USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 786 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 32 TYR OH : rot -50:sc= 0.0733 USER MOD Set 1.2: A 40 CYS SG : rot 180:sc= 0.0596 USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0188) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.168 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00385 USER MOD Single : A 10 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.19) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 138:sc= -0.18 (180deg=-1.83) USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 18 MET CE :methyl -176:sc= -0.943 (180deg=-0.986) USER MOD Single : A 20 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.53) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 31 SER OG : rot -97:sc= -0.0202 USER MOD Single : A 43 LYS NZ :NH3+ -116:sc= 0 (180deg=-1) USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00727 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.102 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.61 K(o=-3.6,f=-5.6!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.165 USER MOD Single : A 70 TYR OH : rot 28:sc= 0.614 USER MOD Single : A 72 ASN : amide:sc= -2.93! C(o=-2.9!,f=-3.6!) USER MOD Single : A 78 SER OG : rot 160:sc= -3.88! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.943 USER MOD Single : A 89 SER OG : rot 166:sc= -1.3 USER MOD Single : A 90 THR OG1 : rot 43:sc= 1.14 USER MOD Single : A 96 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.63) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.902 -21.623 4.325 1.00 0.00 N ATOM 2 CA GLY A 1 -24.815 -22.486 3.161 1.00 0.00 C ATOM 3 C GLY A 1 -23.434 -22.477 2.535 1.00 0.00 C ATOM 4 O GLY A 1 -22.909 -23.525 2.159 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.838 -21.728 4.766 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.165 -21.888 5.009 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.765 -20.634 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.074 -23.505 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.548 -22.167 2.420 1.00 0.00 H new ATOM 8 N SER A 2 -22.846 -21.291 2.421 1.00 0.00 N ATOM 9 CA SER A 2 -21.520 -21.149 1.831 1.00 0.00 C ATOM 10 C SER A 2 -20.583 -20.398 2.773 1.00 0.00 C ATOM 11 O SER A 2 -19.425 -20.776 2.947 1.00 0.00 O ATOM 12 CB SER A 2 -21.610 -20.416 0.492 1.00 0.00 C ATOM 13 OG SER A 2 -20.425 -20.589 -0.266 1.00 0.00 O ATOM 0 H SER A 2 -23.267 -20.414 2.729 1.00 0.00 H new ATOM 0 HA SER A 2 -21.115 -22.147 1.664 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.464 -20.789 -0.073 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.782 -19.354 0.666 1.00 0.00 H new ATOM 0 HG SER A 2 -20.509 -20.112 -1.118 1.00 0.00 H new ATOM 19 N SER A 3 -21.095 -19.330 3.378 1.00 0.00 N ATOM 20 CA SER A 3 -20.305 -18.522 4.299 1.00 0.00 C ATOM 21 C SER A 3 -20.146 -19.228 5.642 1.00 0.00 C ATOM 22 O SER A 3 -20.883 -18.959 6.590 1.00 0.00 O ATOM 23 CB SER A 3 -20.961 -17.155 4.504 1.00 0.00 C ATOM 24 OG SER A 3 -20.674 -16.285 3.423 1.00 0.00 O ATOM 0 H SER A 3 -22.053 -19.005 3.247 1.00 0.00 H new ATOM 0 HA SER A 3 -19.316 -18.381 3.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.040 -17.277 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.605 -16.713 5.435 1.00 0.00 H new ATOM 0 HG SER A 3 -21.106 -15.419 3.577 1.00 0.00 H new ATOM 30 N GLY A 4 -19.176 -20.136 5.716 1.00 0.00 N ATOM 31 CA GLY A 4 -18.937 -20.868 6.946 1.00 0.00 C ATOM 32 C GLY A 4 -17.686 -21.720 6.879 1.00 0.00 C ATOM 33 O GLY A 4 -17.703 -22.818 6.322 1.00 0.00 O ATOM 0 H GLY A 4 -18.552 -20.377 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.849 -20.164 7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.796 -21.505 7.159 1.00 0.00 H new ATOM 37 N SER A 5 -16.596 -21.215 7.448 1.00 0.00 N ATOM 38 CA SER A 5 -15.328 -21.936 7.446 1.00 0.00 C ATOM 39 C SER A 5 -14.322 -21.267 8.377 1.00 0.00 C ATOM 40 O SER A 5 -14.348 -20.052 8.568 1.00 0.00 O ATOM 41 CB SER A 5 -14.760 -22.006 6.027 1.00 0.00 C ATOM 42 OG SER A 5 -13.830 -23.068 5.903 1.00 0.00 O ATOM 0 H SER A 5 -16.565 -20.309 7.916 1.00 0.00 H new ATOM 0 HA SER A 5 -15.512 -22.948 7.806 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.572 -22.144 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.274 -21.062 5.779 1.00 0.00 H new ATOM 0 HG SER A 5 -13.482 -23.093 4.987 1.00 0.00 H new ATOM 48 N SER A 6 -13.434 -22.071 8.954 1.00 0.00 N ATOM 49 CA SER A 6 -12.420 -21.559 9.869 1.00 0.00 C ATOM 50 C SER A 6 -11.019 -21.790 9.311 1.00 0.00 C ATOM 51 O SER A 6 -10.821 -22.618 8.423 1.00 0.00 O ATOM 52 CB SER A 6 -12.553 -22.230 11.238 1.00 0.00 C ATOM 53 OG SER A 6 -11.454 -21.907 12.072 1.00 0.00 O ATOM 0 H SER A 6 -13.396 -23.079 8.804 1.00 0.00 H new ATOM 0 HA SER A 6 -12.575 -20.486 9.981 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.481 -21.912 11.714 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.613 -23.311 11.113 1.00 0.00 H new ATOM 0 HG SER A 6 -11.563 -22.346 12.941 1.00 0.00 H new ATOM 59 N GLY A 7 -10.049 -21.051 9.840 1.00 0.00 N ATOM 60 CA GLY A 7 -8.678 -21.188 9.384 1.00 0.00 C ATOM 61 C GLY A 7 -8.278 -20.095 8.413 1.00 0.00 C ATOM 62 O GLY A 7 -8.818 -20.004 7.312 1.00 0.00 O ATOM 0 H GLY A 7 -10.188 -20.359 10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.009 -21.168 10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.553 -22.159 8.905 1.00 0.00 H new ATOM 66 N GLY A 8 -7.328 -19.260 8.824 1.00 0.00 N ATOM 67 CA GLY A 8 -6.874 -18.176 7.972 1.00 0.00 C ATOM 68 C GLY A 8 -5.509 -17.654 8.377 1.00 0.00 C ATOM 69 O GLY A 8 -5.107 -17.776 9.534 1.00 0.00 O ATOM 0 H GLY A 8 -6.865 -19.315 9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.836 -18.521 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.597 -17.361 8.009 1.00 0.00 H new ATOM 73 N THR A 9 -4.793 -17.071 7.420 1.00 0.00 N ATOM 74 CA THR A 9 -3.465 -16.531 7.682 1.00 0.00 C ATOM 75 C THR A 9 -3.545 -15.244 8.496 1.00 0.00 C ATOM 76 O THR A 9 -4.628 -14.698 8.705 1.00 0.00 O ATOM 77 CB THR A 9 -2.705 -16.250 6.372 1.00 0.00 C ATOM 78 OG1 THR A 9 -3.119 -17.172 5.358 1.00 0.00 O ATOM 79 CG2 THR A 9 -1.202 -16.362 6.584 1.00 0.00 C ATOM 0 H THR A 9 -5.111 -16.961 6.457 1.00 0.00 H new ATOM 0 HA THR A 9 -2.924 -17.285 8.253 1.00 0.00 H new ATOM 0 HB THR A 9 -2.936 -15.233 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.632 -16.986 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.686 -16.160 5.645 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.886 -15.639 7.335 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.956 -17.368 6.923 1.00 0.00 H new ATOM 87 N GLN A 10 -2.392 -14.764 8.951 1.00 0.00 N ATOM 88 CA GLN A 10 -2.334 -13.541 9.742 1.00 0.00 C ATOM 89 C GLN A 10 -2.854 -12.351 8.943 1.00 0.00 C ATOM 90 O GLN A 10 -3.705 -11.596 9.416 1.00 0.00 O ATOM 91 CB GLN A 10 -0.899 -13.274 10.202 1.00 0.00 C ATOM 92 CG GLN A 10 -0.568 -13.892 11.550 1.00 0.00 C ATOM 93 CD GLN A 10 -0.645 -15.406 11.534 1.00 0.00 C ATOM 94 OE1 GLN A 10 -1.727 -15.985 11.634 1.00 0.00 O ATOM 95 NE2 GLN A 10 0.506 -16.056 11.406 1.00 0.00 N ATOM 0 H GLN A 10 -1.486 -15.203 8.785 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.970 -13.673 10.617 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.208 -13.663 9.454 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.738 -12.197 10.256 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.435 -13.586 11.849 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.256 -13.505 12.301 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.380 -15.535 11.326 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.516 -17.076 11.387 1.00 0.00 H new ATOM 104 N LEU A 11 -2.338 -12.188 7.730 1.00 0.00 N ATOM 105 CA LEU A 11 -2.750 -11.088 6.864 1.00 0.00 C ATOM 106 C LEU A 11 -4.129 -11.352 6.268 1.00 0.00 C ATOM 107 O LEU A 11 -4.794 -10.435 5.788 1.00 0.00 O ATOM 108 CB LEU A 11 -1.728 -10.885 5.744 1.00 0.00 C ATOM 109 CG LEU A 11 -1.977 -9.694 4.817 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.799 -8.385 5.570 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.046 -9.751 3.615 1.00 0.00 C ATOM 0 H LEU A 11 -1.633 -12.803 7.323 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.803 -10.182 7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.742 -10.769 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.697 -11.791 5.139 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.005 -9.746 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.980 -7.549 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.507 -8.342 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.782 -8.324 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.237 -8.896 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.011 -9.724 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.223 -10.673 3.061 1.00 0.00 H new ATOM 123 N GLU A 12 -4.553 -12.612 6.305 1.00 0.00 N ATOM 124 CA GLU A 12 -5.854 -12.995 5.769 1.00 0.00 C ATOM 125 C GLU A 12 -6.939 -12.870 6.835 1.00 0.00 C ATOM 126 O GLU A 12 -8.103 -12.613 6.525 1.00 0.00 O ATOM 127 CB GLU A 12 -5.809 -14.429 5.238 1.00 0.00 C ATOM 128 CG GLU A 12 -5.379 -14.526 3.783 1.00 0.00 C ATOM 129 CD GLU A 12 -6.202 -13.637 2.871 1.00 0.00 C ATOM 130 OE1 GLU A 12 -7.426 -13.863 2.769 1.00 0.00 O ATOM 131 OE2 GLU A 12 -5.622 -12.715 2.260 1.00 0.00 O ATOM 0 H GLU A 12 -4.015 -13.383 6.700 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.094 -12.319 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.122 -15.013 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.796 -14.879 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.327 -14.251 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.466 -15.560 3.451 1.00 0.00 H new ATOM 138 N LYS A 13 -6.550 -13.054 8.092 1.00 0.00 N ATOM 139 CA LYS A 13 -7.487 -12.962 9.205 1.00 0.00 C ATOM 140 C LYS A 13 -7.771 -11.506 9.558 1.00 0.00 C ATOM 141 O LYS A 13 -8.928 -11.094 9.655 1.00 0.00 O ATOM 142 CB LYS A 13 -6.932 -13.696 10.428 1.00 0.00 C ATOM 143 CG LYS A 13 -6.047 -12.829 11.307 1.00 0.00 C ATOM 144 CD LYS A 13 -5.576 -13.583 12.540 1.00 0.00 C ATOM 145 CE LYS A 13 -6.677 -13.687 13.584 1.00 0.00 C ATOM 146 NZ LYS A 13 -6.125 -13.813 14.961 1.00 0.00 N ATOM 0 H LYS A 13 -5.591 -13.268 8.366 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.422 -13.432 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.763 -14.073 11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.361 -14.562 10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.183 -12.491 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.596 -11.938 11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.249 -14.583 12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.712 -13.076 12.970 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.315 -12.805 13.528 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.306 -14.550 13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.907 -13.881 15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.536 -14.668 15.