USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1057 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 42 MET CE :methyl -107:sc= -4.2! (180deg=-5.82!) USER MOD Set 1.2: A 49 TYR OH : rot 60:sc= -0.332 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0755 (180deg=-0.103) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 3 THR OG1 : rot -51:sc= 1.11 USER MOD Single : A 6 GLN :FLIP amide:sc= 0.102 F(o=-1.4,f=0.1) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0729 X(o=-0.073,f=-0.24) USER MOD Single : A 24 THR OG1 : rot 105:sc= 1.36 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 176:sc= 0 (180deg=-0.0478) USER MOD Single : A 32 MET CE :methyl -163:sc= -0.12 (180deg=-0.667) USER MOD Single : A 39 TYR OH : rot 30:sc= 0.112 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.19 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.176 F(o=-2.4!,f=-0.18) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -2.71! C(o=-2.7!,f=-5.1!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 140:sc= -1.98! USER MOD Single : A 65 TYR OH : rot -163:sc= 0.0158 USER MOD Single : A 66 MET CE :methyl 180:sc= -4.92! (180deg=-4.92!) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.483 F(o=-3.3!,f=-0.48) USER MOD Single : A 81 ASN : amide:sc= -5.45! C(o=-5.5!,f=-18!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -2.33! F(o=-3.6,f=-2.3!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -16! C(o=-16!,f=-19!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.751 6.462 27.829 1.00 0.00 N ATOM 2 CA MET A 1 -11.329 6.093 28.046 1.00 0.00 C ATOM 3 C MET A 1 -10.523 6.249 26.762 1.00 0.00 C ATOM 4 O MET A 1 -11.018 6.778 25.767 1.00 0.00 O ATOM 5 CB MET A 1 -11.230 4.652 28.550 1.00 0.00 C ATOM 6 CG MET A 1 -11.837 4.447 29.929 1.00 0.00 C ATOM 7 SD MET A 1 -11.024 5.436 31.198 1.00 0.00 S ATOM 8 CE MET A 1 -11.936 4.934 32.656 1.00 0.00 C ATOM 0 H1 MET A 1 -13.024 7.205 28.503 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.874 6.813 26.858 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.353 5.626 27.974 1.00 0.00 H new ATOM 0 HA MET A 1 -10.915 6.766 28.797 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.730 3.993 27.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.181 4.356 28.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.896 4.703 29.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.771 3.393 30.198 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.548 5.462 33.527 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.991 5.175 32.526 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.824 3.860 32.803 1.00 0.00 H new ATOM 20 N ASN A 2 -9.276 5.784 26.791 1.00 0.00 N ATOM 21 CA ASN A 2 -8.399 5.874 25.629 1.00 0.00 C ATOM 22 C ASN A 2 -8.132 4.493 25.037 1.00 0.00 C ATOM 23 O ASN A 2 -7.515 3.641 25.677 1.00 0.00 O ATOM 24 CB ASN A 2 -7.078 6.542 26.012 1.00 0.00 C ATOM 25 CG ASN A 2 -6.133 6.677 24.834 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.566 6.812 23.689 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.836 6.638 25.109 1.00 0.00 N ATOM 0 H ASN A 2 -8.852 5.342 27.606 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.900 6.480 24.874 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.281 7.530 26.426 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.594 5.960 26.797 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.152 6.721 24.357 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.522 6.525 26.073 1.00 0.00 H new ATOM 34 N THR A 3 -8.602 4.281 23.813 1.00 0.00 N ATOM 35 CA THR A 3 -8.413 3.007 23.128 1.00 0.00 C ATOM 36 C THR A 3 -8.125 3.227 21.646 1.00 0.00 C ATOM 37 O THR A 3 -8.242 2.308 20.834 1.00 0.00 O ATOM 38 CB THR A 3 -9.654 2.103 23.274 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.425 0.846 22.627 1.00 0.00 O ATOM 40 CG2 THR A 3 -10.884 2.770 22.674 1.00 0.00 C ATOM 0 H THR A 3 -9.118 4.976 23.273 1.00 0.00 H new ATOM 0 HA THR A 3 -7.560 2.513 23.594 1.00 0.00 H new ATOM 0 HB THR A 3 -9.831 1.937 24.337 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.110 1.002 21.712 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.746 2.113 22.789 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.074 3.712 23.188 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.713 2.963 21.615 1.00 0.00 H new ATOM 48 N GLU A 4 -7.736 4.452 21.303 1.00 0.00 N ATOM 49 CA GLU A 4 -7.434 4.801 19.919 1.00 0.00 C ATOM 50 C GLU A 4 -6.043 5.424 19.803 1.00 0.00 C ATOM 51 O GLU A 4 -5.179 5.190 20.648 1.00 0.00 O ATOM 52 CB GLU A 4 -8.493 5.768 19.385 1.00 0.00 C ATOM 53 CG GLU A 4 -9.914 5.250 19.529 1.00 0.00 C ATOM 54 CD GLU A 4 -10.951 6.242 19.038 1.00 0.00 C ATOM 55 OE1 GLU A 4 -11.357 7.118 19.831 1.00 0.00 O ATOM 56 OE2 GLU A 4 -11.358 6.143 17.862 1.00 0.00 O ATOM 0 H GLU A 4 -7.623 5.220 21.965 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.447 3.889 19.322 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.406 6.718 19.913 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.293 5.969 18.333 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.015 4.319 18.971 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.107 5.017 20.576 1.00 0.00 H new ATOM 63 N GLU A 5 -5.838 6.211 18.745 1.00 0.00 N ATOM 64 CA GLU A 5 -4.557 6.874 18.503 1.00 0.00 C ATOM 65 C GLU A 5 -3.478 5.858 18.139 1.00 0.00 C ATOM 66 O GLU A 5 -3.464 4.739 18.652 1.00 0.00 O ATOM 67 CB GLU A 5 -4.127 7.690 19.727 1.00 0.00 C ATOM 68 CG GLU A 5 -2.850 8.486 19.507 1.00 0.00 C ATOM 69 CD GLU A 5 -2.483 9.343 20.702 1.00 0.00 C ATOM 70 OE1 GLU A 5 -2.936 10.506 20.760 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.743 8.852 21.580 1.00 0.00 O ATOM 0 H GLU A 5 -6.548 6.405 18.039 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.687 7.554 17.661 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.931 8.375 19.998 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.985 7.016 20.572 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.031 7.800 19.292 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.970 9.123 18.631 1.00 0.00 H new ATOM 78 N GLN A 6 -2.573 6.260 17.251 1.00 0.00 N ATOM 79 CA GLN A 6 -1.491 5.387 16.810 1.00 0.00 C ATOM 80 C GLN A 6 -0.130 6.057 16.999 1.00 0.00 C ATOM 81 O GLN A 6 0.052 7.219 16.635 1.00 0.00 O ATOM 82 CB GLN A 6 -1.686 5.014 15.338 1.00 0.00 C ATOM 83 CG GLN A 6 -1.839 6.220 14.423 1.00 0.00 C ATOM 84 CD GLN A 6 -2.068 5.835 12.974 1.00 0.00 C ATOM 85 OE1 GLN A 6 -1.502 4.708 12.560 1.00 0.00 O flip ATOM 86 NE2 GLN A 6 -2.743 6.549 12.231 1.00 0.00 N flip ATOM 0 H GLN A 6 -2.568 7.186 16.823 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.515 4.484 17.420 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.834 4.421 15.005 