 -4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.651 -9.035 -5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.168 -7.842 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.223 -6.812 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.773 -8.433 -4.632 1.00 0.00 H new ATOM 625 N SER A 85 11.062 -8.716 -2.630 1.00 0.00 N ATOM 626 CA SER A 85 11.336 -8.812 -1.169 1.00 0.00 C ATOM 627 C SER A 85 10.096 -9.342 -0.435 1.00 0.00 C ATOM 628 O SER A 85 10.062 -9.392 0.778 1.00 0.00 O ATOM 629 CB SER A 85 11.690 -7.426 -0.631 1.00 0.00 C ATOM 630 OG SER A 85 10.501 -6.768 -0.214 1.00 0.00 O ATOM 0 H SER A 85 11.601 -9.355 -3.214 1.00 0.00 H new ATOM 0 HA SER A 85 12.168 -9.497 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.384 -7.514 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.192 -6.841 -1.402 1.00 0.00 H new ATOM 0 HG SER A 85 9.998 -6.471 -1.001 1.00 0.00 H new ATOM 631 N LEU A 86 9.079 -9.740 -1.154 1.00 0.00 N ATOM 632 CA LEU A 86 7.854 -10.266 -0.485 1.00 0.00 C ATOM 633 C LEU A 86 8.206 -11.552 0.272 1.00 0.00 C ATOM 634 O LEU A 86 9.364 -11.892 0.411 1.00 0.00 O ATOM 635 CB LEU A 86 6.785 -10.556 -1.541 1.00 0.00 C ATOM 636 CG LEU A 86 5.832 -9.364 -1.651 1.00 0.00 C ATOM 637 CD1 LEU A 86 5.254 -9.042 -0.270 1.00 0.00 C ATOM 638 CD2 LEU A 86 6.598 -8.148 -2.179 1.00 0.00 C ATOM 0 H LEU A 86 9.044 -9.723 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 86 7.469 -9.528 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.255 -10.748 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.229 -11.455 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 86 5.020 -9.609 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.575 -8.193 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.710 -9.908 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.065 -8.796 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.921 -7.298 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.409 -7.903 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.010 -8.376 -3.162 1.00 0.00 H new ATOM 639 N ARG A 87 7.231 -12.268 0.777 1.00 0.00 N ATOM 640 CA ARG A 87 7.550 -13.509 1.525 1.00 0.00 C ATOM 641 C ARG A 87 6.518 -14.591 1.234 1.00 0.00 C ATOM 642 O ARG A 87 5.331 -14.362 1.285 1.00 0.00 O ATOM 643 CB ARG A 87 7.547 -13.202 3.021 1.00 0.00 C ATOM 644 CG ARG A 87 8.822 -13.764 3.639 1.00 0.00 C ATOM 645 CD ARG A 87 9.263 -12.874 4.803 1.00 0.00 C ATOM 646 NE ARG A 87 10.466 -13.467 5.453 1.00 0.00 N ATOM 647 CZ ARG A 87 11.612 -12.849 5.391 1.00 0.00 C ATOM 648 NH1 ARG A 87 11.962 -12.232 4.296 1.00 0.00 N ATOM 649 NH2 ARG A 87 12.410 -12.847 6.424 1.00 0.00 N ATOM 0 H ARG A 87 6.239 -12.044 0.701 1.00 0.00 H new ATOM 0 HA ARG A 87 8.531 -13.868 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.490 -12.126 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.671 -13.644 3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.650 -14.781 3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.610 -13.815 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.489 -11.870 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.455 -12.778 5.528 1.00 0.00 H new ATOM 0 HE ARG A 87 10.393 -14.357 5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.339 -12.233 3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.859 -11.748 4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.137 -13.329 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.307 -12.363 6.375 1.00 0.00 H new ATOM 650 N ALA A 88 6.975 -15.784 0.961 1.00 0.00 N ATOM 651 CA ALA A 88 6.034 -16.910 0.709 1.00 0.00 C ATOM 652 C ALA A 88 5.166 -17.087 1.949 1.00 0.00 C ATOM 653 O ALA A 88 4.141 -17.741 1.926 1.00 0.00 O ATOM 654 CB ALA A 88 6.827 -18.193 0.467 1.00 0.00 C ATOM 0 H ALA A 88 7.964 -16.026 0.902 1.00 0.00 H new ATOM 0 