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.546 -12.978 15.181 1.00 0.00 H new ATOM 160 N LEU A 14 -6.709 -10.730 9.748 1.00 0.00 N ATOM 161 CA LEU A 14 -6.844 -9.318 10.088 1.00 0.00 C ATOM 162 C LEU A 14 -7.619 -8.569 9.009 1.00 0.00 C ATOM 163 O LEU A 14 -8.614 -7.904 9.294 1.00 0.00 O ATOM 164 CB LEU A 14 -5.465 -8.684 10.275 1.00 0.00 C ATOM 165 CG LEU A 14 -5.452 -7.197 10.632 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.458 -7.011 12.142 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.244 -6.510 10.013 1.00 0.00 C ATOM 0 H LEU A 14 -5.745 -11.055 9.672 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.400 -9.247 11.023 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.940 -9.230 11.059 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.897 -8.821 9.355 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.353 -6.738 10.226 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.449 -5.947 12.378 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.355 -7.468 12.561 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.575 -7.485 12.571 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.251 -5.453 10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.331 -6.972 10.389 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.283 -6.613 8.929 1.00 0.00 H new ATOM 179 N MET A 15 -7.156 -8.684 7.768 1.00 0.00 N ATOM 180 CA MET A 15 -7.808 -8.020 6.645 1.00 0.00 C ATOM 181 C MET A 15 -9.282 -8.404 6.567 1.00 0.00 C ATOM 182 O MET A 15 -10.122 -7.597 6.173 1.00 0.00 O ATOM 183 CB MET A 15 -7.105 -8.380 5.335 1.00 0.00 C ATOM 184 CG MET A 15 -5.795 -7.638 5.124 1.00 0.00 C ATOM 185 SD MET A 15 -6.011 -5.849 5.061 1.00 0.00 S ATOM 186 CE MET A 15 -4.700 -5.311 6.156 1.00 0.00 C ATOM 0 H MET A 15 -6.333 -9.230 7.515 1.00 0.00 H new ATOM 0 HA MET A 15 -7.740 -6.944 6.802 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.912 -9.453 5.319 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.774 -8.164 4.502 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.106 -7.889 5.931 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.335 -7.977 4.196 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.202 -4.441 5.728 1.00 0.00 H new ATOM 0 HE2 MET A 15 -5.121 -5.047 7.126 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.977 -6.117 6.282 1.00 0.00 H new ATOM 196 N GLU A 16 -9.587 -9.642 6.946 1.00 0.00 N ATOM 197 CA GLU A 16 -10.960 -10.132 6.917 1.00 0.00 C ATOM 198 C GLU A 16 -11.845 -9.327 7.863 1.00 0.00 C ATOM 199 O GLU A 16 -12.976 -8.980 7.527 1.00 0.00 O ATOM 200 CB GLU A 16 -11.004 -11.614 7.297 1.00 0.00 C ATOM 201 CG GLU A 16 -12.412 -12.152 7.486 1.00 0.00 C ATOM 202 CD GLU A 16 -13.224 -12.124 6.205 1.00 0.00 C ATOM 203 OE1 GLU A 16 -13.384 -11.029 5.628 1.00 0.00 O ATOM 204 OE2 GLU A 16 -13.700 -13.198 5.782 1.00 0.00 O ATOM 0 H GLU A 16 -8.903 -10.322 7.276 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.340 -10.013 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.503 -12.194 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.441 -11.761 8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.359 -13.176 7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.923 -11.564 8.248 1.00 0.00 H new ATOM 211 N ASN A 17 -11.320 -9.034 9.049 1.00 0.00 N ATOM 212 CA ASN A 17 -12.063 -8.270 10.045 1.00 0.00 C ATOM 213 C ASN A 17 -12.256 -6.826 9.591 1.00 0.00 C ATOM 214 O ASN A 17 -13.332 -6.252 9.756 1.00 0.00 O ATOM 215 CB ASN A 17 -11.332 -8.300 11.390 1.00 0.00 C ATOM 216 CG ASN A 17 -11.190 -9.707 11.938 1.00 0.00 C ATOM 217 OD1 ASN A 17 -9.950 -10.159 12.091 1.00 0.00 O flip ATOM 218 ND2 ASN A 17 -12.182 -10.378 12.221 1.00 0.00 N flip ATOM 0 H ASN A 17 -10.384 -9.314 9.343 1.00 0.00 H new ATOM 0 HA ASN A 17 -13.044 -8.730 10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.343 -7.857 11.273 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.874 -7.686 12.109 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.116 -9.990 12.087 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.071 -11.323 12.590 1.00 0.00 H new ATOM 225 N MET A 18 -11.206 -6.246 9.019 1.00 0.00 N ATOM 226 CA MET A 18 -11.261 -4.870 8.540 1.00 0.00 C ATOM 227 C MET A 18 -12.208 -4.746 7.350 1.00 0.00 C ATOM 228 O MET A 18 -13.129 -3.930 7.360 1.00 0.00 O ATOM 229 CB MET A 18 -9.863 -4.388 8.146 1.00 0.00 C ATOM 230 CG MET A 18 -9.820 -2.928 7.725 1.00 0.00 C ATOM 231 SD MET A 18 -8.211 -2.441 7.072 1.00 0.00 S ATOM 232 CE MET A 18 -8.196 -3.328 5.516 1.00 0.00 C ATOM 0 H MET A 18 -10.307 -6.707 8.876 1.00 0.00 H new ATOM 0 HA MET A 18 -11.638 -4.245 9.349 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.186 -4.535 8.988 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.492 -5.005 7.327 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.584 -2.749 6.968 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.066 -2.300 8.581 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.233 -3.185 5.025 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.355 -4.390 5.701 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.991 -2.949 4.873 1.00 0.00 H new ATOM 242 N ARG A 19 -11.974 -5.561 6.326 1.00 0.00 N ATOM 243 CA ARG A 19 -12.805 -5.541 5.129 1.00 0.00 C ATOM 244 C ARG A 19 -14.286 -5.492 5.495 1.00 0.00 C ATOM 245 O ARG A 19 -15.099 -4.936 4.759 1.00 0.00 O ATOM 246 CB ARG A 19 -12.523 -6.772 4.266 1.00 0.00 C ATOM 247 CG ARG A 19 -11.195 -6.709 3.529 1.00 0.00 C ATOM 248 CD ARG A 19 -10.920 -7.994 2.764 1.00 0.00 C ATOM 249 NE ARG A 19 -9.501 -8.156 2.459 1.00 0.00 N ATOM 250 CZ ARG A 19 -8.946 -9.321 2.143 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.686 -10.420 2.091 1.00 0.00 N ATOM 252 NH2 ARG A 19 -7.648 -9.388 1.878 1.00 0.00 N ATOM 0 H ARG A 19 -11.216 -6.243 6.302 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.559 -4.643 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.536 -7.659 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.327 -6.887 3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.201 -5.867 2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.390 -6.530 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.264 -8.846 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.492 -7.993 1.836 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.904 -7.330 2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.684 -10.373 2.294 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.257 -11.313 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.075 -8.545 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.223 -10.283 1.635 1.00 0.00 H new ATOM 266 N ASN A 20 -14.627 -6.079 6.638 1.00 0.00 N ATOM 267 CA ASN A 20 -16.009 -6.102 7.101 1.00 0.00 C ATOM 268 C ASN A 20 -16.492 -4.697 7.447 1.00 0.00 C ATOM 269 O ASN A 20 -17.308 -4.116 6.730 1.00 0.00 O ATOM 270 CB ASN A 20 -16.144 -7.014 8.323 1.00 0.00 C ATOM 271 CG ASN A 20 -16.262 -8.477 7.942 1.00 0.00 C ATOM 272 OD1 ASN A 20 -17.001 -8.833 7.024 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.532 -9.333 8.648 1.00 0.00 N ATOM 0 H ASN A 20 -13.966 -6.544 7.260 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.629 -6.491 6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.278 -6.879 8.971 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.022 -6.719 8.898 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.570 -10.330 8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.933 -8.993 9.400 1.00 0.00 H new ATOM 280 N ASP A 21 -15.982 -4.156 8.547 1.00 0.00 N ATOM 281 CA ASP A 21 -16.359 -2.818 8.987 1.00 0.00 C ATOM 282 C ASP A 21 -16.017 -1.779 7.923 1.00 0.00 C ATOM 283 O ASP A 21 -16.597 -0.693 7.893 1.00 0.00 O ATOM 284 CB ASP A 21 -15.654 -2.472 10.300 1.00 0.00 C ATOM 285 CG ASP A 21 -16.473 -1.537 11.168 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.341 -0.827 10.619 1.00 0.00 O ATOM 287 OD2 ASP A 21 -16.245 -1.514 12.396 1.00 0.00 O ATOM 0 H ASP A 21 -15.306 -4.623 9.151 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.437 -2.806 9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.449 -3.389 10.852 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.691 -2.010 10.081 1.00 0.00 H new ATOM 292 N ILE A 22 -15.072 -2.120 7.053 1.00 0.00 N ATOM 293 CA ILE A 22 -14.653 -1.218 5.988 1.00 0.00 C ATOM 294 C ILE A 22 -15.606 -1.291 4.799 1.00 0.00 C ATOM 295 O ILE A 22 -15.841 -0.294 4.117 1.00 0.00 O ATOM 296 CB ILE A 22 -13.226 -1.538 5.507 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.198 -0.785 6.354 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.070 -1.183 4.036 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.278 0.718 6.207 1.00 0.00 C ATOM 0 H ILE A 22 -14.582 -3.015 7.065 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.670 -0.211 6.404 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.051 -2.608 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.341 -1.047 7.402 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.198 -1.116 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.056 -1.415 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.781 -1.760 3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.261 -0.119 3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.520 1.186 6.836 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.105 0.991 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.266 1.061 6.513 1.00 0.00 H new ATOM 311 N ALA A 23 -16.154 -2.477 4.559 1.00 0.00 N ATOM 312 CA ALA A 23 -17.085 -2.680 3.456 1.00 0.00 C ATOM 313 C ALA A 23 -18.510 -2.326 3.868 1.00 0.00 C ATOM 314 O ALA A 23 -19.373 -2.097 3.020 1.00 0.00 O ATOM 315 CB ALA A 23 -17.017 -4.119 2.966 1.00 0.00 C ATOM 0 H ALA A 23 -15.969 -3.313 5.114 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.795 -2.016 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.717 -4.256 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -16.006 -4.339 2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.279 -4.794 3.781 1.00 0.00 H new ATOM 321 N SER A 24 -18.750 -2.282 5.174 1.00 0.00 N ATOM 322 CA SER A 24 -20.072 -1.960 5.698 1.00 0.00 C ATOM 323 C SER A 24 -20.162 -0.485 6.075 1.00 0.00 C ATOM 324 O SER A 24 -21.219 0.136 5.952 1.00 0.00 O ATOM 325 CB SER A 24 -20.386 -2.830 6.917 1.00 0.00 C ATOM 326 OG SER A 24 -21.784 -2.994 7.080 1.00 0.00 O ATOM 0 H SER A 24 -18.046 -2.465 5.889 1.00 0.00 H new ATOM 0 HA SER A 24 -20.805 -2.163 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.913 -3.805 6.803 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.963 -2.374 7.812 1.00 0.00 H new ATOM 0 HG SER A 24 -21.958 -3.555 7.865 1.00 0.00 H new ATOM 332 N HIS A 25 -19.046 0.072 6.535 1.00 0.00 N ATOM 333 CA HIS A 25 -18.998 1.475 6.929 1.00 0.00 C ATOM 334 C HIS A 25 -17.781 2.168 6.324 1.00 0.00 C ATOM 335 O HIS A 25 -16.978 2.789 7.022 1.00 0.00 O ATOM 336 CB HIS A 25 -18.963 1.598 8.453 1.00 0.00 C ATOM 337 CG HIS A 25 -20.307 1.444 9.096 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.977 2.488 9.699 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.107 0.360 9.228 1.00 0.00 C ATOM 340 CE1 HIS A 25 -22.130 2.053 10.175 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.233 0.765 9.902 1.00 0.00 N ATOM 0 H HIS A 25 -18.163 -0.427 6.644 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.897 1.963 6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.288 0.843 8.855 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.550 2.570 8.722 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -20.899 -0.637 8.870 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.863 2.649 10.698 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.021 0.168 10.151 1.00 0.00 H new ATOM 349 N PRO A 26 -17.638 2.061 4.994 1.00 0.00 N ATOM 350 CA PRO A 26 -16.522 2.671 4.266 1.00 0.00 C ATOM 351 C PRO A 26 -16.300 4.127 4.658 1.00 0.00 C ATOM 352 O PRO A 26 -17.240 4.864 4.960 1.00 0.00 O ATOM 353 CB PRO A 26 -16.956 2.571 2.802 1.00 0.00 C ATOM 354 CG PRO A 26 -17.887 1.409 2.762 1.00 0.00 C ATOM 355 CD PRO A 26 -18.557 1.337 4.100 1.00 0.00 C ATOM 0 HA PRO A 26 -15.576 2.173 4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.449 3.485 2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.100 2.416 2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.624 1.532 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.344 0.487 2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.543 1.801 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.698 0.305 4.422 1.00 0.00 H new ATOM 363 N PRO A 27 -15.029 4.556 4.654 1.00 0.00 N ATOM 364 CA PRO A 27 -14.655 5.929 5.006 1.00 0.00 C ATOM 365 C PRO A 27 -15.102 6.939 3.955 1.00 0.00 C ATOM 366 O PRO A 27 -15.405 6.574 2.819 1.00 0.00 O ATOM 367 CB PRO A 27 -13.127 5.873 5.079 1.00 0.00 C ATOM 368 CG PRO A 27 -12.747 4.738 4.191 1.00 0.00 C ATOM 369 CD PRO A 27 -13.859 3.732 4.305 1.00 0.00 C ATOM 0 HA PRO A 27 -15.128 6.255 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.680 6.808 4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.785 5.708 6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.627 5.072 3.160 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.795 4.304 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.011 3.193 3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.649 2.986 5.072 1.00 0.00 H new ATOM 377 N VAL A 28 -15.139 8.210 4.340 1.00 0.00 N ATOM 378 CA VAL A 28 -15.547 9.274 3.430 1.00 0.00 C ATOM 379 C VAL A 28 -14.376 9.744 2.574 1.00 0.00 C ATOM 380 O VAL A 28 -13.322 10.107 3.094 1.00 0.00 O ATOM 381 CB VAL A 28 -16.124 10.478 4.197 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.326 11.660 3.261 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.430 10.099 4.879 1.00 0.00 C ATOM 0 H