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.570 4.383 15.245 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.675 6.828 14.769 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.944 6.839 14.492 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.161 7.408 12.590 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.884 6.282 11.257 1.00 0.00 H new ATOM 95 N PRO A 7 0.847 5.330 17.575 1.00 0.00 N ATOM 96 CA PRO A 7 2.195 5.862 17.804 1.00 0.00 C ATOM 97 C PRO A 7 2.948 6.086 16.506 1.00 0.00 C ATOM 98 O PRO A 7 3.938 6.815 16.454 1.00 0.00 O ATOM 99 CB PRO A 7 2.878 4.778 18.636 1.00 0.00 C ATOM 100 CG PRO A 7 2.131 3.526 18.324 1.00 0.00 C ATOM 101 CD PRO A 7 0.713 3.941 18.050 1.00 0.00 C ATOM 0 HA PRO A 7 2.169 6.835 18.295 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.932 4.685 18.374 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.833 5.010 19.700 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.562 3.020 17.460 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.178 2.827 19.159 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.246 3.303 17.299 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.097 3.881 18.947 1.00 0.00 H new ATOM 109 N VAL A 8 2.457 5.445 15.468 1.00 0.00 N ATOM 110 CA VAL A 8 3.050 5.546 14.139 1.00 0.00 C ATOM 111 C VAL A 8 2.173 6.387 13.221 1.00 0.00 C ATOM 112 O VAL A 8 0.952 6.233 13.204 1.00 0.00 O ATOM 113 CB VAL A 8 3.254 4.157 13.504 1.00 0.00 C ATOM 114 CG1 VAL A 8 3.927 4.283 12.146 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.061 3.259 14.428 1.00 0.00 C ATOM 0 H VAL A 8 1.638 4.839 15.514 1.00 0.00 H new ATOM 0 HA VAL A 8 4.022 6.025 14.258 1.00 0.00 H new ATOM 0 HB VAL A 8 2.276 3.699 13.356 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.062 3.292 11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.303 4.885 11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.898 4.763 12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.194 2.283 13.962 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.036 3.709 14.612 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.532 3.140 15.373 1.00 0.00 H new ATOM 125 N THR A 9 2.800 7.274 12.456 1.00 0.00 N ATOM 126 CA THR A 9 2.068 8.141 11.540 1.00 0.00 C ATOM 127 C THR A 9 2.883 8.426 10.285 1.00 0.00 C ATOM 128 O THR A 9 4.099 8.615 10.352 1.00 0.00 O ATOM 129 CB THR A 9 1.696 9.480 12.202 1.00 0.00 C ATOM 130 OG1 THR A 9 2.879 10.152 12.648 1.00 0.00 O ATOM 131 CG2 THR A 9 0.755 9.265 13.379 1.00 0.00 C ATOM 0 H THR A 9 3.811 7.411 12.452 1.00 0.00 H new ATOM 0 HA THR A 9 1.155 7.610 11.271 1.00 0.00 H new ATOM 0 HB THR A 9 1.186 10.094 11.460 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.633 11.004 13.066 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.508 10.227 13.828 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.158 8.782 13.031 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.240 8.632 14.122 1.00 0.00 H new ATOM 139 N ALA A 10 2.209 8.453 9.143 1.00 0.00 N ATOM 140 CA ALA A 10 2.870 8.724 7.875 1.00 0.00 C ATOM 141 C ALA A 10 2.919 10.223 7.601 1.00 0.00 C ATOM 142 O ALA A 10 2.436 11.025 8.400 1.00 0.00 O ATOM 143 CB ALA A 10 2.160 8.000 6.743 1.00 0.00 C ATOM 0 H ALA A 10 1.205 8.290 9.069 1.00 0.00 H new ATOM 0 HA ALA A 10 3.894 8.355 7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.666 8.213 5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.178 6.926 6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.126 8.341 6.685 1.00 0.00 H new ATOM 149 N SER A 11 3.507 10.595 6.471 1.00 0.00 N ATOM 150 CA SER A 11 3.617 12.003 6.101 1.00 0.00 C ATOM 151 C SER A 11 3.663 12.170 4.587 1.00 0.00 C ATOM 152 O SER A 11 4.108 11.278 3.869 1.00 0.00 O ATOM 153 CB SER A 11 4.866 12.618 6.734 1.00 0.00 C ATOM 154 OG SER A 11 4.990 13.988 6.390 1.00 0.00 O ATOM 0 H SER A 11 3.914 9.946 5.797 1.00 0.00 H new ATOM 0 HA SER A 11 2.734 12.521 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.817 12.515 7.818 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.751 12.075 6.402 1.00 0.00 H new ATOM 0 HG SER A 11 5.795 14.359 6.808 1.00 0.00 H new ATOM 160 N LEU A 12 3.200 13.318 4.105 1.00 0.00 N ATOM 161 CA LEU A 12 3.194 13.589 2.673 1.00 0.00 C ATOM 162 C LEU A 12 4.530 14.175 2.229 1.00 0.00 C ATOM 163 O LEU A 12 5.067 15.083 2.865 1.00 0.00 O ATOM 164 CB LEU A 12 2.047 14.538 2.313 1.00 0.00 C ATOM 165 CG LEU A 12 1.711 14.628 0.819 1.00 0.00 C ATOM 166 CD1 LEU A 12 2.697 15.534 0.096 1.00 0.00 C ATOM 167 CD2 LEU A 12 1.683 13.244 0.183 1.00 0.00 C ATOM 0 H LEU A 12 2.826 14.072 4.681 1.00 0.00 H new ATOM 0 HA LEU A 12 3.043 12.646 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.153 14.221 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.298 15.536 2.672 1.00 0.00 H new ATOM 0 HG LEU A 12 0.716 15.064 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.439 15.582 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.654 16.535 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.705 15.135 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.443 13.335 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.660 12.773 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.927 12.633 0.675 1.00 0.00 H new ATOM 179 N VAL A 13 5.058 13.645 1.130 1.00 0.00 N ATOM 180 CA VAL A 13 6.339 14.101 0.595 1.00 0.00 C ATOM 181 C VAL A 13 6.143 15.028 -0.601 1.00 0.00 C ATOM 182 O VAL A 13 5.226 14.840 -1.399 1.00 0.00 O ATOM 183 CB VAL A 13 7.221 12.911 0.172 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.554 13.395 -0.380 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.434 11.964 1.344 1.00 0.00 C ATOM 0 H VAL A 13 4.619 12.898 0.591 1.00 0.00 H new ATOM 0 HA VAL A 13 6.838 14.651 1.393 1.00 0.00 H new ATOM 0 HB VAL A 13 6.706 12.367 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.160 12.537 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.379 14.029 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.079 13.966 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.059 11.129 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.925 12.497 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.471 11.587 1.687 1.00 0.00 H new ATOM 195 N ALA A 14 7.016 16.027 -0.713 1.00 0.00 N ATOM 196 CA ALA A 14 6.950 16.986 -1.809 1.00 0.00 C ATOM 197 C ALA A 14 6.797 16.278 -3.151 1.00 0.00 C ATOM 198 O ALA A 14 7.297 15.169 -3.338 1.00 0.00 O ATOM 199 CB ALA A 14 8.190 17.868 -1.814 1.00 0.00 C ATOM 0 H ALA A 14 7.778 16.192 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 14 6.072 17.613 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.127 18.579 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.255 18.410 -0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.077 17.247 -1.937 1.00 