HA ALA A 88 5.418 -16.698 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.138 -19.017 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.476 -18.062 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.434 -18.417 1.344 1.00 0.00 H new ATOM 655 N GLU A 89 5.591 -16.515 3.040 1.00 0.00 N ATOM 656 CA GLU A 89 4.835 -16.642 4.304 1.00 0.00 C ATOM 657 C GLU A 89 4.241 -15.283 4.691 1.00 0.00 C ATOM 658 O GLU A 89 4.105 -14.970 5.857 1.00 0.00 O ATOM 659 CB GLU A 89 5.814 -17.098 5.381 1.00 0.00 C ATOM 660 CG GLU A 89 5.087 -17.957 6.413 1.00 0.00 C ATOM 661 CD GLU A 89 5.025 -17.210 7.747 1.00 0.00 C ATOM 662 OE1 GLU A 89 6.074 -16.827 8.239 1.00 0.00 O ATOM 663 OE2 GLU A 89 3.930 -17.034 8.254 1.00 0.00 O ATOM 0 H GLU A 89 6.443 -15.958 3.105 1.00 0.00 H new ATOM 0 HA GLU A 89 4.021 -17.358 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.627 -17.667 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.263 -16.232 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.080 -18.187 6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.605 -18.908 6.540 1.00 0.00 H new ATOM 664 N ASP A 90 3.891 -14.466 3.731 1.00 0.00 N ATOM 665 CA ASP A 90 3.320 -13.137 4.074 1.00 0.00 C ATOM 666 C ASP A 90 2.494 -12.599 2.905 1.00 0.00 C ATOM 667 O ASP A 90 2.664 -11.469 2.491 1.00 0.00 O ATOM 668 CB ASP A 90 4.455 -12.159 4.379 1.00 0.00 C ATOM 669 CG ASP A 90 5.162 -12.581 5.669 1.00 0.00 C ATOM 670 OD1 ASP A 90 4.511 -12.593 6.701 1.00 0.00 O ATOM 671 OD2 ASP A 90 6.341 -12.884 5.603 1.00 0.00 O ATOM 0 H ASP A 90 3.976 -14.662 2.734 1.00 0.00 H new ATOM 0 HA ASP A 90 2.677 -13.244 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.165 -12.141 3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.060 -11.148 4.482 1.00 0.00 H new ATOM 672 N THR A 91 1.589 -13.383 2.377 1.00 0.00 N ATOM 673 CA THR A 91 0.748 -12.882 1.252 1.00 0.00 C ATOM 674 C THR A 91 0.263 -11.481 1.628 1.00 0.00 C ATOM 675 O THR A 91 0.237 -11.133 2.793 1.00 0.00 O ATOM 676 CB THR A 91 -0.444 -13.823 1.055 1.00 0.00 C ATOM 677 OG1 THR A 91 0.025 -15.094 0.626 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.393 -13.249 0.001 1.00 0.00 C ATOM 0 H THR A 91 1.398 -14.340 2.674 1.00 0.00 H new ATOM 0 HA THR A 91 1.315 -12.845 0.322 1.00 0.00 H new ATOM 0 HB THR A 91 -0.979 -13.927 1.999 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.736 -15.698 0.501 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.238 -13.924 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.755 -12.275 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.863 -13.139 -0.945 1.00 0.00 H new ATOM 679 N ALA A 92 -0.093 -10.652 0.684 1.00 0.00 N ATOM 680 CA ALA A 92 -0.527 -9.278 1.084 1.00 0.00 C ATOM 681 C ALA A 92 -1.724 -8.799 0.261 1.00 0.00 C ATOM 682 O ALA A 92 -2.013 -9.307 -0.801 1.00 0.00 O ATOM 683 CB ALA A 92 0.639 -8.308 0.887 1.00 0.00 C ATOM 0 H ALA A 92 -0.104 -10.854 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.829 -9.310 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.330 -7.304 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.481 -8.621 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.939 -8.307 -0.161 1.00 0.00 H new ATOM 684 N VAL A 93 -2.400 -7.792 0.752 1.00 0.00 N ATOM 685 CA VAL A 93 -3.566 -7.220 0.029 1.00 0.00 C ATOM 686 C VAL A 93 -3.289 -5.726 -0.147 1.00 0.00 C ATOM 687 O VAL A 93 -2.764 -5.087 0.743 1.00 0.00 O ATOM 688 CB VAL A 93 -4.842 -7.453 0.843 1.00 0.00 C ATOM 689 CG1 VAL A 93 -6.041 -6.873 0.094 1.00 0.00 C ATOM 690 CG2 VAL A 93 -5.051 -8.958 1.031 1.00 0.00 C ATOM 0 H VAL A 93 -2.186 -7.337 1.639 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.708 -7.693 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.747 -6.966 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.948 -7.040 