VAL A 28 -14.891 8.529 5.277 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.321 8.859 2.785 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.410 10.772 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.734 12.502 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.369 11.945 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.019 11.381 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.824 10.962 5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.153 9.778 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -17.251 9.285 5.581 1.00 0.00 H new ATOM 393 N GLU A 29 -14.570 9.735 1.259 1.00 0.00 N ATOM 394 CA GLU A 29 -13.529 10.160 0.331 1.00 0.00 C ATOM 395 C GLU A 29 -13.166 11.625 0.555 1.00 0.00 C ATOM 396 O GLU A 29 -14.038 12.493 0.596 1.00 0.00 O ATOM 397 CB GLU A 29 -13.986 9.952 -1.114 1.00 0.00 C ATOM 398 CG GLU A 29 -15.093 10.900 -1.545 1.00 0.00 C ATOM 399 CD GLU A 29 -15.701 10.517 -2.880 1.00 0.00 C ATOM 400 OE1 GLU A 29 -15.006 10.646 -3.909 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.875 10.089 -2.895 1.00 0.00 O ATOM 0 H GLU A 29 -15.438 9.438 0.813 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.644 9.551 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.131 10.079 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.332 8.925 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.874 10.911 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.695 11.913 -1.608 1.00 0.00 H new ATOM 408 N GLY A 30 -11.872 11.894 0.700 1.00 0.00 N ATOM 409 CA GLY A 30 -11.416 13.254 0.918 1.00 0.00 C ATOM 410 C GLY A 30 -11.614 13.709 2.351 1.00 0.00 C ATOM 411 O GLY A 30 -11.576 14.904 2.640 1.00 0.00 O ATOM 0 H GLY A 30 -11.131 11.194 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.359 13.325 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.954 13.926 0.249 1.00 0.00 H new ATOM 415 N SER A 31 -11.829 12.753 3.249 1.00 0.00 N ATOM 416 CA SER A 31 -12.040 13.062 4.658 1.00 0.00 C ATOM 417 C SER A 31 -10.727 12.989 5.433 1.00 0.00 C ATOM 418 O SER A 31 -10.439 13.845 6.270 1.00 0.00 O ATOM 419 CB SER A 31 -13.059 12.096 5.267 1.00 0.00 C ATOM 420 OG SER A 31 -12.419 10.950 5.801 1.00 0.00 O ATOM 0 H SER A 31 -11.862 11.758 3.026 1.00 0.00 H new ATOM 0 HA SER A 31 -12.427 14.079 4.727 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.620 12.602 6.052 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.778 11.793 4.506 1.00 0.00 H new ATOM 0 HG SER A 31 -12.454 10.221 5.147 1.00 0.00 H new ATOM 426 N TYR A 32 -9.936 11.961 5.148 1.00 0.00 N ATOM 427 CA TYR A 32 -8.655 11.774 5.818 1.00 0.00 C ATOM 428 C TYR A 32 -7.530 12.452 5.043 1.00 0.00 C ATOM 429 O TYR A 32 -7.396 12.269 3.833 1.00 0.00 O ATOM 430 CB TYR A 32 -8.352 10.283 5.978 1.00 0.00 C ATOM 431 CG TYR A 32 -6.894 9.986 6.245 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.967 9.972 5.210 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.443 9.721 7.532 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.634 9.701 5.450 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.112 9.450 7.781 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.211 9.441 6.737 1.00 0.00 C ATOM 437 OH TYR A 32 -2.883 9.171 6.979 1.00 0.00 O ATOM 0 H TYR A 32 -10.159 11.244 4.457 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.720 12.233 6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.951 9.885 6.797 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.661 9.759 5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.294 10.176 4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.146 9.727 8.352 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.926 9.693 4.634 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.778 9.246 8.788 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.573 8.475 6.363 1.00 0.00 H new ATOM 447 N ALA A 33 -6.722 13.236 5.749 1.00 0.00 N ATOM 448 CA ALA A 33 -5.606 13.940 5.129 1.00 0.00 C ATOM 449 C ALA A 33 -4.299 13.181 5.329 1.00 0.00 C ATOM 450 O ALA A 33 -3.782 13.068 6.441 1.00 0.00 O ATOM 451 CB ALA A 33 -5.492 15.349 5.694 1.00 0.00 C ATOM 0 H ALA A 33 -6.819 13.400 6.751 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.798 14.004 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.655 15.863 5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.413 15.897 5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.326 15.297 6.770 1.00 0.00 H new ATOM 457 N PRO A 34 -3.750 12.646 4.228 1.00 0.00 N ATOM 458 CA PRO A 34 -2.496 11.888 4.257 1.00 0.00 C ATOM 459 C PRO A 34 -1.290 12.774 4.547 1.00 0.00 C ATOM 460 O PRO A 34 -1.165 13.869 3.997 1.00 0.00 O ATOM 461 CB PRO A 34 -2.403 11.303 2.845 1.00 0.00 C ATOM 462 CG PRO A 34 -3.199 12.233 1.996 1.00 0.00 C ATOM 463 CD PRO A 34 -4.312 12.742 2.870 1.00 0.00 C ATOM 0 HA PRO A 34 -2.492 11.136 5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.368 11.247 2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.806 10.291 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.582 13.054 1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.595 11.719 1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.583 13.767 2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.214 12.139 2.765 1.00 0.00 H new ATOM 471 N ARG A 35 -0.403 12.294 5.413 1.00 0.00 N ATOM 472 CA ARG A 35 0.793 13.044 5.776 1.00 0.00 C ATOM 473 C ARG A 35 2.045 12.189 5.598 1.00 0.00 C ATOM 474 O ARG A 35 2.028 10.985 5.853 1.00 0.00 O ATOM 475 CB ARG A 35 0.696 13.530 7.223 1.00 0.00 C ATOM 476 CG ARG A 35 -0.535 14.378 7.500 1.00 0.00 C ATOM 477 CD ARG A 35 -0.428 15.745 6.843 1.00 0.00 C ATOM 478 NE ARG A 35 0.662 16.539 7.403 1.00 0.00 N ATOM 479 CZ ARG A 35 0.600 17.142 8.585 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.494 17.042 9.327 1.00 0.00 N ATOM 481 NH2 ARG A 35 1.635 17.846 9.027 1.00 0.00 N ATOM 0 H ARG A 35 -0.490 11.389 5.876 1.00 0.00 H new ATOM 0 HA ARG A 35 0.866 13.907 5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.689 12.666 7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.587 14.109 7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.423 13.864 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.661 14.499 8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.272 15.621 5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.368 16.282 6.968 1.00 0.00 H new ATOM 0 HE ARG A 35 1.518 16.636 6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.291 16.501 8.991 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.539 17.506 10.234 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.479 17.924 8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.587 18.309 9.935 1.00 0.00 H new ATOM 495 N ARG A 36 3.129 12.821 5.159 1.00 0.00 N ATOM 496 CA ARG A 36 4.388 12.119 4.945 1.00 0.00 C ATOM 497 C ARG A 36 4.849 11.427 6.225 1.00 0.00 C ATOM 498 O ARG A 36 5.374 12.068 7.134 1.00 0.00 O ATOM 499 CB ARG A 36 5.465 13.093 4.463 1.00 0.00 C ATOM 500 CG ARG A 36 6.845 12.468 4.350 1.00 0.00 C ATOM 501 CD ARG A 36 7.682 13.153 3.281 1.00 0.00 C ATOM 502 NE ARG A 36 9.108 13.106 3.588 1.00 0.00 N ATOM 503 CZ ARG A 36 10.060 13.381 2.703 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.738 13.722 1.463 1.00 0.00 N ATOM 505 NH2 ARG A 36 11.337 13.317 3.058 1.00 0.00 N ATOM 0 H ARG A 36 3.160 13.818 4.945 1.00 0.00 H new ATOM 0 HA ARG A 36 4.226 11.360 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.175 13.490 3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.513 13.937 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.355 12.534 5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.747 11.408 4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.503 12.674 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.366 14.192 3.184 1.00 0.00 H new ATOM 0 HE ARG A 36 9.389 12.848 4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.758 13.774 1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.471 13.933 0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.589 13.056 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.067 13.528 2.377 1.00 0.00 H new ATOM 519 N GLY A 37 4.647 10.114 6.287 1.00 0.00 N ATOM 520 CA GLY A 37 5.047 9.357 7.460 1.00 0.00 C ATOM 521 C GLY A 37 3.866 8.953 8.319 1.00 0.00 C ATOM 522 O GLY A 37 4.022 8.676 9.508 1.00 0.00 O ATOM 0 H GLY A 37 4.214 9.561 5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.586 8.463 7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.738 9.953 8.055 1.00 0.00 H new ATOM 526 N GLU A 38 2.681 8.922 7.717 1.00 0.00 N ATOM 527 CA GLU A 38 1.468 8.551 8.438 1.00 0.00 C ATOM 528 C GLU A 38 0.834 7.304 7.829 1.00 0.00 C ATOM 529 O GLU A 38 0.738 7.175 6.608 1.00 0.00 O ATOM 530 CB GLU A 38 0.465 9.707 8.422 1.00 0.00 C ATOM 531 CG GLU A 38 0.621 10.664 9.592 1.00 0.00 C ATOM 532 CD GLU A 38 0.201 10.046 10.911 1.00 0.00 C ATOM 533 OE1 GLU A 38 0.842 9.061 11.335 1.00 0.00 O ATOM 534 OE2 GLU A 38 -0.768 10.545 11.519 1.00 0.00 O ATOM 0 H GLU A 38 2.535 9.149 6.733 1.00 0.00 H new ATOM 0 HA GLU A 38 1.741 8.331 9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.579 10.263 7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.546 9.300 8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.661 10.983 9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.025 11.558 9.408 1.00 0.00 H new ATOM 541 N PHE A 39 0.401 6.388 8.689 1.00 0.00 N ATOM 542 CA PHE A 39 -0.223 5.150 8.237 1.00 0.00 C ATOM 543 C PHE A 39 -1.708 5.361 7.953 1.00 0.00 C ATOM 544 O PHE A 39 -2.348 6.227 8.551 1.00 0.00 O ATOM 545 CB PHE A 39 -0.045 4.051 9.287 1.00 0.00 C ATOM 546 CG PHE A 39 1.367 3.552 9.399 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.843 2.580 8.533 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.219 4.056 10.368 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.142 2.119 8.635 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.519 3.599 10.474 1.00 0.00 C ATOM 551 CZ PHE A 39 3.982 2.630 9.605 1.00 0.00 C ATOM 0 H PHE A 39 0.471 6.480 9.702 1.00 0.00 H new ATOM 0 HA PHE A 39 0.266 4.843 7.313 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.366 4.431 10.257 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.699 3.215 9.040 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.192 2.179 7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.863 4.815 11.049 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.500 1.359 7.956 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.172 3.999 11.235 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.998 2.273 9.684 1.00 0.00 H new ATOM 561 N CYS A 40 -2.247 4.566 7.037 1.00 0.00 N ATOM 562 CA CYS A 40 -3.656 4.666 6.671 1.00 0.00 C ATOM 563 C CYS A 40 -4.046 3.555 5.702 1.00 0.00 C ATOM 564 O CYS A 40 -3.200 2.779 5.258 1.00 0.00 O ATOM 565 CB CYS A 40 -3.946 6.031 6.046 1.00 0.00 C ATOM 566 SG CYS A 40 -2.861 6.455 4.662 1.00 0.00 S ATOM 0 H CYS A 40 -1.731 3.845 6.534 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.251 4.557 7.578 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.980 6.049 5.702 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.853 6.798 6.815 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.185 7.626 4.199 1.00 0.00 H new ATOM 572 N ILE A 41 -5.333 3.484 5.379 1.00 0.00 N ATOM 573 CA ILE A 41 -5.836 2.468 4.462 1.00 0.00 C ATOM 574 C ILE A 41 -6.043 3.042 3.065 1.00 0.00 C ATOM 575 O ILE A 41 -6.580 4.138 2.907 1.00 0.00 O ATOM 576 CB ILE A 41 -7.163 1.867 4.961 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.234 2.955 5.064 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.963 1.184 6.305 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.609 2.420 5.399 1.00 0.00 C ATOM 0 H ILE A 41 -6.047 4.118 5.739 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.084 1.680 4.420 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.499 1.120 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.937 3.675 5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.284 3.495 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.910 0.764 6.644 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.228 0.385 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.607 1.912 7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.317 3.247 5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.927 1.723 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.575 1.905 6.359 1.00 