0.00 H new ATOM 205 N GLU A 15 6.104 16.926 -4.082 1.00 0.00 N ATOM 206 CA GLU A 15 5.876 16.351 -5.403 1.00 0.00 C ATOM 207 C GLU A 15 7.162 16.316 -6.225 1.00 0.00 C ATOM 208 O GLU A 15 7.286 15.528 -7.162 1.00 0.00 O ATOM 209 CB GLU A 15 4.803 17.144 -6.151 1.00 0.00 C ATOM 210 CG GLU A 15 5.173 18.601 -6.381 1.00 0.00 C ATOM 211 CD GLU A 15 4.135 19.342 -7.201 1.00 0.00 C ATOM 212 OE1 GLU A 15 3.162 19.850 -6.607 1.00 0.00 O ATOM 213 OE2 GLU A 15 4.295 19.412 -8.437 1.00 0.00 O ATOM 0 H GLU A 15 5.691 17.849 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 15 5.534 15.326 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.617 16.669 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.871 17.099 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.293 19.098 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.136 18.652 -6.889 1.00 0.00 H new ATOM 220 N ALA A 16 8.115 17.169 -5.870 1.00 0.00 N ATOM 221 CA ALA A 16 9.383 17.231 -6.587 1.00 0.00 C ATOM 222 C ALA A 16 10.495 16.513 -5.830 1.00 0.00 C ATOM 223 O ALA A 16 11.643 16.497 -6.274 1.00 0.00 O ATOM 224 CB ALA A 16 9.771 18.679 -6.844 1.00 0.00 C ATOM 0 H ALA A 16 8.035 17.825 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 16 9.250 16.720 -7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.720 18.712 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.999 19.162 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.873 19.203 -5.893 1.00 0.00 H new ATOM 230 N GLN A 17 10.154 15.913 -4.692 1.00 0.00 N ATOM 231 CA GLN A 17 11.140 15.202 -3.883 1.00 0.00 C ATOM 232 C GLN A 17 10.764 13.736 -3.753 1.00 0.00 C ATOM 233 O GLN A 17 11.605 12.888 -3.453 1.00 0.00 O ATOM 234 CB GLN A 17 11.249 15.841 -2.498 1.00 0.00 C ATOM 235 CG GLN A 17 11.820 17.249 -2.527 1.00 0.00 C ATOM 236 CD GLN A 17 13.278 17.274 -2.938 1.00 0.00 C ATOM 237 OE1 GLN A 17 14.173 17.302 -2.091 1.00 0.00 O ATOM 238 NE2 GLN A 17 13.525 17.243 -4.240 1.00 0.00 N ATOM 0 H GLN A 17 9.208 15.905 -4.311 1.00 0.00 H new ATOM 0 HA GLN A 17 12.108 15.271 -4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.261 15.867 -2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.878 15.215 -1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.240 17.859 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.716 17.700 -1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.752 17.220 -4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.488 17.242 -4.577 1.00 0.00 H new ATOM 247 N ARG A 18 9.491 13.449 -3.983 1.00 0.00 N ATOM 248 CA ARG A 18 8.984 12.090 -3.902 1.00 0.00 C ATOM 249 C ARG A 18 9.471 11.276 -5.094 1.00 0.00 C ATOM 250 O ARG A 18 9.438 10.046 -5.080 1.00 0.00 O ATOM 251 CB ARG A 18 7.459 12.108 -3.859 1.00 0.00 C ATOM 252 CG ARG A 18 6.823 12.657 -5.126 1.00 0.00 C ATOM 253 CD ARG A 18 5.379 13.052 -4.884 1.00 0.00 C ATOM 254 NE ARG A 18 4.685 13.384 -6.125 1.00 0.00 N ATOM 255 CZ ARG A 18 3.364 13.508 -6.220 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.599 13.327 -5.152 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.807 13.813 -7.384 1.00 0.00 N ATOM 0 H ARG A 18 8.787 14.145 -4.229 1.00 0.00 H new ATOM 0 HA ARG A 18 9.357 11.625 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.096 11.094 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.134 12.709 -3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.387 13.522 -5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.871 11.907 -5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.859 12.234 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.346 13.908 -4.210 1.00 0.00 H new ATOM 0 HE ARG A 18 5.244 13.529 -6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.023 13.092 -4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.586 13.423 -5.228 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.392 13.953 -8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.794 13.908 -7.455 1.00 0.00 H new ATOM 271 N LEU A 19 9.922 11.982 -6.126 1.00 0.00 N ATOM 272 CA LEU A 19 10.429 11.345 -7.332 1.00 0.00 C ATOM 273 C LEU A 19 11.701 10.562 -7.028 1.00 0.00 C ATOM 274 O LEU A 19 12.065 9.637 -7.756 1.00 0.00 O ATOM 275 CB LEU A 19 10.693 12.396 -8.415 1.00 0.00 C ATOM 276 CG LEU A 19 11.427 13.657 -7.943 1.00 0.00 C ATOM 277 CD1 LEU A 19 12.915 13.383 -7.772 1.00 0.00 C ATOM 278 CD2 LEU A 19 11.207 14.798 -8.924 1.00 0.00 C ATOM 0 H LEU A 19 9.946 13.001 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 19 9.676 10.647 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.276 11.934 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.738 12.693 -8.850 1.00 0.00 H new ATOM 0 HG LEU A 19 11.019 13.947 -6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.416 14.291 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.057 12.596 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.338 13.066 -8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.735 15.685 -8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.587 14.513 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.141 15.015 -8.997 1.00 0.00 H new ATOM 290 N ASP A 20 12.374 10.939 -5.944 1.00 0.00 N ATOM 291 CA ASP A 20 13.601 10.268 -5.533 1.00 0.00 C ATOM 292 C ASP A 20 13.443 9.677 -4.138 1.00 0.00 C ATOM 293 O ASP A 20 14.198 8.796 -3.734 1.00 0.00 O ATOM 294 CB ASP A 20 14.779 11.242 -5.552 1.00 0.00 C ATOM 295 CG ASP A 20 16.112 10.541 -5.384 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.641 10.023 -6.391 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.627 10.508 -4.247 1.00 0.00 O ATOM 0 H ASP A 20 12.089 11.706 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 20 13.800 9.462 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.777 11.792 -6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.654 11.975 -4.755 1.00 0.00 H new ATOM 302 N PHE A 21 12.446 10.169 -3.414 1.00 0.00 N ATOM 303 CA PHE A 21 12.171 9.701 -2.062 1.00 0.00 C ATOM 304 C PHE A 21 11.747 8.237 -2.075 1.00 0.00 C ATOM 305 O PHE A 21 12.121 7.463 -1.194 1.00 0.00 O ATOM 306 CB PHE A 21 11.071 10.551 -1.425 1.00 0.00 C ATOM 307 CG PHE A 21 11.359 10.950 -0.007 1.00 0.00 C ATOM 308 CD1 PHE A 21 12.347 11.879 0.279 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.637 10.403 1.042 1.00 0.00 C ATOM 310 CE1 PHE A 21 12.612 12.251 1.583 1.00 0.00 C ATOM 311 CE2 PHE A 21 10.898 10.772 2.348 1.00 0.00 C ATOM 312 CZ PHE A 21 11.886 11.697 2.619 1.00 0.00 C ATOM 0 H PHE A 21 11.811 10.896 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 21 13.084 9.795 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.927 11.450 -2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.133 9.996 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.917 12.317 -0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.861 