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.895 -5.803 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.136 -7.362 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.958 -9.130 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.146 -9.437 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.197 -9.381 1.561 1.00 0.00 H new ATOM 691 N TYR A 94 -3.587 -5.172 -1.288 1.00 0.00 N ATOM 692 CA TYR A 94 -3.272 -3.729 -1.525 1.00 0.00 C ATOM 693 C TYR A 94 -4.545 -2.940 -1.880 1.00 0.00 C ATOM 694 O TYR A 94 -5.483 -3.480 -2.424 1.00 0.00 O ATOM 695 CB TYR A 94 -2.307 -3.665 -2.715 1.00 0.00 C ATOM 696 CG TYR A 94 -1.068 -4.493 -2.461 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.652 -4.791 -1.158 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.326 -4.950 -3.548 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.505 -5.547 -0.948 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.829 -5.705 -3.341 1.00 0.00 C ATOM 701 CZ TYR A 94 1.247 -6.007 -2.041 1.00 0.00 C ATOM 702 OH TYR A 94 2.390 -6.753 -1.837 1.00 0.00 O ATOM 0 H TYR A 94 -4.035 -5.652 -2.069 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.839 -3.293 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.809 -4.024 -3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.023 -2.629 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.225 -4.437 -0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.646 -4.719 -4.553 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.826 -5.776 0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.401 -6.057 -4.186 1.00 0.00 H new ATOM 0 HH TYR A 94 3.052 -6.531 -2.524 1.00 0.00 H new ATOM 703 N TYR A 95 -4.578 -1.655 -1.605 1.00 0.00 N ATOM 704 CA TYR A 95 -5.786 -0.852 -1.964 1.00 0.00 C ATOM 705 C TYR A 95 -5.340 0.467 -2.578 1.00 0.00 C ATOM 706 O TYR A 95 -4.655 1.254 -1.957 1.00 0.00 O ATOM 707 CB TYR A 95 -6.616 -0.574 -0.724 1.00 0.00 C ATOM 708 CG TYR A 95 -7.339 -1.828 -0.334 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.622 -2.879 0.234 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.719 -1.943 -0.544 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.283 -4.058 0.598 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.382 -3.121 -0.182 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.664 -4.180 0.391 1.00 0.00 C ATOM 714 OH TYR A 95 -9.314 -5.343 0.748 1.00 0.00 O ATOM 0 H TYR A 95 -3.827 -1.135 -1.152 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.391 -1.411 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.975 -0.239 0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.329 0.227 -0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.558 -2.784 0.393 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.270 -1.125 -0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.729 -4.874 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.446 -3.214 -0.344 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.268 -5.262 0.538 1.00 0.00 H new ATOM 715 N CYS A 96 -5.705 0.707 -3.802 1.00 0.00 N ATOM 716 CA CYS A 96 -5.275 1.961 -4.470 1.00 0.00 C ATOM 717 C CYS A 96 -5.793 3.189 -3.737 1.00 0.00 C ATOM 718 O CYS A 96 -6.418 3.096 -2.700 1.00 0.00 O ATOM 719 CB CYS A 96 -5.782 1.976 -5.905 1.00 0.00 C ATOM 720 SG CYS A 96 -4.594 2.835 -6.969 1.00 0.00 S ATOM 0 H CYS A 96 -6.284 0.088 -4.370 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.186 1.992 -4.458 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -5.929 0.956 -6.259 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.751 2.472 -5.952 1.00 0.00 H new ATOM 721 N ALA A 97 -5.516 4.349 -4.272 1.00 0.00 N ATOM 722 CA ALA A 97 -5.981 5.596 -3.591 1.00 0.00 C ATOM 723 C ALA A 97 -5.261 6.834 -4.146 1.00 0.00 C ATOM 724 O ALA A 97 -4.058 6.840 -4.300 1.00 0.00 O ATOM 725 CB ALA A 97 -5.646 