0.00 H new ATOM 591 N ALA A 42 -5.616 2.293 2.054 1.00 0.00 N ATOM 592 CA ALA A 42 -5.759 2.725 0.669 1.00 0.00 C ATOM 593 C ALA A 42 -6.707 1.809 -0.097 1.00 0.00 C ATOM 594 O ALA A 42 -6.723 0.596 0.117 1.00 0.00 O ATOM 595 CB ALA A 42 -4.399 2.770 -0.012 1.00 0.00 C ATOM 0 H ALA A 42 -5.168 1.384 2.168 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.187 3.728 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.520 3.094 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.751 3.471 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.950 1.777 0.007 1.00 0.00 H new ATOM 601 N LYS A 43 -7.496 2.396 -0.990 1.00 0.00 N ATOM 602 CA LYS A 43 -8.447 1.633 -1.790 1.00 0.00 C ATOM 603 C LYS A 43 -7.790 1.106 -3.062 1.00 0.00 C ATOM 604 O LYS A 43 -7.233 1.873 -3.848 1.00 0.00 O ATOM 605 CB LYS A 43 -9.655 2.501 -2.149 1.00 0.00 C ATOM 606 CG LYS A 43 -10.944 1.714 -2.310 1.00 0.00 C ATOM 607 CD LYS A 43 -12.162 2.622 -2.263 1.00 0.00 C ATOM 608 CE LYS A 43 -13.424 1.844 -1.924 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.106 1.334 -3.146 1.00 0.00 N ATOM 0 H LYS A 43 -7.496 3.398 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.782 0.782 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.794 3.254 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.446 3.034 -3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.927 1.176 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.016 0.966 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.005 3.405 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.286 3.117 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.171 1.007 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.107 2.485 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.041 1.781 -3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.534 1.562 -3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.220 0.303 -3.075 1.00 0.00 H new ATOM 623 N PHE A 44 -7.860 -0.206 -3.258 1.00 0.00 N ATOM 624 CA PHE A 44 -7.272 -0.835 -4.436 1.00 0.00 C ATOM 625 C PHE A 44 -8.256 -0.834 -5.601 1.00 0.00 C ATOM 626 O PHE A 44 -9.471 -0.831 -5.403 1.00 0.00 O ATOM 627 CB PHE A 44 -6.846 -2.269 -4.114 1.00 0.00 C ATOM 628 CG PHE A 44 -5.792 -2.803 -5.042 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.586 -2.139 -5.198 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.007 -3.970 -5.758 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.616 -2.628 -6.052 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.040 -4.464 -6.613 1.00 0.00 C ATOM 633 CZ PHE A 44 -3.842 -3.792 -6.759 1.00 0.00 C ATOM 0 H PHE A 44 -8.318 -0.855 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.394 -0.258 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.472 -2.307 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.721 -2.918 -4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.402 -1.229 -4.646 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.941 -4.500 -5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.681 -2.100 -6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.221 -5.374 -7.166 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.084 -4.176 -7.425 1.00 0.00 H new ATOM 643 N VAL A 45 -7.723 -0.837 -6.819 1.00 0.00 N ATOM 644 CA VAL A 45 -8.553 -0.837 -8.018 1.00 0.00 C ATOM 645 C VAL A 45 -9.736 -1.786 -7.866 1.00 0.00 C ATOM 646 O VAL A 45 -10.784 -1.591 -8.483 1.00 0.00 O ATOM 647 CB VAL A 45 -7.741 -1.242 -9.262 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.550 -0.314 -9.448 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.287 -2.690 -9.155 1.00 0.00 C ATOM 0 H VAL A 45 -6.719 -0.839 -7.001 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.921 0.181 -8.149 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.383 -1.151 -10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.988 -0.616 -10.332 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.903 0.710 -9.574 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.905 -0.370 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.715 -2.958 -10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.662 -2.811 -8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.159 -3.340 -9.075 1.00 0.00 H new ATOM 659 N ASP A 46 -9.563 -2.813 -7.042 1.00 0.00 N ATOM 660 CA ASP A 46 -10.618 -3.792 -6.807 1.00 0.00 C ATOM 661 C ASP A 46 -11.484 -3.384 -5.620 1.00 0.00 C ATOM 662 O ASP A 46 -12.048 -4.231 -4.930 1.00 0.00 O ATOM 663 CB ASP A 46 -10.014 -5.175 -6.562 1.00 0.00 C ATOM 664 CG ASP A 46 -9.082 -5.606 -7.678 1.00 0.00 C ATOM 665 OD1 ASP A 46 -9.449 -5.430 -8.858 1.00 0.00 O ATOM 666 OD2 ASP A 46 -7.986 -6.120 -7.370 1.00 0.00 O ATOM 0 H ASP A 46 -8.702 -2.990 -6.525 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.248 -3.831 -7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.468 -5.168 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.816 -5.906 -6.460 1.00 0.00 H new ATOM 671 N GLY A 47 -11.583 -2.078 -5.387 1.00 0.00 N ATOM 672 CA GLY A 47 -12.381 -1.580 -4.281 1.00 0.00 C ATOM 673 C GLY A 47 -12.054 -2.272 -2.973 1.00 0.00 C ATOM 674 O GLY A 47 -12.904 -2.375 -2.089 1.00 0.00 O ATOM 0 H GLY A 47 -11.125 -1.357 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.217 -0.508 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.438 -1.719 -4.508 1.00 0.00 H new ATOM 678 N GLU A 48 -10.819 -2.748 -2.849 1.00 0.00 N ATOM 679 CA GLU A 48 -10.383 -3.435 -1.639 1.00 0.00 C ATOM 680 C GLU A 48 -9.430 -2.560 -0.830 1.00 0.00 C ATOM 681 O GLU A 48 -8.401 -2.112 -1.336 1.00 0.00 O ATOM 682 CB GLU A 48 -9.701 -4.758 -1.995 1.00 0.00 C ATOM 683 CG GLU A 48 -10.672 -5.850 -2.412 1.00 0.00 C ATOM 684 CD GLU A 48 -11.637 -6.227 -1.305 1.00 0.00 C ATOM 685 OE1 GLU A 48 -11.175 -6.456 -0.168 1.00 0.00 O ATOM 686 OE2 GLU A 48 -12.854 -6.293 -1.577 1.00 0.00 O ATOM 0 H GLU A 48 -10.103 -2.670 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.264 -3.641 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.992 -4.585 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.126 -5.103 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.236 -5.516 -3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.111 -6.733 -2.716 1.00 0.00 H new ATOM 693 N TRP A 49 -9.780 -2.322 0.428 1.00 0.00 N ATOM 694 CA TRP A 49 -8.957 -1.500 1.308 1.00 0.00 C ATOM 695 C TRP A 49 -7.765 -2.292 1.835 1.00 0.00 C ATOM 696 O TRP A 49 -7.891 -3.470 2.173 1.00 0.00 O ATOM 697 CB TRP A 49 -9.791 -0.973 2.477 1.00 0.00 C ATOM 698 CG TRP A 49 -10.771 0.088 2.076 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.067 -0.098 1.688 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.532 1.499 2.022 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.648 1.113 1.396 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.728 2.107 1.594 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.426 2.307 2.296 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.845 3.486 1.433 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.543 3.674 2.136 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.746 4.253 1.708 1.00 0.00 C ATOM 0 H TRP A 49 -10.628 -2.686 0.862 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.582 -0.656 0.729 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.331 -1.803 2.932 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.123 -0.571 3.239 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.562 -1.055 1.621 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.609 1.249 1.083 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.495 1.870 2.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.771 3.934 1.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.693 4.308 2.344 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.806 5.325 1.593 1.00 0.00 H new ATOM 717 N TYR A 50 -6.610 -1.640 1.903 1.00 0.00 N ATOM 718 CA TYR A 50 -5.395 -2.285 2.387 1.00 0.00 C ATOM 719 C TYR A 50 -4.544 -1.309 3.193 1.00 0.00 C ATOM 720 O TYR A 50 -4.644 -0.094 3.023 1.00 0.00 O ATOM 721 CB TYR A 50 -4.584 -2.838 1.214 1.00 0.00 C ATOM 722 CG TYR A 50 -5.318 -3.888 0.411 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.472 -5.180 0.896 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.859 -3.586 -0.833 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.141 -6.143 0.165 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.531 -4.542 -1.570 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.669 -5.819 -1.067 1.00 0.00 C ATOM 728 OH TYR A 50 -7.338 -6.774 -1.797 1.00 0.00 O ATOM 0 H TYR A 50 -6.489 -0.665 1.629 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.686 -3.109 3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.308 -2.015 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.657 -3.266 1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.062 -5.437 1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.752 -2.587 -1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.250 -7.144 0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.946 -4.291 -2.535 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.648 -6.383 -2.640 1.00 0.00 H new ATOM 738 N ARG A 51 -3.707 -1.851 4.072 1.00 0.00 N ATOM 739 CA ARG A 51 -2.839 -1.029 4.906 1.00 0.00 C ATOM 740 C ARG A 51 -1.672 -0.473 4.094 1.00 0.00 C ATOM 741 O ARG A 51 -1.021 -1.201 3.346 1.00 0.00 O ATOM 742 CB ARG A 51 -2.309 -1.845 6.087 1.00 0.00 C ATOM 743 CG ARG A 51 -3.250 -1.872 7.280 1.00 0.00 C ATOM 744 CD ARG A 51 -2.491 -2.055 8.585 1.00 0.00 C ATOM 745 NE ARG A 51 -2.341 -3.465 8.937 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.352 -4.232 8.493 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.431 -3.729 7.683 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.284 -5.506 8.859 1.00 0.00 N ATOM 0 H ARG A 51 -3.612 -2.855 4.225 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.427 -0.193 5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.124 -2.867 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.350 -1.433 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.820 -0.943 7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.969 -2.682 7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.506 -1.596 8.499 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.016 -1.535 9.386 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.034 -3.883 9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.481 -2.751 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.328 -4.320 7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.992 -5.896 9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.524 -6.095 8.518 1.00 0.00 H new ATOM 762 N ALA A 52 -1.416 0.822 4.248 1.00 0.00 N ATOM 763 CA ALA A 52 -0.328 1.475 3.530 1.00 0.00 C ATOM 764 C ALA A 52 0.189 2.685 4.301 1.00 0.00 C ATOM 765 O ALA A 52 -0.562 3.340 5.024 1.00 0.00 O ATOM 766 CB ALA A 52 -0.786 1.888 2.140 1.00 0.00 C ATOM 0 H ALA A 52 -1.947 1.439 4.863 1.00 0.00 H new ATOM 0 HA ALA A 52 0.491 0.762 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.036 2.374 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.100 1.005 1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.623 2.581 2.224 1.00 0.00 H new ATOM 772 N ARG A 53 1.476 2.977 4.141 1.00 0.00 N ATOM 773 CA ARG A 53 2.093 4.108 4.824 1.00 0.00 C ATOM 774 C ARG A 53 2.460 5.207 3.831 1.00 0.00 C ATOM 775 O ARG A 53 3.158 4.963 2.847 1.00 0.00 O ATOM 776 CB ARG A 53 3.341 3.654 5.582 1.00 0.00 C ATOM 777 CG ARG A 53 3.987 4.755 6.407 1.00 0.00 C ATOM 778 CD ARG A 53 5.251 4.266 7.098 1.00 0.00 C ATOM 779 NE ARG A 53 5.530 5.013 8.321 1.00 0.00 N ATOM 780 CZ ARG A 53 6.425 4.633 9.226 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.124 3.521 9.046 1.00 0.00 N ATOM 782 NH2 ARG A 53 6.623 5.366 10.314 1.00 0.00 N ATOM 0 H ARG A 53 2.111 2.446 3.545 1.00 0.00 H new ATOM 0 HA ARG A 53 1.371 4.510 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.075 2.827 6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.070 3.271 4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.227 5.600 5.762 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.279 5.115 7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.148 3.207 7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.096 4.359 6.416 1.00 0.00 H new ATOM 0 HE ARG A 53 5.009 5.874 8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.975 2.955 8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.811 