9.680 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.386 12.974 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.329 10.337 3.156 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.091 11.987 3.639 1.00 0.00 H new ATOM 322 N LEU A 22 10.965 7.863 -3.085 1.00 0.00 N ATOM 323 CA LEU A 22 10.486 6.492 -3.214 1.00 0.00 C ATOM 324 C LEU A 22 11.648 5.523 -3.452 1.00 0.00 C ATOM 325 O LEU A 22 11.789 4.542 -2.728 1.00 0.00 O ATOM 326 CB LEU A 22 9.461 6.389 -4.351 1.00 0.00 C ATOM 327 CG LEU A 22 8.346 5.356 -4.144 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.926 3.969 -3.909 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.448 5.763 -2.985 1.00 0.00 C ATOM 0 H LEU A 22 10.651 8.491 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 22 10.001 6.214 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.003 7.368 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.990 6.147 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 22 7.744 5.322 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.115 3.255 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.521 3.673 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.558 3.984 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.663 5.018 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.040 5.831 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.996 6.732 -3.197 1.00 0.00 H new ATOM 341 N PRO A 23 12.501 5.775 -4.469 1.00 0.00 N ATOM 342 CA PRO A 23 13.645 4.905 -4.770 1.00 0.00 C ATOM 343 C PRO A 23 14.750 5.011 -3.721 1.00 0.00 C ATOM 344 O PRO A 23 15.651 4.175 -3.664 1.00 0.00 O ATOM 345 CB PRO A 23 14.141 5.425 -6.119 1.00 0.00 C ATOM 346 CG PRO A 23 13.725 6.852 -6.147 1.00 0.00 C ATOM 347 CD PRO A 23 12.418 6.914 -5.408 1.00 0.00 C ATOM 0 HA PRO A 23 13.362 3.852 -4.780 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.223 5.326 -6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.700 4.867 -6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.473 7.486 -5.672 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.612 7.206 -7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.299 7.861 -4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.569 6.816 -6.084 1.00 0.00 H new ATOM 355 N THR A 24 14.675 6.049 -2.901 1.00 0.00 N ATOM 356 CA THR A 24 15.664 6.276 -1.851 1.00 0.00 C ATOM 357 C THR A 24 15.392 5.409 -0.621 1.00 0.00 C ATOM 358 O THR A 24 16.322 4.988 0.069 1.00 0.00 O ATOM 359 CB THR A 24 15.689 7.761 -1.437 1.00 0.00 C ATOM 360 OG1 THR A 24 16.378 8.533 -2.427 1.00 0.00 O ATOM 361 CG2 THR A 24 16.359 7.948 -0.087 1.00 0.00 C ATOM 0 H THR A 24 13.937 6.752 -2.941 1.00 0.00 H new ATOM 0 HA THR A 24 16.635 5.997 -2.260 1.00 0.00 H new ATOM 0 HB THR A 24 14.657 8.104 -1.356 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.728 9.038 -2.959 1.00 0.00 H new ATOM 0 HG21 THR A 24 16.360 9.006 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.813 7.387 0.671 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.386 7.586 -0.137 1.00 0.00 H new ATOM 369 N TYR A 25 14.119 5.139 -0.358 1.00 0.00 N ATOM 370 CA TYR A 25 13.737 4.330 0.798 1.00 0.00 C ATOM 371 C TYR A 25 13.262 2.941 0.380 1.00 0.00 C ATOM 372 O TYR A 25 13.374 1.982 1.143 1.00 0.00 O ATOM 373 CB TYR A 25 12.652 5.042 1.605 1.00 0.00 C ATOM 374 CG TYR A 25 13.169 6.236 2.375 1.00 0.00 C ATOM 375 CD1 TYR A 25 13.723 6.082 3.641 1.00 0.00 C ATOM 376 CD2 TYR A 25 13.113 7.514 1.835 1.00 0.00 C ATOM 377 CE1 TYR A 25 14.202 7.170 4.347 1.00 0.00 C ATOM 378 CE2 TYR A 25 13.592 8.606 2.534 1.00 0.00 C ATOM 379 CZ TYR A 25 14.135 8.428 3.789 1.00 0.00 C ATOM 380 OH TYR A 25 14.613 9.512 4.489 1.00 0.00 O ATOM 0 H TYR A 25 13.336 5.465 -0.925 1.00 0.00 H new ATOM 0 HA TYR A 25 14.621 4.203 1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.861 5.368 0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.204 4.334 2.303 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.780 5.097 4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.688 7.657 0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.626 7.034 5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.541 9.593 2.100 1.00 0.00 H new ATOM 0 HH TYR A 25 14.492 10.325 3.955 1.00 0.00 H new ATOM 390 N PHE A 26 12.735 2.839 -0.834 1.00 0.00 N ATOM 391 CA PHE A 26 12.254 1.569 -1.355 1.00 0.00 C ATOM 392 C PHE A 26 13.322 0.937 -2.237 1.00 0.00 C ATOM 393 O PHE A 26 13.572 -0.267 -2.167 1.00 0.00 O ATOM 394 CB PHE A 26 10.962 1.778 -2.149 1.00 0.00 C ATOM 395 CG PHE A 26 9.970 0.659 -2.001 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.511 0.286 -0.748 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.491 -0.012 -3.114 1.00 0.00 C ATOM 398 CE1 PHE A 26 8.594 -0.737 -0.609 1.00 0.00 C ATOM 399 CE2 PHE A 26 8.575 -1.037 -2.981 1.00 0.00 C ATOM 400 CZ PHE A 26 8.125 -1.400 -1.727 1.00 0.00 C ATOM 0 H PHE A 26 12.630 3.624 -1.477 1.00 0.00 H new ATOM 0 HA PHE A 26 12.042 0.899 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.496 2.709 -1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.210 1.894 -3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.874 0.801 0.129 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.838 0.270 -4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.244 -1.019 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.211 -1.554 -3.857 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.408 -2.200 -1.620 1.00 0.00 H new ATOM 410 N GLY A 27 13.947 1.767 -3.064 1.00 0.00 N ATOM 411 CA GLY A 27 14.998 1.294 -3.942 1.00 0.00 C ATOM 412 C GLY A 27 14.934 1.928 -5.317 1.00 0.00 C ATOM 413 O GLY A 27 13.851 2.054 -5.889 1.00 0.00 O ATOM 0 H GLY A 27 13.743 2.763 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.967 1.508 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.925 0.211 -4.041 1.00 0.00 H new ATOM 417 N PRO A 28 16.084 2.340 -5.879 1.00 0.00 N ATOM 418 CA PRO A 28 16.134 2.966 -7.203 1.00 0.00 C ATOM 419 C PRO A 28 15.534 2.073 -8.278 1.00 0.00 C ATOM 420 O PRO A 28 15.172 2.540 -9.358 1.00 0.00 O ATOM 421 CB PRO A 28 17.632 3.185 -7.456 1.00 0.00 C ATOM 422 CG PRO A 28 18.331 2.311 -6.468 1.00 0.00 C ATOM 423 CD PRO A 28 17.422 2.224 -5.277 1.00 0.00 C ATOM 0 HA PRO A 28 15.555 3.889 -7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.901 2.917 -8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.905 4.231 -7.318 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.521 1.323 -6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.298 2.731 -6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.545 1.282 -4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.615 3.024 -4.562 1.00 0.00 H new ATOM 431 N ARG A 29 15.435 0.786 -7.974 1.00 0.00 N ATOM 432 CA ARG A 29 14.873 -0.175 -8.910 1.00 0.00 C ATOM 433 C ARG A 29 13.408 -0.455 -8.593 1.00 0.00 C ATOM 434 O ARG A 29 12.585 -0.578 -9.500 1.00 0.00 O ATOM 435 CB ARG A 29 15.677 -1.480 -8.882 1.00 0.00 C ATOM 436 CG ARG A 29 15.206 -2.513 -9.897 1.00 0.00 C ATOM 437 CD ARG A 29 14.104 -3.396 -9.331 1.00 0.00 C ATOM 438 NE ARG A 29 13.481 -4.226 -10.358 1.00 0.00 N ATOM 439 CZ ARG A 29 13.312 -5.540 -10.245 1.00 0.00 C ATOM 440 NH1 ARG A 29 13.730 -6.175 -9.158 1.00 0.00 N ATOM 441 NH2 ARG A 29 12.727 -6.222 -11.221 1.00 0.00 N ATOM 0 H ARG A 29 15.737 0.384 -7.086 1.00 0.00 H new ATOM 0 HA ARG A 29 14.930 0.255 -9.910 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.727 -1.253 -9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.617 -1.912 -7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.843 -2.006 -10.791 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.049 -3.133 -10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.517 -4.035 -8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.345 -2.771 -8.861 1.00 0.00 H new ATOM 0 HE ARG A 29 13.157 -3.772 -11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.182 -5.655 -8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.599 -7.183 -9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.406 -5.738 -12.060 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.598 -7.230 -11.133 1.00 0.00 H new ATOM 455 N LEU A 30 13.080 -0.554 -7.305 1.00 0.00 N ATOM 456 CA LEU A 30 11.716 -0.837 -6.873 1.00 0.00 C ATOM 457 C LEU A 30 10.767 0.324 -7.140 1.00 0.00 C ATOM 458 O LEU A 30 9.602 0.110 -7.444 1.00 0.00 O ATOM 459 CB LEU A 30 11.707 -1.148 -5.372 1.00 0.00 C ATOM 460 CG LEU A 30 12.516 -2.373 -4.931 1.00 0.00 C ATOM 461 CD1 LEU A 30 12.439 -3.485 -5.969 1.00 0.00 C ATOM 462 CD2 LEU A 30 13.961 -1.987 -4.658 1.00 0.00 C ATOM 0 H LEU A 30 13.746 -0.441 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 30 11.368 -1.694 -7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.087 -0.276 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.673 -1.289 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 30 12.080 -2.751 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.022 -4.341 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.400 -3.785 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.840 -3.126 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.520 -2.869 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.406 -1.577 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.994 -1.238 -3.867 1.00 0.00 H new ATOM 474 N MET A 31 11.267 1.545 -7.001 1.00 0.00 N ATOM 475 CA MET A 31 10.459 2.750 -7.200 1.00 0.00 C ATOM 476 C MET A 31 9.346 2.566 -8.234 1.00 0.00 C ATOM 477 O MET A 31 8.240 3.072 -8.049 1.00 0.00 O ATOM 478 CB MET A 31 11.357 3.917 -7.601 1.00 0.00 C ATOM 479 CG MET A 31 12.285 3.594 -8.759 1.00 0.00 C ATOM 480 SD MET A 31 11.895 4.537 -10.245 1.00 0.00 S ATOM 481 CE MET A 31 13.149 3.932 -11.372 1.00 0.00 C ATOM 0 H MET A 31 12.238 1.732 -6.749 1.00 0.00 H new ATOM 0 HA MET A 31 9.970 2.961 -6.249 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.734 4.769 -7.872 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.954 4.219 -6.740 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.314 3.799 -8.463 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.224 2.529 -8.983 1.00 0.00 H new ATOM 0 HE1 MET A 31 12.994 4.370 -12.358 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.136 4.210 -11.002 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.081 2.846 -11.443 1.00 0.00 H new ATOM 491 N MET A 32 9.632 1.849 -9.314 1.00 0.00 N ATOM 492 CA MET A 32 8.637 1.621 -10.356 1.00 0.00 C ATOM 493 C MET A 32 8.036 0.225 -10.240 1.00 0.00 C ATOM 494 O MET A 32 6.845 0.028 -10.483 1.00 0.00 O ATOM 495 CB MET A 32 9.264 1.807 -11.739 1.00 0.00 C ATOM 496 CG MET A 32 10.355 0.795 -12.052 1.00 0.00 C ATOM 497 SD MET A 32 11.105 1.060 -13.671 1.00 0.00 S ATOM 498 CE MET A 32 9.691 0.827 -14.745 1.00 0.00 C ATOM 0 H MET A 32 10.539 1.417 -9.491 1.00 0.00 H new ATOM 0 HA MET A 32 7.838 2.351 -10.226 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.483 1.733 -12.496 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.681 2.812 -11.808 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.127 0.850 -11.285 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.936 -0.210 -12.010 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.033 0.658 -15.766 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.116 -0.036 -14.408 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.061 1.716 -14.716 1.00 0.00 H new ATOM 508 N ARG A 33 8.869 -0.741 -9.866 1.00 0.00 N ATOM 509 CA ARG A 33 8.424 -2.121 -9.718 1.00 0.00 C ATOM 510 C ARG A 33 7.539 -2.289 -8.488 1.00 0.00 C ATOM 511 O ARG A 33 6.889 -3.321 -8.318 1.00 0.00 O ATOM 512 CB ARG A 33 9.629 -3.059 -9.625 1.00 0.00 C ATOM 513 CG ARG A 33 10.560 -2.974 -10.824 1.00 0.00 C ATOM 514 CD ARG A 33 9.851 -3.362 -12.112 1.00 0.00 C ATOM 515 NE ARG A 33 9.260 -4.695 -12.034 1.00 0.00 N ATOM 516 CZ ARG A 33 8.431 -5.190 -12.948 1.00 0.00 C ATOM 517 NH1 ARG A 33 8.100 -4.467 -14.010 1.00 0.00 N ATOM 518 NH2 ARG A 33 7.932 -6.409 -12.802 1.00 0.00 N ATOM 0 H ARG A 33 9.857 -0.593 -9.660 1.00 0.00 H new ATOM 0 HA ARG A 33 7.835 -2.378 -10.598 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.192 -2.826 -8.721 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.274 -4.084 -9.523 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.948 -1.959 -10.913 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.416 -3.630 -10.668 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.071 -2.632 -12.330 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.559 -3.328 -12.940 1.00 0.00 H new ATOM 0 HE ARG A 33 9.497 -5.280 -11.233 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.482 -3.528 -14.127 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.464 -4.850 -14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.184 -6.969 -11.987 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.296 -6.787 -13.504 1.00 0.00 H new ATOM 532 N GLY A 34 7.516 -1.273 -7.628 1.00 0.00 N ATOM 533 CA GLY A 34 6.705 -1.338 -6.428 1.00 0.00 C ATOM 534 C GLY A 34 5.450 -0.502 -6.544 1.00 0.00 C ATOM 535 O GLY A 34 4.364 -0.947 -6.177 1.00 0.00 O ATOM 0 H GLY A 34 8.044 -0.408 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.433 -2.375 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.291 -0.995 -5.576 1.00 0.00 H new ATOM 539 N GLU A 35 5.601 0.717 -7.054 1.00 0.00 N ATOM 540 CA GLU A 35 4.466 1.613 -7.227 1.00 0.00 C ATOM 541 C GLU A 35 3.439 0.982 -8.158 1.00 0.00 C ATOM 542 O GLU A 35 2.234 1.146 -7.973 1.00 0.00 O ATOM 543 CB GLU A 35 4.922 2.962 -7.788 1.00 0.00 C ATOM 544 CG GLU A 35 