5.486 -2.102 1.00 0.00 C ATOM 0 H ALA A 97 -4.996 4.488 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.053 5.703 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.978 6.387 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.152 4.619 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.569 5.373 -1.979 1.00 0.00 H new ATOM 726 N ARG A 98 -5.979 7.901 -4.402 1.00 0.00 N ATOM 727 CA ARG A 98 -5.304 9.142 -4.897 1.00 0.00 C ATOM 728 C ARG A 98 -5.221 10.140 -3.736 1.00 0.00 C ATOM 729 O ARG A 98 -5.916 10.006 -2.751 1.00 0.00 O ATOM 730 CB ARG A 98 -6.093 9.754 -6.059 1.00 0.00 C ATOM 731 CG ARG A 98 -5.589 9.145 -7.371 1.00 0.00 C ATOM 732 CD ARG A 98 -6.556 9.479 -8.510 1.00 0.00 C ATOM 733 NE ARG A 98 -6.997 10.898 -8.398 1.00 0.00 N ATOM 734 CZ ARG A 98 -7.220 11.596 -9.477 1.00 0.00 C ATOM 735 NH1 ARG A 98 -6.262 11.778 -10.344 1.00 0.00 N ATOM 736 NH2 ARG A 98 -8.401 12.107 -9.694 1.00 0.00 N ATOM 0 H ARG A 98 -6.991 7.967 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.305 8.899 -5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.158 9.558 -5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.967 10.837 -6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.596 9.530 -7.602 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.496 8.064 -7.267 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.070 9.314 -9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.420 8.816 -8.472 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.124 11.323 -7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.340 11.375 -10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.435 12.324 -11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.152 11.961 -9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.573 12.653 -10.538 1.00 0.00 H new ATOM 737 N LEU A 99 -4.378 11.137 -3.822 1.00 0.00 N ATOM 738 CA LEU A 99 -4.284 12.109 -2.683 1.00 0.00 C ATOM 739 C LEU A 99 -4.233 13.551 -3.189 1.00 0.00 C ATOM 740 O LEU A 99 -3.175 14.124 -3.367 1.00 0.00 O ATOM 741 CB LEU A 99 -3.040 11.850 -1.812 1.00 0.00 C ATOM 742 CG LEU A 99 -2.094 10.840 -2.465 1.00 0.00 C ATOM 743 CD1 LEU A 99 -2.773 9.475 -2.526 1.00 0.00 C ATOM 744 CD2 LEU A 99 -1.721 11.306 -3.875 1.00 0.00 C ATOM 0 H LEU A 99 -3.761 11.321 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.180 11.963 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.511 12.788 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.350 11.480 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.183 10.762 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.100 8.754 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.017 9.145 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.688 9.550 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.047 10.581 -4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.624 11.394 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.226 12.276 -3.819 1.00 0.00 H new ATOM 745 N LYS A 100 -5.371 14.153 -3.390 1.00 0.00 N ATOM 746 CA LYS A 100 -5.408 15.572 -3.851 1.00 0.00 C ATOM 747 C LYS A 100 -6.779 16.156 -3.515 1.00 0.00 C ATOM 748 O LYS A 100 -7.230 17.097 -4.131 1.00 0.00 O ATOM 749 CB LYS A 100 -5.183 15.652 -5.363 1.00 0.00 C ATOM 750 CG LYS A 100 -4.339 14.465 -5.824 1.00 0.00 C ATOM 751 CD LYS A 100 -4.281 14.441 -7.350 1.00 0.00 C ATOM 752 CE LYS A 100 -4.401 12.997 -7.843 1.00 0.00 C ATOM 753 NZ LYS A 100 -3.439 12.136 -7.103 1.00 0.00 N ATOM 0 H LYS A 100 -6.285 13.721 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.618 16.134 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.141 15.653 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.682 16.586 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.332 14.540 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.767 13.534 