3.232 9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.088 6.222 10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.311 5.073 11.008 1.00 0.00 H new ATOM 796 N VAL A 54 1.984 6.420 4.097 1.00 0.00 N ATOM 797 CA VAL A 54 2.262 7.557 3.228 1.00 0.00 C ATOM 798 C VAL A 54 3.763 7.768 3.062 1.00 0.00 C ATOM 799 O VAL A 54 4.478 8.004 4.035 1.00 0.00 O ATOM 800 CB VAL A 54 1.631 8.851 3.777 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.858 10.006 2.815 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.146 8.649 4.039 1.00 0.00 C ATOM 0 H VAL A 54 1.404 6.640 4.907 1.00 0.00 H new ATOM 0 HA VAL A 54 1.820 7.329 2.258 1.00 0.00 H new ATOM 0 HB VAL A 54 2.114 9.097 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.405 10.911 3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.928 10.164 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.403 9.772 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.284 9.573 4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.354 8.378 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.011 7.851 4.769 1.00 0.00 H new ATOM 812 N GLU A 55 4.233 7.682 1.821 1.00 0.00 N ATOM 813 CA GLU A 55 5.650 7.863 1.528 1.00 0.00 C ATOM 814 C GLU A 55 5.939 9.301 1.108 1.00 0.00 C ATOM 815 O GLU A 55 6.949 9.885 1.502 1.00 0.00 O ATOM 816 CB GLU A 55 6.093 6.899 0.426 1.00 0.00 C ATOM 817 CG GLU A 55 5.964 5.434 0.810 1.00 0.00 C ATOM 818 CD GLU A 55 6.811 4.526 -0.060 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.988 4.844 -1.254 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.298 3.497 0.455 1.00 0.00 O ATOM 0 H GLU A 55 3.654 7.488 1.004 1.00 0.00 H new ATOM 0 HA GLU A 55 6.213 7.648 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.498 7.085 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.131 7.108 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.257 5.308 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.919 5.133 0.734 1.00 0.00 H new ATOM 827 N LYS A 56 5.046 9.867 0.303 1.00 0.00 N ATOM 828 CA LYS A 56 5.202 11.236 -0.172 1.00 0.00 C ATOM 829 C LYS A 56 3.862 11.816 -0.613 1.00 0.00 C ATOM 830 O LYS A 56 3.242 11.324 -1.556 1.00 0.00 O ATOM 831 CB LYS A 56 6.197 11.284 -1.334 1.00 0.00 C ATOM 832 CG LYS A 56 5.909 12.388 -2.336 1.00 0.00 C ATOM 833 CD LYS A 56 7.047 12.550 -3.330 1.00 0.00 C ATOM 834 CE LYS A 56 6.595 13.292 -4.579 1.00 0.00 C ATOM 835 NZ LYS A 56 7.739 13.614 -5.477 1.00 0.00 N ATOM 0 H LYS A 56 4.206 9.398 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 56 5.585 11.838 0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.202 11.420 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.186 10.324 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.986 12.163 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.750 13.328 -1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.867 13.092 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.431 11.569 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.869 12.685 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.089 14.213 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.390 14.119 -6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.420 14.214 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.207 12.733 -5.773 1.00 0.00 H new ATOM 849 N VAL A 57 3.421 12.864 0.075 1.00 0.00 N ATOM 850 CA VAL A 57 2.155 13.512 -0.248 1.00 0.00 C ATOM 851 C VAL A 57 2.362 14.669 -1.219 1.00 0.00 C ATOM 852 O VAL A 57 2.832 15.739 -0.834 1.00 0.00 O ATOM 853 CB VAL A 57 1.456 14.039 1.020 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.153 14.737 0.660 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.209 12.905 2.002 1.00 0.00 C ATOM 0 H VAL A 57 3.921 13.282 0.859 1.00 0.00 H new ATOM 0 HA VAL A 57 1.523 12.758 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 57 2.110 14.767 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.327 15.103 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.361 15.576 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.510 14.033 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.715 13.295 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.575 12.151 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.160 12.454 2.284 1.00 0.00 H new ATOM 865 N GLU A 58 2.006 14.446 -2.480 1.00 0.00 N ATOM 866 CA GLU A 58 2.153 15.470 -3.507 1.00 0.00 C ATOM 867 C GLU A 58 0.975 16.440 -3.481 1.00 0.00 C ATOM 868 O GLU A 58 1.135 17.619 -3.167 1.00 0.00 O ATOM 869 CB GLU A 58 2.267 14.825 -4.890 1.00 0.00 C ATOM 870 CG GLU A 58 3.673 14.366 -5.234 1.00 0.00 C ATOM 871 CD GLU A 58 4.595 15.519 -5.581 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.918 16.314 -4.674 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.995 15.625 -6.759 1.00 0.00 O ATOM 0 H GLU A 58 1.614 13.566 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 58 3.066 16.028 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.593 13.970 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.933 15.539 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.088 13.815 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.630 13.674 -6.075 1.00 0.00 H new ATOM 880 N SER A 59 -0.208 15.934 -3.815 1.00 0.00 N ATOM 881 CA SER A 59 -1.413 16.755 -3.834 1.00 0.00 C ATOM 882 C SER A 59 -2.640 15.927 -3.467 1.00 0.00 C ATOM 883 O SER A 59 -2.630 14.697 -3.521 1.00 0.00 O ATOM 884 CB SER A 59 -1.603 17.386 -5.215 1.00 0.00 C ATOM 885 OG SER A 59 -0.357 17.596 -5.856 1.00 0.00 O ATOM 0 H SER A 59 -0.358 14.959 -4.076 1.00 0.00 H new ATOM 0 HA SER A 59 -1.296 17.546 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.228 16.739 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.129 18.336 -5.115 1.00 0.00 H new ATOM 0 HG SER A 59 -0.506 17.999 -6.737 1.00 0.00 H new ATOM 891 N PRO A 60 -3.725 16.616 -3.084 1.00 0.00 N ATOM 892 CA PRO A 60 -4.982 15.966 -2.701 1.00 0.00 C ATOM 893 C PRO A 60 -5.416 14.905 -3.706 1.00 0.00 C ATOM 894 O PRO A 60 -6.249 14.052 -3.402 1.00 0.00 O ATOM 895 CB PRO A 60 -5.986 17.122 -2.677 1.00 0.00 C ATOM 896 CG PRO A 60 -5.162 18.333 -2.406 1.00 0.00 C ATOM 897 CD PRO A 60 -3.809 18.084 -2.997 1.00 0.00 C ATOM 0 HA PRO A 60 -4.895 15.439 -1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.515 17.207 -3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.740 16.975 -1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.619 19.218 -2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.087 18.516 -1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.710 18.549 -3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.017 18.493 -2.369 1.00 0.00 H new ATOM 905 N ALA A 61 -4.845 14.964 -4.905 1.00 0.00 N ATOM 906 CA ALA A 61 -5.171 14.006 -5.954 1.00 0.00 C ATOM 907 C ALA A 61 -4.046 12.994 -6.143 1.00 0.00 C ATOM 908 O ALA A 61 -4.256 11.910 -6.687 1.00 0.00 O ATOM 909 CB ALA A 61 -5.457 14.731 -7.261 1.00 0.00 C ATOM 0 H ALA A 61 -4.155 15.665 -5.174 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.065 13.462 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.699 14.003 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.300 15.409 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.578 15.301 -7.561 1.00 0.00 H new ATOM 915 N LYS A 62 -2.850 13.356 -5.692 1.00 0.00 N ATOM 916 CA LYS A 62 -1.690 12.481 -5.811 1.00 0.00 C ATOM 917 C LYS A 62 -1.023 12.274 -4.455 1.00 0.00 C ATOM 918 O LYS A 62 -0.477 13.211 -3.872 1.00 0.00 O ATOM 919 CB LYS A 62 -0.682 13.067 -6.802 1.00 0.00 C ATOM 920 CG LYS A 62 -1.180 13.085 -8.237 1.00 0.00 C ATOM 921 CD LYS A 62 -0.034 12.952 -9.227 1.00 0.00 C ATOM 922 CE LYS A 62 -0.503 12.358 -10.546 1.00 0.00 C ATOM 923 NZ LYS A 62 0.610 11.704 -11.287 1.00 0.00 N ATOM 0 H LYS A 62 -2.659 14.250 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.033 11.514 -6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.437 14.085 -6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.241 12.489 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.888 12.270 -8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.718 14.014 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.410 13.932 -9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.746 12.322 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.291 11.629 -10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.938 13.144 -11.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.249 11.312 -12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.351 12.405 -11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.009 10.937 -10.708 1.00 0.00 H new ATOM 937 N ILE A 63 -1.071 11.042 -3.959 1.00 0.00 N ATOM 938 CA ILE A 63 -0.469 10.713 -2.673 1.00 0.00 C ATOM 939 C ILE A 63 0.363 9.438 -2.765 1.00 0.00 C ATOM 940 O ILE A 63 -0.178 8.339 -2.892 1.00 0.00 O ATOM 941 CB ILE A 63 -1.539 10.536 -1.580 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.642 11.585 -1.740 1.00 0.00 C ATOM 943 CG2 ILE A 63 -0.907 10.631 -0.199 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.222 12.973 -1.309 1.00 0.00 C ATOM 0 H ILE A 63 -1.520 10.256 -4.428 1.00 0.00 H new ATOM 0 HA ILE A 63 0.179 11.548 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.985 9.547 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.954 11.616 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.511 11.279 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.676 10.504 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.155 9.850 -0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.437 11.607 -0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.053 13.665 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.938 12.957 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.373 13.299 -1.909 1.00 0.00 H new ATOM 956 N HIS A 64 1.681 9.592 -2.700 1.00 0.00 N ATOM 957 CA HIS A 64 2.589 8.452 -2.773 1.00 0.00 C ATOM 958 C HIS A 64 2.513 7.614 -1.501 1.00 0.00 C ATOM 959 O HIS A 64 2.768 8.109 -0.403 1.00 0.00 O ATOM 960 CB HIS A 64 4.024 8.930 -2.998 1.00 0.00 C ATOM 961 CG HIS A 64 4.190 9.770 -4.227 1.00 0.00 C ATOM 962 ND1 HIS A 64 5.084 9.465 -5.232 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.569 10.910 -4.611 1.00 0.00 C ATOM 964 CE1 HIS A 64 5.006 10.382 -6.180 1.00 0.00 C ATOM 965 NE2 HIS A 64 4.094 11.270 -5.828 1.00 0.00 N ATOM 0 H HIS A 64 2.145 10.495 -2.597 1.00 0.00 H new ATOM 0 HA HIS A 64 2.285 7.830 -3.615 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.347 9.504 -2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.680 8.063 -3.069 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.708 8.658 -5.242 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.803 11.438 -4.062 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.589 10.402 -7.089 1.00 0.00 H new ATOM 973 N VAL A 65 2.158 6.342 -1.656 1.00 0.00 N ATOM 974 CA VAL A 65 2.049 5.435 -0.520 1.00 0.00 C ATOM 975 C VAL A 65 2.664 4.077 -0.840 1.00 0.00 C ATOM 976 O VAL A 65 3.010 3.795 -1.987 1.00 0.00 O ATOM 977 CB VAL A 65 0.580 5.235 -0.101 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.078 6.442 0.678 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.291 4.978 -1.321 1.00 0.00 C ATOM 0 H VAL A 65 1.941 5.917 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 65 2.596 5.893 0.304 1.00 0.00 H new ATOM 0 HB VAL A 65 0.521 4.362 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.961 6.283 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.686 6.576 1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.149 7.333 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.325 4.839 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.229 5.830 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.056 4.081 -1.833 1.00 0.00 H new ATOM 989 N PHE A 66 2.796 3.238 0.182 1.00 0.00 N ATOM 990 CA PHE A 66 3.370 1.909 0.011 1.00 0.00 C ATOM 991 C PHE A 66 2.609 0.877 0.839 1.00 0.00 C ATOM 992 O PHE A 66 2.537 0.979 2.064 1.00 0.00 O ATOM 993 CB PHE A 66 4.847 1.912 0.411 1.00 0.00 C ATOM 994 CG PHE A 66 5.403 0.539 0.662 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.347 -0.025 1.926 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.982 -0.186 -0.367 1.00 0.00 C ATOM 997 CE1 PHE A 66 5.858 -1.288 2.160 1.00 0.00 C ATOM 998 CE2 PHE A 66 6.494 -1.450 -0.139 1.00 0.00 C ATOM 999 CZ PHE A 66 6.433 -2.001 1.126 1.00 0.00 C ATOM 0 H PHE A 66 2.513 3.455 1.138 1.00 0.00 H new ATOM 0 HA