5.492 2.880 -9.196 1.00 0.00 C ATOM 545 CD GLU A 35 5.774 4.246 -9.790 1.00 0.00 C ATOM 546 OE1 GLU A 35 6.826 4.832 -9.460 1.00 0.00 O ATOM 547 OE2 GLU A 35 4.944 4.728 -10.590 1.00 0.00 O ATOM 0 H GLU A 35 6.496 1.104 -7.353 1.00 0.00 H new ATOM 0 HA GLU A 35 4.009 1.781 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.076 3.650 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.677 3.385 -7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.414 2.298 -9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.791 2.346 -9.838 1.00 0.00 H new ATOM 554 N ALA A 36 3.928 0.258 -9.162 1.00 0.00 N ATOM 555 CA ALA A 36 3.050 -0.407 -10.117 1.00 0.00 C ATOM 556 C ALA A 36 2.380 -1.625 -9.484 1.00 0.00 C ATOM 557 O ALA A 36 1.371 -2.122 -9.981 1.00 0.00 O ATOM 558 CB ALA A 36 3.830 -0.816 -11.358 1.00 0.00 C ATOM 0 H ALA A 36 4.924 0.118 -9.334 1.00 0.00 H new ATOM 0 HA ALA A 36 2.270 0.296 -10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.161 -1.311 -12.062 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.258 0.070 -11.827 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.630 -1.500 -11.076 1.00 0.00 H new ATOM 564 N LEU A 37 2.960 -2.108 -8.391 1.00 0.00 N ATOM 565 CA LEU A 37 2.424 -3.266 -7.687 1.00 0.00 C ATOM 566 C LEU A 37 1.321 -2.874 -6.709 1.00 0.00 C ATOM 567 O LEU A 37 0.308 -3.563 -6.599 1.00 0.00 O ATOM 568 CB LEU A 37 3.542 -3.991 -6.943 1.00 0.00 C ATOM 569 CG LEU A 37 3.949 -5.332 -7.550 1.00 0.00 C ATOM 570 CD1 LEU A 37 5.235 -5.830 -6.917 1.00 0.00 C ATOM 571 CD2 LEU A 37 2.833 -6.351 -7.377 1.00 0.00 C ATOM 0 H LEU A 37 3.803 -1.714 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 37 1.988 -3.932 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.417 -3.342 -6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.227 -4.155 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 37 4.124 -5.194 -8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.512 -6.787 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.031 -5.106 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.088 -5.956 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.137 -7.302 -7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.628 -6.489 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.933 -5.993 -7.877 1.00 0.00 H new ATOM 583 N VAL A 38 1.519 -1.768 -6.002 1.00 0.00 N ATOM 584 CA VAL A 38 0.532 -1.307 -5.034 1.00 0.00 C ATOM 585 C VAL A 38 -0.786 -0.991 -5.730 1.00 0.00 C ATOM 586 O VAL A 38 -1.863 -1.233 -5.186 1.00 0.00 O ATOM 587 CB VAL A 38 1.020 -0.067 -4.261 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.432 -0.289 -3.747 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.955 1.180 -5.128 1.00 0.00 C ATOM 0 H VAL A 38 2.347 -1.178 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 38 0.382 -2.114 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 38 0.358 0.085 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.764 0.595 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.445 -1.152 -3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.101 -0.470 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.305 2.039 -4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.587 1.046 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.074 1.350 -5.444 1.00 0.00 H new ATOM 599 N TYR A 39 -0.687 -0.448 -6.939 1.00 0.00 N ATOM 600 CA TYR A 39 -1.864 -0.110 -7.726 1.00 0.00 C ATOM 601 C TYR A 39 -2.394 -1.349 -8.443 1.00 0.00 C ATOM 602 O TYR A 39 -3.568 -1.415 -8.807 1.00 0.00 O ATOM 603 CB TYR A 39 -1.520 0.996 -8.732 1.00 0.00 C ATOM 604 CG TYR A 39 -1.532 0.559 -10.181 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.393 0.031 -10.775 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.680 0.676 -10.955 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.396 -0.368 -12.098 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.692 0.280 -12.278 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.548 -0.242 -12.845 1.00 0.00 C ATOM 610 OH TYR A 39 -1.555 -0.639 -14.162 1.00 0.00 O ATOM 0 H TYR A 39 0.200 -0.233 -7.395 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.645 0.258 -7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.229 1.815 -8.608 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.532 1.391 -8.494 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.511 -0.070 -10.193 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.578 1.083 -10.515 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.499 -0.776 -12.544 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.593 0.379 -12.866 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.918 -1.373 -14.286 1.00 0.00 H new ATOM 620 N ALA A 40 -1.515 -2.329 -8.640 1.00 0.00 N ATOM 621 CA ALA A 40 -1.889 -3.570 -9.306 1.00 0.00 C ATOM 622 C ALA A 40 -2.946 -4.318 -8.504 1.00 0.00 C ATOM 623 O ALA A 40 -3.870 -4.903 -9.069 1.00 0.00 O ATOM 624 CB ALA A 40 -0.663 -4.448 -9.515 1.00 0.00 C ATOM 0 H ALA A 40 -0.539 -2.286 -8.347 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.312 -3.321 -10.279 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.958 -5.372 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.063 -3.918 -10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.215 -4.684 -8.549 1.00 0.00 H new ATOM 630 N TRP A 41 -2.802 -4.298 -7.183 1.00 0.00 N ATOM 631 CA TRP A 41 -3.753 -4.969 -6.304 1.00 0.00 C ATOM 632 C TRP A 41 -5.016 -4.132 -6.135 1.00 0.00 C ATOM 633 O TRP A 41 -6.113 -4.671 -5.985 1.00 0.00 O ATOM 634 CB TRP A 41 -3.123 -5.234 -4.935 1.00 0.00 C ATOM 635 CG TRP A 41 -2.059 -6.290 -4.957 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.721 -6.104 -5.156 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.245 -7.699 -4.773 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.064 -7.309 -5.105 1.00 0.00 N ATOM 639 CE2 TRP A 41 -0.978 -8.304 -4.872 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.361 -8.505 -4.533 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -0.798 -9.678 -4.740 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.179 -9.870 -4.402 1.00 0.00 C ATOM 643 CH2 TRP A 41 -1.906 -10.444 -4.505 1.00 0.00 C ATOM 0 H TRP A 41 -2.038 -3.826 -6.699 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.021 -5.921 -6.763 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.694 -4.306 -4.556 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.905 -5.532 -4.236 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.248 -5.148 -5.328 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.941 -7.442 -5.222 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.346 -8.071 -4.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.183 -10.123 -4.