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.087 15.046 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.344 14.878 -7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.418 12.635 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.199 12.949 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.178 11.320 -7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.586 12.685 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.880 11.800 -6.223 1.00 0.00 H new ATOM 754 N LYS A 101 -7.445 15.586 -2.548 1.00 0.00 N ATOM 755 CA LYS A 101 -8.799 16.072 -2.160 1.00 0.00 C ATOM 756 C LYS A 101 -9.735 15.958 -3.361 1.00 0.00 C ATOM 757 O LYS A 101 -10.425 14.971 -3.520 1.00 0.00 O ATOM 758 CB LYS A 101 -8.723 17.522 -1.665 1.00 0.00 C ATOM 759 CG LYS A 101 -9.550 17.664 -0.386 1.00 0.00 C ATOM 760 CD LYS A 101 -8.644 18.109 0.764 1.00 0.00 C ATOM 761 CE LYS A 101 -8.823 17.163 1.952 1.00 0.00 C ATOM 762 NZ LYS A 101 -8.215 15.840 1.631 1.00 0.00 N ATOM 0 H LYS A 101 -7.103 14.794 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.187 15.460 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.686 17.799 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.098 18.200 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.348 18.391 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.026 16.714 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.603 18.111 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.888 19.130 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.353 17.585 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.882 17.043 2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.060 15.307 2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.855 15.305 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.305 15.984 1.148 1.00 0.00 H new ATOM 763 N TYR A 102 -9.752 16.929 -4.234 1.00 0.00 N ATOM 764 CA TYR A 102 -10.625 16.813 -5.427 1.00 0.00 C ATOM 765 C TYR A 102 -10.257 15.518 -6.152 1.00 0.00 C ATOM 766 O TYR A 102 -10.989 15.029 -6.987 1.00 0.00 O ATOM 767 CB TYR A 102 -10.384 18.004 -6.354 1.00 0.00 C ATOM 768 CG TYR A 102 -8.961 17.964 -6.858 1.00 0.00 C ATOM 769 CD1 TYR A 102 -8.623 17.142 -7.941 1.00 0.00 C ATOM 770 CD2 TYR A 102 -7.978 18.749 -6.242 1.00 0.00 C ATOM 771 CE1 TYR A 102 -7.303 17.107 -8.407 1.00 0.00 C ATOM 772 CE2 TYR A 102 -6.658 18.711 -6.707 1.00 0.00 C ATOM 773 CZ TYR A 102 -6.321 17.891 -7.789 1.00 0.00 C ATOM 774 OH TYR A 102 -5.020 17.854 -8.249 1.00 0.00 O ATOM 0 H TYR A 102 -9.204 17.787 -4.171 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.675 16.802 -5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.080 17.974 -7.192 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -10.567 18.937 -5.821 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.380 16.536 -8.416 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.238 19.384 -5.408 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.042 16.475 -9.243 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.900 19.315 -6.230 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.466 18.457 -7.711 1.00 0.00 H new ATOM 775 N ALA A 103 -9.108 14.971 -5.839 1.00 0.00 N ATOM 776 CA ALA A 103 -8.659 13.723 -6.499 1.00 0.00 C ATOM 777 C ALA A 103 -8.628 12.571 -5.492 1.00 0.00 C ATOM 778 O ALA A 103 -7.725 11.759 -5.499 1.00 0.00 O ATOM 779 CB ALA A 103 -7.253 13.949 -7.023 1.00 0.00 C ATOM 0 H ALA A 103 -8.461 15.346 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.345 13.469 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.898 13.043 -7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.259 14.772 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.591 14.195 -6.193 1.00 0.00 H new ATOM 780 N PHE A 104 -9.601 12.481 -4.632 1.00 0.00 N ATOM 781 CA PHE A 104 -9.606 11.366 -3.643 1.00 