PHE A 66 3.287 1.638 -1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.428 2.392 -0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.970 2.515 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.899 0.528 2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.034 0.241 -1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.808 -1.717 3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.941 -2.006 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.834 -2.987 1.306 1.00 0.00 H new ATOM 1009 N TYR A 67 2.043 -0.115 0.161 1.00 0.00 N ATOM 1010 CA TYR A 67 1.285 -1.165 0.832 1.00 0.00 C ATOM 1011 C TYR A 67 2.192 -2.006 1.725 1.00 0.00 C ATOM 1012 O TYR A 67 3.055 -2.737 1.238 1.00 0.00 O ATOM 1013 CB TYR A 67 0.591 -2.059 -0.196 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.496 -1.354 -0.976 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.181 -0.449 -1.983 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.838 -1.593 -0.706 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.171 0.197 -2.697 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.835 -0.951 -1.416 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.496 -0.057 -2.410 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.485 0.584 -3.120 1.00 0.00 O ATOM 0 H TYR A 67 2.095 -0.214 -0.853 1.00 0.00 H new ATOM 0 HA TYR A 67 0.530 -0.689 1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.336 -2.443 -0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.160 -2.919 0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.855 -0.248 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.107 -2.292 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.909 0.898 -3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.873 -1.148 -1.194 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.362 0.293 -2.795 1.00 0.00 H new ATOM 1030 N ILE A 68 1.990 -1.898 3.033 1.00 0.00 N ATOM 1031 CA ILE A 68 2.788 -2.649 3.994 1.00 0.00 C ATOM 1032 C ILE A 68 2.244 -4.063 4.173 1.00 0.00 C ATOM 1033 O ILE A 68 2.561 -4.742 5.151 1.00 0.00 O ATOM 1034 CB ILE A 68 2.825 -1.949 5.365 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.504 -2.160 6.107 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.111 -0.464 5.193 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.519 -1.641 7.528 1.00 0.00 C ATOM 0 H ILE A 68 1.280 -1.297 3.452 1.00 0.00 H new ATOM 0 HA ILE A 68 3.800 -2.698 3.593 1.00 0.00 H new ATOM 0 HB ILE A 68 3.627 -2.388 5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.704 -1.665 5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.270 -3.225 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.134 0.018 6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.075 -0.334 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.329 -0.011 4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.550 -1.824 7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.296 -2.154 8.095 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.722 -0.570 7.522 1.00 0.00 H new ATOM 1049 N ASP A 69 1.426 -4.501 3.222 1.00 0.00 N ATOM 1050 CA ASP A 69 0.841 -5.836 3.273 1.00 0.00 C ATOM 1051 C ASP A 69 1.409 -6.721 2.168 1.00 0.00 C ATOM 1052 O ASP A 69 1.648 -7.911 2.373 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.681 -5.753 3.146 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.304 -4.868 4.208 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -0.810 -4.882 5.355 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.285 -4.162 3.892 1.00 0.00 O ATOM 0 H ASP A 69 1.153 -3.952 2.407 1.00 0.00 H new ATOM 0 HA ASP A 69 1.094 -6.281 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.940 -5.369 2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.104 -6.755 3.219 1.00 0.00 H new ATOM 1061 N TYR A 70 1.621 -6.132 0.996 1.00 0.00 N ATOM 1062 CA TYR A 70 2.158 -6.867 -0.143 1.00 0.00 C ATOM 1063 C TYR A 70 3.572 -6.401 -0.475 1.00 0.00 C ATOM 1064 O TYR A 70 4.437 -7.205 -0.820 1.00 0.00 O ATOM 1065 CB TYR A 70 1.251 -6.692 -1.362 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.156 -7.201 -1.149 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.035 -6.537 -0.302 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.608 -8.345 -1.796 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.322 -6.999 -0.103 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -1.893 -8.813 -1.604 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.746 -8.137 -0.757 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.028 -8.600 -0.563 1.00 0.00 O ATOM 0 H TYR A 70 1.429 -5.148 0.810 1.00 0.00 H new ATOM 0 HA TYR A 70 2.197 -7.923 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.210 -5.635 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.693 -7.214 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.707 -5.644 0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.057 -8.877 -2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.992 -6.472 0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.228 -9.704 -2.114 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.616 -7.849 -0.337 1.00 0.00 H new ATOM 1082 N GLY A 71 3.799 -5.096 -0.367 1.00 0.00 N ATOM 1083 CA GLY A 71 5.109 -4.544 -0.658 1.00 0.00 C ATOM 1084 C GLY A 71 5.159 -3.848 -2.004 1.00 0.00 C ATOM 1085 O GLY A 71 6.111 -4.019 -2.764 1.00 0.00 O ATOM 0 H GLY A 71 3.099 -4.411 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.383 -3.836 0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.849 -5.344 -0.638 1.00 0.00 H new ATOM 1089 N ASN A 72 4.129 -3.061 -2.300 1.00 0.00 N ATOM 1090 CA ASN A 72 4.059 -2.339 -3.565 1.00 0.00 C ATOM 1091 C ASN A 72 3.720 -0.869 -3.334 1.00 0.00 C ATOM 1092 O ASN A 72 3.063 -0.520 -2.353 1.00 0.00 O ATOM 1093 CB ASN A 72 3.014 -2.977 -4.483 1.00 0.00 C ATOM 1094 CG ASN A 72 1.644 -3.052 -3.836 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.335 -4.004 -3.120 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.816 -2.044 -4.085 1.00 0.00 N ATOM 0 H ASN A 72 3.333 -2.907 -1.682 1.00 0.00 H new ATOM 0 HA ASN A 72 5.037 -2.397 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.946 -2.402 -5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.339 -3.981 -4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.119 -2.039 -3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.115 -1.275 -4.685 1.00 0.00 H new ATOM 1103 N ARG A 73 4.172 -0.013 -4.245 1.00 0.00 N ATOM 1104 CA ARG A 73 3.917 1.418 -4.140 1.00 0.00 C ATOM 1105 C ARG A 73 2.958 1.881 -5.232 1.00 0.00 C ATOM 1106 O ARG A 73 3.005 1.393 -6.361 1.00 0.00 O ATOM 1107 CB ARG A 73 5.229 2.199 -4.234 1.00 0.00 C ATOM 1108 CG ARG A 73 6.327 1.657 -3.334 1.00 0.00 C ATOM 1109 CD ARG A 73 7.703 2.107 -3.799 1.00 0.00 C ATOM 1110 NE ARG A 73 8.642 2.234 -2.688 1.00 0.00 N ATOM 1111 CZ ARG A 73 9.962 2.249 -2.840 1.00 0.00 C ATOM 1112 NH1 ARG A 73 10.495 2.146 -4.049 1.00 0.00 N ATOM 1113 NH2 ARG A 73 10.751 2.367 -1.780 1.00 0.00 N ATOM 0 H ARG A 73 4.716 -0.286 -5.063 1.00 0.00 H new ATOM 0 HA ARG A 73 3.456 1.609 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.577 2.184 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.041 3.241 -3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.160 1.994 -2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.284 0.568 -3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.093 1.391 -4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.617 3.065 -4.312 1.00 0.00 H new ATOM 0 HE ARG A 73 8.264 2.316 -1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.892 2.055 -4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.509 2.158 -4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.344 2.446 -0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.764 2.378 -1.897 1.00 0.00 H new ATOM 1127 N GLU A 74 2.088 2.825 -4.888 1.00 0.00 N ATOM 1128 CA GLU A 74 1.117 3.352 -5.839 1.00 0.00 C ATOM 1129 C GLU A 74 0.707 4.774 -5.467 1.00 0.00 C ATOM 1130 O GLU A 74 0.420 5.066 -4.306 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.119 2.451 -5.893 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.087 2.811 -7.008 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.638 2.293 -8.360 1.00 0.00 C ATOM 1134 OE1 GLU A 74 0.249 2.922 -8.973 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -1.175 1.257 -8.805 1.00 0.00 O ATOM 0 H GLU A 74 2.036 3.240 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 74 1.586 3.373 -6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.201 1.417 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.641 2.507 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.071 2.404 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.194 3.895 -7.056 1.00 0.00 H new ATOM 1142 N VAL A 75 0.681 5.656 -6.462 1.00 0.00 N ATOM 1143 CA VAL A 75 0.306 7.048 -6.240 1.00 0.00 C ATOM 1144 C VAL A 75 -1.204 7.232 -6.336 1.00 0.00 C ATOM 1145 O VAL A 75 -1.754 7.381 -7.428 1.00 0.00 O ATOM 1146 CB VAL A 75 0.992 7.982 -7.255 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.522 9.416 -7.062 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.505 7.886 -7.129 1.00 0.00 C ATOM 0 H VAL A 75 0.915 5.431 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 75 0.637 7.309 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 75 0.714 7.666 -8.260 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.017 10.062 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.557 9.468 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.769 9.747 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.973 8.552 -7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.805 8.176 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.822 6.861 -7.321 1.00 0.00 H new ATOM 1158 N LEU A 76 -1.870 7.221 -5.187 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.319 7.387 -5.141 1.00 0.00 C ATOM 1160 C LEU A 76 -3.695 8.698 -4.457 1.00 0.00 C ATOM 1161 O LEU A 76 -2.964 9.218 -3.613 1.00 0.00 O ATOM 1162 CB LEU A 76 -3.964 6.212 -4.404 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.486 4.819 -4.815 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.626 3.843 -3.658 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.261 4.325 -6.028 1.00 0.00 C ATOM 0 H LEU A 76 -1.430 7.099 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.690 7.413 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.784 6.336 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.043 6.263 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.432 4.883 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.281 2.857 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.026 4.188 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.672 3.783 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.907 3.332 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.323 4.277 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.109 5.011 -6.861 1.00 0.00 H new ATOM 1177 N PRO A 77 -4.862 9.245 -4.827 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.363 10.501 -4.260 1.00 0.00 C ATOM 1179 C PRO A 77 -5.783 10.351 -2.802 1.00 0.00 C ATOM 1180 O PRO A 77 -5.796 9.246 -2.260 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.576 10.826 -5.135 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.027 9.508 -5.662 1.00 0.00 C ATOM 1183 CD PRO A 77 -5.783 8.680 -5.827 1.00 0.00 C ATOM 0 HA PRO A 77 -4.601 11.280 -4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.362 11.311 -4.557 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.310 11.506 -5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.725 9.031 -4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.547 9.625 -6.613 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.976 7.623 -5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.378 8.759 -6.836 1.00 0.00 H new ATOM 1191 N SER A 78 -6.126 11.470 -2.172 1.00 0.00 N ATOM 1192 CA SER A 78 -6.544 11.464 -0.774 1.00 0.00 C ATOM 1193 C SER A 78 -7.966 10.930 -0.635 1.00 0.00 C ATOM 1194 O SER A 78 -8.513 10.864 0.466 1.00 0.00 O ATOM 1195 CB SER A 78 -6.456 12.873 -0.187 1.00 0.00 C ATOM 1196 OG SER A 78 -5.179 13.110 0.382 1.00 0.00 O ATOM 0 H SER A 78 -6.123 12.393 -2.607 1.00 0.00 H new ATOM 0 HA SER A 78 -5.872 10.807 -0.222 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.652 13.608 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.226 13.002 0.573 1.00 0.00 H new ATOM 