0.00 C ATOM 782 C PHE A 104 -11.032 10.836 -3.492 1.00 0.00 C ATOM 783 O PHE A 104 -11.899 11.138 -4.286 1.00 0.00 O ATOM 784 CB PHE A 104 -9.096 11.874 -2.294 1.00 0.00 C ATOM 785 CG PHE A 104 -8.212 10.829 -1.646 1.00 0.00 C ATOM 786 CD1 PHE A 104 -8.319 9.480 -2.016 1.00 0.00 C ATOM 787 CD2 PHE A 104 -7.286 11.213 -0.670 1.00 0.00 C ATOM 788 CE1 PHE A 104 -7.501 8.519 -1.407 1.00 0.00 C ATOM 789 CE2 PHE A 104 -6.468 10.253 -0.062 1.00 0.00 C ATOM 790 CZ PHE A 104 -6.576 8.906 -0.430 1.00 0.00 C ATOM 0 H PHE A 104 -10.389 13.126 -4.569 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.955 10.564 -3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.537 12.799 -2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -9.938 12.105 -1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.032 9.182 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.202 12.251 -0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.584 7.480 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.754 10.551 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.946 8.166 0.040 1.00 0.00 H new ATOM 791 N ASP A 105 -11.283 10.048 -2.483 1.00 0.00 N ATOM 792 CA ASP A 105 -12.649 9.498 -2.284 1.00 0.00 C ATOM 793 C ASP A 105 -12.874 8.331 -3.244 1.00 0.00 C ATOM 794 O ASP A 105 -13.956 7.787 -3.329 1.00 0.00 O ATOM 795 CB ASP A 105 -13.692 10.584 -2.553 1.00 0.00 C ATOM 796 CG ASP A 105 -14.959 10.280 -1.754 1.00 0.00 C ATOM 797 OD1 ASP A 105 -14.837 9.725 -0.674 1.00 0.00 O ATOM 798 OD2 ASP A 105 -16.032 10.610 -2.233 1.00 0.00 O ATOM 0 H ASP A 105 -10.596 9.761 -1.786 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.748 9.151 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -13.297 11.560 -2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.922 10.627 -3.618 1.00 0.00 H new ATOM 799 N TYR A 106 -11.860 7.930 -3.966 1.00 0.00 N ATOM 800 CA TYR A 106 -12.043 6.785 -4.903 1.00 0.00 C ATOM 801 C TYR A 106 -11.155 5.624 -4.471 1.00 0.00 C ATOM 802 O TYR A 106 -10.779 5.506 -3.324 1.00 0.00 O ATOM 803 CB TYR A 106 -11.670 7.178 -6.337 1.00 0.00 C ATOM 804 CG TYR A 106 -11.681 8.675 -6.505 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.887 9.384 -6.436 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.483 9.351 -6.752 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.890 10.773 -6.609 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.485 10.736 -6.928 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.689 11.449 -6.857 1.00 0.00 C ATOM 810 OH TYR A 106 -11.693 12.816 -7.028 1.00 0.00 O ATOM 0 H TYR A 106 -10.926 8.340 -3.948 1.00 0.00 H new ATOM 0 HA TYR A 106 -13.093 6.494 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.681 6.788 -6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.372 6.724 -7.037 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.813 8.860 -6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.555 8.802 -6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.818 11.323 -6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.559 11.258 -7.119 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.275 13.244 -6.252 1.00 0.00 H new ATOM 811 N TRP A 107 -10.823 4.769 -5.398 1.00 0.00 N ATOM 812 CA TRP A 107 -9.963 3.596 -5.084 1.00 0.00 C ATOM 813 C TRP A 107 -10.531 2.863 -3.866 1.00 0.00 C ATOM 814 O TRP A 107 -10.414 3.320 -2.748 1.00 0.00 O ATOM 815 CB TRP A 107 -8.547 4.061 -4.776 1.00 0.00 C ATOM 816 CG TRP A 107 -8.089 5.068 -5.790 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.168 6.403 -5.620 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.476 4.865 -7.106 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.616 7.033 -6.709 1.00 0.00 N ATOM 820 CE2 TRP A 107 -7.182 6.133 -7.659 1.00 0.00 C ATOM 821 CE3 TRP A 107 -7.139 3.728 -7.867 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.576 6.266 -8.908 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.525 3.863 -9.124 1.00 0.00 C ATOM 824 CH2 TRP A 107 -6.246 5.129 -9.642 1.00 0.00 C ATOM 0 H TRP A 107 -11.116 4.835 -6.373 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.943 2.925 -5.943 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.511 4.499 -3.779 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.870 3.206 -4.773 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.598 6.899 -4.762 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.537 8.046 -6.803 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.355 2.743 -7.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.363 7.248 -9.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.267 2.982 -9.693 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.776 5.227 -10.609 1.00 0.00 H new ATOM 825 N GLY A 108 -11.149 1.731 -4.063 1.00 0.00 N ATOM 826 CA GLY A 108 -11.718 1.001 -2.900 1.00 0.00 C ATOM 827 C GLY A 108 -12.128 -0.415 -3.312 1.00 0.00 C ATOM 828 O GLY A 108 -13.125 -0.937 -2.855 1.00 0.00 O ATOM 0 H GLY A 108 -11.283 1.285 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.984 0.955 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.583 1.539 -2.512 1.00 0.00 H new ATOM 829 N GLN A 109 -11.364 -1.045 -4.161 1.00 0.00 N ATOM 830 CA GLN A 109 -11.712 -2.430 -4.586 1.00 0.00 C ATOM 831 C GLN A 109 -10.731 -3.410 -3.942 1.00 0.00 C ATOM 832 O GLN A 109 -11.045 -4.560 -3.708 1.00 0.00 O ATOM 833 CB GLN A 109 -11.623 -2.535 -6.110 1.00 0.00 C ATOM 834 CG GLN A 109 -12.980 -2.961 -6.671 1.00 0.00 C ATOM 835 CD GLN A 109 -13.992 -1.833 -6.464 1.00 0.00 C ATOM 836 OE1 GLN A 109 -14.310 -1.483 -5.345 1.00 0.00 O ATOM 837 NE2 GLN A 109 -14.517 -1.243 -7.504 1.00 0.00 N ATOM 0 H GLN A 109 -10.516 -0.662 -4.578 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.728 -2.669 -4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.327 -1.576 -6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.858 -3.258 -6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -12.890 -3.194 -7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -13.323 -3.868 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -14.251 -1.535 -8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -15.193 -0.490 -7.376 1.00 0.00 H new ATOM 838 N GLY A 110 -9.547 -2.953 -3.643 1.00 0.00 N ATOM 839 CA GLY A 110 -8.537 -3.840 -3.001 1.00 0.00 C ATOM 840 C GLY A 110 -7.939 -4.806 -4.027 1.00 0.00 C ATOM 841 O GLY A 110 -8.472 -5.009 -5.100 1.00 0.00 O ATOM 0 H GLY A 110 -9.234 -1.998 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.745 -3.237 -2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.001 -4.403 -2.191 1.00 0.00 H new ATOM 842 N THR A 111 -6.833 -5.412 -3.685 1.00 0.00 N ATOM 843 CA THR A 111 -6.173 -6.381 -4.592 1.00 0.00 C ATOM 844 C THR A 111 -5.190 -7.170 -3.737 1.00 0.00 C ATOM 845 O THR A 111 -5.456 -7.409 -2.576 1.00 0.00 O ATOM 846 CB THR A 111 -5.444 -5.639 -5.713 1.00 0.00 C ATOM 847 OG1 THR A 111 -5.004 -6.572 -6.691 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.245 -4.892 -5.138 1.00 0.00 C ATOM 0 H THR A 111 -6.354 -5.269 -2.796 1.00 0.00 H new ATOM 0 HA THR A 111 -6.897 -7.045 -5.063 1.00 0.00 H new ATOM 0 HB THR A 111 -6.123 -4.924 -6.176 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.777 -7.047 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.727 -4.364 -5.939 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.587 -4.175 -4.392 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.563 -5.603 -4.672 1.00 0.00 H new ATOM 849 N LEU A 112 -4.064 -7.578 -4.250 1.00 0.00 N ATOM 850 CA LEU A 112 -3.143 -8.346 -3.374 1.00 0.00 C ATOM 851 C LEU A 112 -1.883 -8.791 -4.117 1.00 0.00 C ATOM 852 O LEU A 112 -1.510 -8.272 -5.149 1.00 