0 HG SER A 78 -5.028 14.075 0.457 1.00 0.00 H new ATOM 1202 N THR A 79 -8.562 10.550 -1.761 1.00 0.00 N ATOM 1203 CA THR A 79 -9.921 10.024 -1.767 1.00 0.00 C ATOM 1204 C THR A 79 -9.934 8.531 -1.459 1.00 0.00 C ATOM 1205 O THR A 79 -10.825 8.038 -0.768 1.00 0.00 O ATOM 1206 CB THR A 79 -10.611 10.263 -3.124 1.00 0.00 C ATOM 1207 OG1 THR A 79 -9.792 9.758 -4.185 1.00 0.00 O ATOM 1208 CG2 THR A 79 -10.876 11.745 -3.342 1.00 0.00 C ATOM 0 H THR A 79 -8.124 10.597 -2.681 1.00 0.00 H new ATOM 0 HA THR A 79 -10.469 10.557 -0.991 1.00 0.00 H new ATOM 0 HB THR A 79 -11.565 9.736 -3.120 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.238 9.912 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.364 11.889 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.523 12.120 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.932 12.289 -3.328 1.00 0.00 H new ATOM 1216 N ARG A 80 -8.940 7.817 -1.976 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.838 6.379 -1.756 1.00 0.00 C ATOM 1218 C ARG A 80 -8.192 6.080 -0.406 1.00 0.00 C ATOM 1219 O ARG A 80 -8.083 4.922 -0.001 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.026 5.727 -2.877 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.088 6.483 -4.194 1.00 0.00 C ATOM 1222 CD ARG A 80 -7.851 5.560 -5.379 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.249 6.177 -6.641 1.00 0.00 N ATOM 1224 CZ ARG A 80 -9.503 6.220 -7.075 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -10.477 5.685 -6.352 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -9.786 6.800 -8.235 1.00 0.00 N ATOM 0 H ARG A 80 -8.194 8.210 -2.550 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.846 5.964 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.986 5.648 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.389 4.711 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.062 6.962 -4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.341 7.277 -4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.796 5.291 -5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.410 4.635 -5.236 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.524 6.598 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.264 5.239 -5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.439 5.720 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.040 7.213 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.750 6.832 -8.567 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.766 7.131 0.285 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.130 6.981 1.590 1.00 0.00 C ATOM 1242 C LEU A 81 -8.111 7.305 2.713 1.00 0.00 C ATOM 1243 O LEU A 81 -8.883 8.258 2.622 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.905 7.891 1.690 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.829 7.687 0.622 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.850 8.851 0.622 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.097 6.372 0.846 1.00 0.00 C ATOM 0 H LEU A 81 -7.849 8.096 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.813 5.943 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.242 8.927 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.449 7.747 2.669 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.315 7.647 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.092 8.689 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.386 9.777 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.370 8.923 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.335 6.244 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.623 6.382 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.807 5.547 0.794 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.072 6.505 3.775 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.960 6.724 4.901 1.00 0.00 C ATOM 1261 C GLY A 82 -8.274 6.495 6.233 1.00 0.00 C ATOM 1262 O GLY A 82 -7.122 6.060 6.281 1.00 0.00 O ATOM 0 H GLY A 82 -7.441 5.710 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.344 7.743 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.818 6.057 4.818 1.00 0.00 H new ATOM 1266 N THR A 83 -8.981 6.788 7.320 1.00 0.00 N ATOM 1267 CA THR A 83 -8.433 6.614 8.659 1.00 0.00 C ATOM 1268 C THR A 83 -8.312 5.137 9.016 1.00 0.00 C ATOM 1269 O THR A 83 -9.315 4.433 9.138 1.00 0.00 O ATOM 1270 CB THR A 83 -9.303 7.317 9.718 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.715 8.602 9.240 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.541 7.477 11.025 1.00 0.00 C ATOM 0 H THR A 83 -9.935 7.147 7.299 1.00 0.00 H new ATOM 0 HA THR A 83 -7.441 7.067 8.656 1.00 0.00 H new ATOM 0 HB THR A 83 -10.182 6.699 9.901 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.269 9.041 9.919 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.176 7.976 11.757 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.255 6.495 11.402 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.646 8.075 10.853 1.00 0.00 H new ATOM 1280 N LEU A 84 -7.078 4.673 9.184 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.826 3.278 9.528 1.00 0.00 C ATOM 1282 C LEU A 84 -7.196 3.001 10.981 1.00 0.00 C ATOM 1283 O LEU A 84 -6.639 3.602 11.900 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.355 2.932 9.289 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.859 1.635 9.930 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.600 0.438 9.355 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.358 1.482 9.729 1.00 0.00 C ATOM 0 H LEU A 84 -6.237 5.242 9.088 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.449 2.653 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.187 2.870 8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.744 3.755 9.660 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.060 1.681 11.000 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.234 -0.476 9.823 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.667 0.543 9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.431 0.388 8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.022 0.554 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.134 1.458 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.842 2.324 10.189 1.00 0.00 H new ATOM 1299 N SER A 85 -8.138 2.084 11.182 1.00 0.00 N ATOM 1300 CA SER A 85 -8.584 1.728 12.524 1.00 0.00 C ATOM 1301 C SER A 85 -7.453 1.083 13.319 1.00 0.00 C ATOM 1302 O SER A 85 -6.618 0.355 12.781 1.00 0.00 O ATOM 1303 CB SER A 85 -9.779 0.775 12.451 1.00 0.00 C ATOM 1304 OG SER A 85 -10.151 0.324 13.741 1.00 0.00 O ATOM 0 H SER A 85 -8.607 1.575 10.433 1.00 0.00 H new ATOM 0 HA SER A 85 -8.888 2.642 13.034 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.623 1.280 11.982 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.529 -0.079 11.822 1.00 0.00 H new ATOM 0 HG SER A 85 -10.918 -0.282 13.667 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.423 1.356 14.632 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.400 0.813 15.530 1.00 0.00 C ATOM 1312 C PRO A 86 -6.556 -0.689 15.746 1.00 0.00 C ATOM 1313 O PRO A 86 -5.616 -1.367 16.157 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.640 1.569 16.839 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.075 1.966 16.790 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.386 2.215 15.340 1.00 0.00 C ATOM 0 HA PRO A 86 -5.395 0.939 15.127 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.433 0.939 17.704 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.991 2.441 16.917 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.712 1.180 17.196 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.253 2.861 17.387 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.415 1.949 15.098 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.258 3.265 15.076 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.750 -1.201 15.465 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.028 -2.623 15.627 1.00 0.00 C ATOM 1326 C ALA A 87 -7.454 -3.430 14.467 1.00 0.00 C ATOM 1327 O ALA A 87 -7.014 -4.565 14.646 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.527 -2.857 15.745 1.00 0.00 C ATOM 0 H ALA A 87 -8.540 -0.653 15.124 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.545 -2.961 16.544 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.720 -3.923 15.865 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.912 -2.318 16.611 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.023 -2.498 14.844 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.464 -2.836 13.278 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.945 -3.501 12.088 1.00 0.00 C ATOM 1336 C PHE A 88 -5.565 -2.963 11.722 1.00 0.00 C ATOM 1337 O PHE A 88 -4.909 -3.472 10.813 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.906 -3.311 10.912 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.345 -3.551 11.270 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.732 -4.730 11.887 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.311 -2.599 10.988 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.055 -4.954 12.218 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.636 -2.818 11.316 1.00 0.00 C ATOM 1344 CZ PHE A 88 -12.008 -3.997 11.931 1.00 0.00 C ATOM 0 H PHE A 88 -7.825 -1.897 13.113 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.855 -4.565 12.307 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.800 -2.297 10.526 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.622 -3.989 10.107 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.991 -5.483 12.112 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.026 -1.675 10.506 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.343 -5.876 12.700 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.380 -2.068 11.091 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.043 -4.170 12.187 1.00 0.00 H new ATOM 1354 N SER A 89 -5.130 -1.931 12.438 1.00 0.00 N ATOM 1355 CA SER A 89 -3.829 -1.321 12.187 1.00 0.00 C ATOM 1356 C SER A 89 -2.706 -2.334 12.388 1.00 0.00 C ATOM 1357 O SER A 89 -2.764 -3.175 13.285 1.00 0.00 O ATOM 1358 CB SER A 89 -3.619 -0.120 13.112 1.00 0.00 C ATOM 1359 OG SER A 89 -3.784 -0.487 14.470 1.00 0.00 O ATOM 0 H SER A 89 -5.659 -1.500 13.196 1.00 0.00 H new ATOM 0 HA SER A 89 -3.808 -0.982 11.151 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.620 0.289 12.961 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.327 0.668 12.856 1.00 0.00 H new ATOM 0 HG SER A 89 -3.431 0.223 15.046 1.00 0.00 H new ATOM 1365 N THR A 90 -1.682 -2.248 11.543 1.00 0.00 N ATOM 1366 CA THR A 90 -0.546 -3.156 11.625 1.00 0.00 C ATOM 1367 C THR A 90 -0.050 -3.289 13.061 1.00 0.00 C ATOM 1368 O THR A 90 0.631 -4.255 13.406 1.00 0.00 O ATOM 1369 CB THR A 90 0.618 -2.682 10.734 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.669 -3.654 10.743 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.155 -1.342 11.213 1.00 0.00 C ATOM 0 H THR A 90 -1.617 -1.558 10.794 1.00 0.00 H new ATOM 0 HA THR A 90 -0.892 -4.127 11.272 1.00 0.00 H new ATOM 0 HB THR A 90 0.243 -2.563 9.717 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.284 -4.553 10.675 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.976 -1.028 10.569 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.360 -0.597 11.177 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.515 -1.439 12.237 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.396 -2.313 13.894 1.00 0.00 N ATOM 1380 CA ARG A 91 0.015 -2.321 15.292 1.00 0.00 C ATOM 1381 C ARG A 91 -0.217 -3.692 15.919 1.00 0.00 C ATOM 1382 O ARG A 91 0.473 -4.081 16.862 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.750 -1.254 16.077 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.077 0.109 16.067 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.396 0.897 17.329 1.00 0.00 C ATOM 1386 NE ARG A 91 -1.594 1.717 17.173 1.00 0.00 N ATOM 1387 CZ ARG A 91 -1.924 2.701 18.002 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -1.149 2.986 19.039 1.00 0.00 N ATOM 1389 NH2 ARG A 91 -3.031 3.403 17.794 1.00 0.00 N ATOM 0 H ARG A 91 -0.960 -1.507 13.625 1.00 0.00 H new ATOM 0 HA ARG A 91 1.081 -2.098 15.332 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.753 -1.158 15.661 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.864 -1.586 17.109 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.002 -0.017 15.979 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.405 0.672 15.193 