0.00 O ATOM 853 CB LEU A 112 -3.882 -9.600 -2.927 1.00 0.00 C ATOM 854 CG LEU A 112 -4.048 -10.484 -4.153 1.00 0.00 C ATOM 855 CD1 LEU A 112 -3.093 -11.672 -4.046 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.493 -10.980 -4.234 1.00 0.00 C ATOM 0 H LEU A 112 -3.749 -7.419 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.843 -7.710 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.322 -10.121 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.853 -9.344 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.818 -9.915 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.207 -12.310 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.066 -11.310 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.324 -12.245 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.611 -11.614 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.732 -11.554 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.167 -10.127 -4.308 1.00 0.00 H new ATOM 857 N VAL A 113 -1.256 -9.786 -3.561 1.00 0.00 N ATOM 858 CA VAL A 113 -0.027 -10.375 -4.138 1.00 0.00 C ATOM 859 C VAL A 113 0.076 -11.796 -3.590 1.00 0.00 C ATOM 860 O VAL A 113 0.014 -12.004 -2.389 1.00 0.00 O ATOM 861 CB VAL A 113 1.176 -9.565 -3.684 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.304 -8.324 -4.559 1.00 0.00 C ATOM 863 CG2 VAL A 113 0.957 -9.150 -2.231 1.00 0.00 C ATOM 0 H VAL A 113 -1.561 -10.230 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.057 -10.375 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 113 2.087 -10.157 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.166 -7.739 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.437 -8.624 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.401 -7.720 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.811 -8.567 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.052 -8.547 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.851 -10.040 -1.610 1.00 0.00 H new ATOM 864 N THR A 114 0.207 -12.774 -4.441 1.00 0.00 N ATOM 865 CA THR A 114 0.281 -14.171 -3.941 1.00 0.00 C ATOM 866 C THR A 114 1.726 -14.643 -3.948 1.00 0.00 C ATOM 867 O THR A 114 2.252 -15.045 -4.966 1.00 0.00 O ATOM 868 CB THR A 114 -0.556 -15.079 -4.841 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.636 -14.337 -5.393 1.00 0.00 O ATOM 870 CG2 THR A 114 -1.101 -16.239 -4.014 1.00 0.00 C ATOM 0 H THR A 114 0.266 -12.667 -5.454 1.00 0.00 H new ATOM 0 HA THR A 114 -0.106 -14.210 -2.923 1.00 0.00 H new ATOM 0 HB THR A 114 0.064 -15.466 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.171 -14.920 -5.971 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.699 -16.890 -4.651 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.271 -16.806 -3.592 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.722 -15.850 -3.207 1.00 0.00 H new ATOM 871 N VAL A 115 2.377 -14.604 -2.823 1.00 0.00 N ATOM 872 CA VAL A 115 3.786 -15.059 -2.791 1.00 0.00 C ATOM 873 C VAL A 115 3.846 -16.514 -3.250 1.00 0.00 C ATOM 874 O VAL A 115 3.124 -17.358 -2.760 1.00 0.00 O ATOM 875 CB VAL A 115 4.346 -14.948 -1.376 1.00 0.00 C ATOM 876 CG1 VAL A 115 4.498 -13.479 -0.985 1.00 0.00 C ATOM 877 CG2 VAL A 115 3.396 -15.646 -0.400 1.00 0.00 C ATOM 0 H VAL A 115 1.997 -14.280 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 115 4.383 -14.432 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 115 5.325 -15.425 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.898 -13.411 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.179 -12.986 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.525 -12.990 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.793 -15.569 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.416 -15.170 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.301 -16.697 -0.673 1.00 0.00 H new