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.534 0.207 18.162 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.450 1.536 17.581 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.211 1.524 16.384 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.297 2.449 19.202 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.405 3.742 19.674 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.630 3.187 16.997 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.283 4.158 18.431 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.195 -4.422 15.390 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.518 -5.750 15.897 1.00 0.00 C ATOM 1405 C VAL A 92 -0.832 -6.834 15.073 1.00 0.00 C ATOM 1406 O VAL A 92 -0.368 -7.839 15.614 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.038 -5.999 15.889 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.384 -7.214 16.737 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.782 -4.767 16.381 1.00 0.00 C ATOM 0 H VAL A 92 -1.777 -4.115 14.610 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.156 -5.794 16.924 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.351 -6.199 14.864 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.462 -7.375 16.720 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.880 -8.093 16.336 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.059 -7.046 17.764 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.855 -4.961 16.369 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.467 -4.534 17.398 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.558 -3.922 15.729 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.771 -6.624 13.763 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.141 -7.584 12.863 1.00 0.00 C ATOM 1421 C LEU A 93 1.017 -6.941 12.106 1.00 0.00 C ATOM 1422 O LEU A 93 0.923 -5.814 11.619 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.168 -8.136 11.874 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.776 -9.422 11.146 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.808 -10.607 12.099 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.696 -9.666 9.959 1.00 0.00 C ATOM 0 H LEU A 93 -1.150 -5.798 13.300 1.00 0.00 H new ATOM 0 HA LEU A 93 0.252 -8.404 13.464 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.099 -8.316 12.411 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.373 -7.368 11.128 1.00 0.00 H new ATOM 0 HG LEU A 93 0.242 -9.309 10.774 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.526 -11.513 11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.107 -10.436 12.916 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.814 -10.722 12.502 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.401 -10.586 9.453 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.724 -9.757 10.308 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.622 -8.830 9.264 1.00 0.00 H new ATOM 1438 N PRO A 94 2.136 -7.674 12.001 1.00 0.00 N ATOM 1439 CA PRO A 94 3.332 -7.197 11.302 1.00 0.00 C ATOM 1440 C PRO A 94 3.128 -7.115 9.793 1.00 0.00 C ATOM 1441 O PRO A 94 2.485 -7.978 9.196 1.00 0.00 O ATOM 1442 CB PRO A 94 4.387 -8.253 11.642 1.00 0.00 C ATOM 1443 CG PRO A 94 3.606 -9.487 11.934 1.00 0.00 C ATOM 1444 CD PRO A 94 2.318 -9.025 12.557 1.00 0.00 C ATOM 0 HA PRO A 94 3.606 -6.187 11.607 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.075 -8.407 10.811 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.987 -7.951 12.501 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.417 -10.054 11.022 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.153 -10.144 12.610 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.488 -9.682 12.297 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.382 -9.007 13.645 1.00 0.00 H new ATOM 1452 N ALA A 95 3.678 -6.071 9.182 1.00 0.00 N ATOM 1453 CA ALA A 95 3.558 -5.879 7.742 1.00 0.00 C ATOM 1454 C ALA A 95 4.179 -7.043 6.978 1.00 0.00 C ATOM 1455 O ALA A 95 5.343 -7.385 7.189 1.00 0.00 O ATOM 1456 CB ALA A 95 4.210 -4.567 7.329 1.00 0.00 C ATOM 0 H ALA A 95 4.211 -5.345 9.662 1.00 0.00 H new ATOM 0 HA ALA A 95 2.497 -5.841 7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.113 -4.436 6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.718 -3.740 7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.266 -4.585 7.599 1.00 0.00 H new ATOM 1462 N GLN A 96 3.395 -7.649 6.092 1.00 0.00 N ATOM 1463 CA GLN A 96 3.869 -8.777 5.299 1.00 0.00 C ATOM 1464 C GLN A 96 4.533 -8.297 4.012 1.00 0.00 C ATOM 1465 O GLN A 96 5.145 -9.081 3.289 1.00 0.00 O ATOM 1466 CB GLN A 96 2.709 -9.718 4.968 1.00 0.00 C ATOM 1467 CG GLN A 96 1.948 -10.199 6.193 1.00 0.00 C ATOM 1468 CD GLN A 96 2.850 -10.851 7.222 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.655 -11.724 6.895 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.722 -10.430 8.474 1.00 0.00 N ATOM 0 H GLN A 96 2.430 -7.378 5.905 1.00 0.00 H new ATOM 0 HA GLN A 96 4.609 -9.318 5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.017 -9.207 4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.096 -10.582 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.433 -9.355 6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.182 -10.910 5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.042 -9.704 8.701 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.303 -10.832 9.209 1.00 0.00 H new ATOM 1479 N ALA A 97 4.406 -7.004 3.734 1.00 0.00 N ATOM 1480 CA ALA A 97 4.995 -6.419 2.536 1.00 0.00 C ATOM 1481 C ALA A 97 6.445 -6.859 2.366 1.00 0.00 C ATOM 1482 O ALA A 97 7.173 -7.028 3.345 1.00 0.00 O ATOM 1483 CB ALA A 97 4.905 -4.901 2.590 1.00 0.00 C ATOM 0 H ALA A 97 3.900 -6.342 4.322 1.00 0.00 H new ATOM 0 HA ALA A 97 4.431 -6.775 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.349 -4.478 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.859 -4.601 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.442 -4.536 3.465 1.00 0.00 H new ATOM 1489 N THR A 98 6.860 -7.044 1.117 1.00 0.00 N ATOM 1490 CA THR A 98 8.223 -7.467 0.819 1.00 0.00 C ATOM 1491 C THR A 98 9.161 -6.270 0.723 1.00 0.00 C ATOM 1492 O THR A 98 10.231 -6.258 1.332 1.00 0.00 O ATOM 1493 CB THR A 98 8.289 -8.263 -0.499 1.00 0.00 C ATOM 1494 OG1 THR A 98 7.826 -9.601 -0.286 1.00 0.00 O ATOM 1495 CG2 THR A 98 9.709 -8.292 -1.043 1.00 0.00 C ATOM 0 H THR A 98 6.272 -6.908 0.295 1.00 0.00 H new ATOM 0 HA THR A 98 8.541 -8.110 1.640 1.00 0.00 H new ATOM 0 HB THR A 98 7.648 -7.769 -1.229 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.869 -10.100 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.731 -8.859 -1.973 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.047 -7.273 -1.231 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.368 -8.764 -0.315 1.00 0.00 H new ATOM 1503 N GLU A 99 8.754 -5.263 -0.044 1.00 0.00 N ATOM 1504 CA GLU A 99 9.560 -4.061 -0.218 1.00 0.00 C ATOM 1505 C GLU A 99 9.310 -3.070 0.915 1.00 0.00 C ATOM 1506 O GLU A 99 9.506 -1.865 0.755 1.00 0.00 O ATOM 1507 CB GLU A 99 9.250 -3.402 -1.564 1.00 0.00 C ATOM 1508 CG GLU A 99 9.871 -4.120 -2.750 1.00 0.00 C ATOM 1509 CD GLU A 99 9.761 -3.324 -4.036 1.00 0.00 C ATOM 1510 OE1 GLU A 99 8.697 -3.391 -4.686 1.00 0.00 O ATOM 1511 OE2 GLU A 99 10.739 -2.635 -4.393 1.00 0.00 O ATOM 0 H GLU A 99 7.871 -5.256 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 99 10.610 -4.353 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.169 -3.362 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.607 -2.372 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.922 -4.320 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.383 -5.086 -2.882 1.00 0.00 H new ATOM 1518 N TYR A 100 8.877 -3.586 2.060 1.00 0.00 N ATOM 1519 CA TYR A 100 8.598 -2.747 3.219 1.00 0.00 C ATOM 1520 C TYR A 100 9.891 -2.236 3.846 1.00 0.00 C ATOM 1521 O TYR A 100 10.031 -1.045 4.123 1.00 0.00 O ATOM 1522 CB TYR A 100 7.789 -3.528 4.257 1.00 0.00 C ATOM 1523 CG TYR A 100 7.735 -2.859 5.611 1.00 0.00 C ATOM 1524 CD1 TYR A 100 6.754 -1.920 5.906 1.00 0.00 C ATOM 1525 CD2 TYR A 100 8.665 -3.166 6.597 1.00 0.00 C ATOM 1526 CE1 TYR A 100 6.702 -1.305 7.142 1.00 0.00 C ATOM 1527 CE2 TYR A 100 8.619 -2.558 7.837 1.00 0.00 C ATOM 1528 CZ TYR A 100 7.637 -1.627 8.104 1.00 0.00 C ATOM 1529 OH TYR A 100 7.587 -1.019 9.337 1.00 0.00 O ATOM 0 H TYR A 100 8.712 -4.581 2.210 1.00 0.00 H new ATOM 0 HA TYR A 100 8.015 -1.890 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.773 -3.663 3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.222 -4.522 4.369 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.019 -1.667 5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 100 9.437 -3.892 6.390 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.934 -0.576 7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 100 9.348 -2.810 8.593 1.00 0.00 H new ATOM 0 HH TYR A 100 8.315 -1.358 9.899 1.00 0.00 H new ATOM 1539 N ALA A 101 10.834 -3.146 4.067 1.00 0.00 N ATOM 1540 CA ALA A 101 12.118 -2.788 4.658 1.00 0.00 C ATOM 1541 C ALA A 101 12.788 -1.663 3.876 1.00 0.00 C ATOM 1542 O ALA A 101 13.283 -0.698 4.459 1.00 0.00 O ATOM 1543 CB ALA A 101 13.028 -4.005 4.720 1.00 0.00 C ATOM 0 H ALA A 101 10.733 -4.137 3.846 1.00 0.00 H new ATOM 0 HA ALA A 101 11.936 -2.432 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.983 -3.723 5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.560 -4.779 5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.194 -4.387 3.713 1.00 0.00 H new ATOM 1549 N PHE A 102 12.800 -1.793 2.554 1.00 0.00 N ATOM 1550 CA PHE A 102 13.411 -0.788 1.692 1.00 0.00 C ATOM 1551 C PHE A 102 12.391 0.271 1.284 1.00 0.00 C ATOM 1552 O PHE A 102 12.315 0.657 0.118 1.00 0.00 O ATOM 1553 CB PHE A 102 14.006 -1.447 0.446 1.00 0.00 C ATOM 1554 CG PHE A 102 15.179 -2.338 0.741 1.00 0.00 C ATOM 1555 CD1 PHE A 102 16.452 -1.808 0.875 1.00 0.00 C ATOM 1556 CD2 PHE A 102 15.008 -3.706 0.884 1.00 0.00 C ATOM 1557 CE1 PHE A 102 17.533 -2.624 1.147 1.00 0.00 C ATOM 1558 CE2 PHE A 102 16.086 -4.527 1.156 1.00 0.00 C ATOM 1559 CZ PHE A 102 17.350 -3.986 1.286 1.00 0.00 C ATOM 0 H PHE A 102 12.393 -2.585 2.056 1.00 0.00 H new ATOM 0 HA PHE A 102 14.209 -0.301 2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.232 -2.032 -0.051 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.317 -0.670 -0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.601 -0.744 0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.022 -4.135 0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.520 -2.198 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.940 -5.591 1.267 1.00 0.00 H new ATOM 0 HZ PHE A 102 18.194 -4.627 1.496 1.00 0.00 H new ATOM 1569 N ALA A 103 11.608 0.735 2.252 1.00 0.00 N ATOM 1570 CA ALA A 103 10.594 1.749 1.995 1.00 0.00 C ATOM 1571 C ALA A 103 10.724 2.916 2.968 1.00 0.00 C ATOM 1572 O ALA A 103 10.440 4.062 2.621 1.00 0.00 O ATOM 1573 CB ALA A 103 9.203 1.139 2.083 1.00 0.00 C ATOM 0 H ALA A 103 11.657 0.424 3.222 1.00 0.00 H new ATOM 0 HA ALA A 103 10.748 2.133 0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.455 1.908 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.107 0.344 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.049 0.727 3.080 1.00 0.00 H new ATOM 1579 N PHE A 104 11.156 2.616 4.189 1.00 0.00 N ATOM 1580 CA PHE A 104 11.323 3.640 5.213 1.00 0.00 C ATOM 1581 C PHE A 104 12.562 3.365 6.061 1.00 0.00 C ATOM 1582 O PHE A 104 12.810 2.230 6.463 1.00 0.00 O ATOM 1583 CB PHE A 104 10.083 3.703 6.108 1.00 0.00 C ATOM 1584 CG PHE A 104 8.910 4.380 5.459 1.00 0.00 C ATOM 1585 CD1 PHE A 104 8.091 3.687 4.582 1.00 0.00 C ATOM 1586 CD2 PHE A 104 8.625 5.709 5.727 1.00 0.00 C ATOM 1587 CE1 PHE A 104 7.011 4.307 3.983 1.00 0.00 C ATOM 1588 CE2 PHE A 104 7.546 6.335 5.131 1.00 0.00 C ATOM 1589 CZ PHE A 104 6.737 5.633 4.259 1.00 0.00 C ATOM 0 H PHE A 104 11.396 1.672 4.493 1.00 0.00 H new ATOM 0 HA PHE A 104 11.452 4.600 4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.797 2.690 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.335 4.232 7.027 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.299 2.650 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 104 9.253 6.262 6.409 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.382 3.756 3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.336 7.372 5.347 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.892 6.119 3.794 1.00 0.00 H new TER 1599 PHE A 104