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.034 -10.504 -4.217 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.797 -11.513 -4.397 1.00 0.00 H new ATOM 654 N MET A 42 -4.854 -2.813 -6.161 1.00 0.00 N ATOM 655 CA MET A 42 -5.978 -1.902 -6.004 1.00 0.00 C ATOM 656 C MET A 42 -6.977 -2.050 -7.149 1.00 0.00 C ATOM 657 O MET A 42 -8.187 -2.080 -6.925 1.00 0.00 O ATOM 658 CB MET A 42 -5.475 -0.461 -5.929 1.00 0.00 C ATOM 659 CG MET A 42 -6.470 0.487 -5.289 1.00 0.00 C ATOM 660 SD MET A 42 -6.955 -0.038 -3.637 1.00 0.00 S ATOM 661 CE MET A 42 -8.285 1.109 -3.302 1.00 0.00 C ATOM 0 H MET A 42 -3.953 -2.352 -6.290 1.00 0.00 H new ATOM 0 HA MET A 42 -6.491 -2.155 -5.076 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.544 -0.437 -5.362 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.245 -0.111 -6.935 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.035 1.485 -5.237 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.356 0.558 -5.919 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.953 1.849 -2.574 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.573 1.612 -4.225 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.141 0.566 -2.902 1.00 0.00 H new ATOM 671 N ARG A 43 -6.467 -2.142 -8.375 1.00 0.00 N ATOM 672 CA ARG A 43 -7.325 -2.285 -9.547 1.00 0.00 C ATOM 673 C ARG A 43 -8.012 -3.647 -9.565 1.00 0.00 C ATOM 674 O ARG A 43 -9.007 -3.839 -10.262 1.00 0.00 O ATOM 675 CB ARG A 43 -6.515 -2.089 -10.830 1.00 0.00 C ATOM 676 CG ARG A 43 -5.292 -2.984 -10.924 1.00 0.00 C ATOM 677 CD ARG A 43 -4.546 -2.769 -12.231 1.00 0.00 C ATOM 678 NE ARG A 43 -5.329 -3.202 -13.386 1.00 0.00 N ATOM 679 CZ ARG A 43 -5.112 -2.777 -14.626 1.00 0.00 C ATOM 680 NH1 ARG A 43 -4.148 -1.900 -14.871 1.00 0.00 N ATOM 681 NH2 ARG A 43 -5.863 -3.226 -15.623 1.00 0.00 N ATOM 0 H ARG A 43 -5.468 -2.120 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.095 -1.515 -9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.160 -2.279 -11.688 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.198 -1.048 -10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.626 -2.781 -10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.596 -4.028 -10.844 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.297 -1.713 -12.337 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.604 -3.317 -12.205 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.085 -3.869 -13.232 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.571 -1.550 -14.106 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.984 -1.576 -15.824 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.608 -3.898 -15.438 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.696 -2.899 -16.575 1.00 0.00 H new ATOM 695 N ARG A 44 -7.475 -4.591 -8.799 1.00 0.00 N ATOM 696 CA ARG A 44 -8.048 -5.932 -8.724 1.00 0.00 C ATOM 697 C ARG A 44 -9.224 -5.961 -7.755 1.00 0.00 C ATOM 698 O ARG A 44 -10.063 -6.857 -7.806 1.00 0.00 O ATOM 699 CB ARG A 44 -6.986 -6.944 -8.285 1.00 0.00 C ATOM 700 CG ARG A 44 -5.971 -7.274 -9.366 1.00 0.00 C ATOM 701 CD ARG A 44 -4.957 -8.297 -8.879 1.00 0.00 C ATOM 702 NE ARG A 44 -5.601 -9.458 -8.273 1.00 0.00 N ATOM 703 CZ ARG A 44 -4.988 -10.621 -8.071 1.00 0.00 C ATOM 704 NH1 ARG A 44 -3.724 -10.782 -8.436 1.00 0.00 N ATOM 705 NH2 ARG A 44 -5.642 -11.625 -7.503 1.00 0.00 N ATOM 0 H ARG A 44 -6.645 -4.454 -8.222 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.406 -6.204 -9.717 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.461 -6.551 -7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.481 -7.863 -7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.486 -7.660 -10.246 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.454 -6.364 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.338 -8.621 -9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.292 -7.831 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.577 -9.373 -7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.218 -10.012 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.258 -11.676 -8.279 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.615 -11.505 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.172 -12.517 -7.348 1.00 0.00 H new ATOM 719 N LEU A 45 -9.274 -4.968 -6.876 1.00 0.00 N ATOM 720 CA LEU A 45 -10.336 -4.865 -5.885 1.00 0.00 C ATOM 721 C LEU A 45 -11.599 -4.257 -6.485 1.00 0.00 C ATOM 722 O LEU A 45 -12.699 -4.512 -6.007 1.00 0.00 O ATOM 723 CB LEU A 45 -9.872 -4.028 -4.694 1.00 0.00 C ATOM 724 CG LEU A 45 -8.613 -4.540 -3.991 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.135 -3.532 -2.957 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.877 -5.890 -3.339 1.00 0.00 C ATOM 0 H LEU A 45 -8.585 -4.217 -6.830 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.572 -5.874 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.690 -3.009 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.682 -3.980 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.829 -4.667 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.239 -3.911 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.907 -2.587 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.917 -3.375 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.971 -6.238 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.676 -5.789 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.174 -6.610 -4.101 1.00 0.00 H new ATOM 738 N CYS A 46 -11.444 -3.457 -7.536 1.00 0.00 N ATOM 739 CA CYS A 46 -12.586 -2.826 -8.193 1.00 0.00 C ATOM 740 C CYS A 46 -12.614 -3.193 -9.674 1.00 0.00 C ATOM 741 O CYS A 46 -11.575 -3.470 -10.273 1.00 0.00 O ATOM 742 CB CYS A 46 -12.530 -1.308 -8.027 1.00 0.00 C ATOM 743 SG CYS A 46 -13.921 -0.429 -8.776 1.00 0.00 S ATOM 0 H CYS A 46 -10.540 -3.230 -7.951 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.499 -3.192 -7.723 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.495 -1.071 -6.964 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.603 -0.940 -8.466 1.00 0.00 H new ATOM 0 HG CYS A 46 -13.783 0.849 -8.580 1.00 0.00 H new ATOM 749 N GLU A 47 -13.805 -3.194 -10.264 1.00 0.00 N ATOM 750 CA GLU A 47 -13.958 -3.542 -11.673 1.00 0.00 C ATOM 751 C GLU A 47 -13.829 -2.314 -12.571 1.00 0.00 C ATOM 752 O GLU A 47 -13.582 -2.437 -13.771 1.00 0.00 O ATOM 753 CB GLU A 47 -15.310 -4.219 -11.907 1.00 0.00 C ATOM 754 CG GLU A 47 -16.498 -3.359 -11.509 1.00 0.00 C ATOM 755 CD GLU A 47 -17.826 -4.041 -11.775 1.00 0.00 C ATOM 756 OE1 GLU A 47 -18.357 -3.891 -12.894 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.335 -4.724 -10.861 1.00 0.00 O ATOM 0 H GLU A 47 -14.677 -2.958 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.157 -4.235 -11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.398 -4.480 -12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.342 -5.152 -11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.426 -3.114 -10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.461 -2.418 -12.058 1.00 0.00 H new ATOM 764 N ARG A 48 -13.995 -1.130 -11.989 1.00 0.00 N ATOM 765 CA ARG A 48 -13.903 0.113 -12.750 1.00 0.00 C ATOM 766 C ARG A 48 -12.759 0.993 -12.249 1.00 0.00 C ATOM 767 O ARG A 48 -12.667 2.167 -12.605 1.00 0.00 O ATOM 768 CB ARG A 48 -15.225 0.877 -12.667 1.00 0.00 C ATOM 769 CG ARG A 48 -15.664 1.184 -11.244 1.00 0.00 C ATOM 770 CD ARG A 48 -16.988 1.929 -11.216 1.00 0.00 C ATOM 771 NE ARG A 48 -18.079 1.135 -11.775 1.00 0.00 N ATOM 772 CZ ARG A 48 -19.356 1.503 -11.734 1.00 0.00 C ATOM 773 NH1 ARG A 48 -19.701 2.649 -11.164 1.00 0.00 N ATOM 774 NH2 ARG A 48 -20.290 0.725 -12.265 1.00 0.00 N ATOM 0 H ARG A 48 -14.193 -1.004 -10.996 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.697 -0.145 -13.789 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.129 1.812 -13.218 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.003 0.294 -13.160 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.757 0.254 -10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.899 1.781 -10.747 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.228 2.201 -10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.892 2.858 -11.778 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.848 0.248 -12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.986 3.251 -10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.681 2.929 -11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.029 -0.157 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.269 1.009 -12.233 1.00 0.00 H new ATOM 788 N TYR A 49 -11.891 0.418 -11.423 1.00 0.00 N ATOM 789 CA TYR A 49 -10.758 1.150 -10.872 1.00 0.00 C ATOM 790 C TYR A 49 -9.746 1.513 -11.951 1.00 0.00 C ATOM 791 O TYR A 49 -8.858 0.725 -12.278 1.00 0.00 O ATOM 792 CB TYR A 49 -10.070 0.329 -9.783 1.00 0.00 C ATOM 793 CG TYR A 49 -9.541 1.170 -8.644 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.459 2.021 -8.826 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.131 1.116 -7.390 1.00 0.00 C ATOM 796 CE1 TYR A 49 -7.979 2.794 -7.788 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.657 1.886 -6.345 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.581 2.724 -6.549 1.00 0.00 C ATOM 799 OH TYR A 49 -8.106 3.493 -5.512 1.00 0.00 O ATOM 0 H TYR A 49 -11.951 -0.554 -11.121 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.146 2.073 -10.442 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.776 -0.402 -9.388 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.246 -0.230 -10.226 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.986 2.079 -9.795 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.975 0.462 -7.228 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.136 3.451 -7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.127 1.832 -5.374 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.167 4.441 -5.753 1.00 0.00 H new ATOM 809 N ASN A 50 -9.897 2.706 -12.503 1.00 0.00 N ATOM 810 CA ASN A 50 -8.988 3.194 -13.536 1.00 0.00 C ATOM 811 C ASN A 50 -7.636 3.563 -12.931 1.00 0.00 C ATOM 812 O ASN A 50 -6.613 3.552 -13.616 1.00 0.00 O ATOM 813 CB ASN A 50 -9.592 4.406 -14.250 1.00 0.00 C ATOM 814 CG ASN A 50 -10.717 4.029 -15.197 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.427 2.952 -14.881 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -10.944 4.700 -16.203 1.00 0.00 N flip ATOM 0 H ASN A 50 -10.641 3.358 -12.255 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.838 2.396 -14.263 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.968 5.109 -13.507 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.810 4.920 -14.808 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.374 5.520 -16.408 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.702 4.436 -16.832 1.00 0.00 H new ATOM 823 N GLY A 51 -7.642 3.890 -11.640 1.00 0.00 N ATOM 824 CA GLY A 51 -6.416 4.255 -10.951 1.00 0.00 C ATOM 825 C GLY A 51 -6.350 5.728 -10.615 1.00 0.00 C ATOM 826 O GLY A 51 -6.593 6.583 -11.467 1.00 0.00 O ATOM 0 H GLY A 51 -8.479 3.908 -11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.333 3.673 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.562 3.990 -11.574 1.00 0.00 H new ATOM 830 N ALA A 52 -6.020 6.020 -9.366 1.00 0.00 N ATOM 831 CA ALA A 52 -5.921 7.396 -8.890 1.00 0.00 C ATOM 832 C ALA A 52 -4.474 7.787 -8.604 1.00 0.00 C ATOM 833 O ALA A 52 -3.540 7.110 -9.034 1.00 0.00 O ATOM 834 CB ALA A 52 -6.764 7.564 -7.637 1.00 0.00 C ATOM 0 H ALA A 52 -5.814 5.317 -8.656 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.293 8.055 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.689 8.592 -7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.805 7.334 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.404 6.886 -6.863 1.00 0.00 H new ATOM 840 N TYR A 53 -4.298 8.887 -7.873 1.00 0.00 N ATOM 841 CA TYR A 53 -2.970 9.371 -7.518 1.00 0.00 C ATOM 842 C TYR A 53 -2.544 8.823 -6.161 1.00 0.00 C ATOM 843 O TYR A 53 -2.993 9.295 -5.118 1.00 0.00 O ATOM 844 CB TYR A 53 -2.944 10.899 -7.501 1.00 0.00 C ATOM 845 CG TYR A 53 -2.753 11.517 -8.868 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.587 11.299 -9.591 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.737 12.317 -9.434 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.406 11.862 -10.840 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.564 12.883 -10.683 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.397 12.651 -11.382 1.00 0.00 C ATOM 851 OH TYR A 53 -2.223 13.213 -12.626 1.00 0.00 O ATOM 0 H TYR A 53 -5.063 9.459 -7.515 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.266 9.018 -8.271 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.877 11.265 -7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.140 11.233 -6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.809 10.679 -9.170 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.652 12.500 -8.890 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.493 11.684 -11.388 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.338 13.504 -11.110 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.016 13.739 -12.861 1.00 0.00 H new ATOM 861 N TRP A 54 -1.679 7.817 -6.189 1.00 0.00 N ATOM 862 CA TRP A 54 -1.188 7.181 -4.971 1.00 0.00 C ATOM 863 C TRP A 54 -0.064 7.991 -4.330 1.00 0.00 C ATOM 864 O TRP A 54 1.116 7.674 -4.489 1.00 0.00 O ATOM 865 CB TRP A 54 -0.714 5.765 -5.299 1.00 0.00 C ATOM 866 CG TRP A 54 -1.488 5.157 -6.429 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.761 4.666 -6.377 1.00 0.00 C ATOM 868 CD2 TRP A 54 -1.049 4.998 -7.782 1.00 0.00 C ATOM 869 NE1 TRP A 54 -3.142 4.212 -7.617 1.00 0.00 N ATOM 870 CE2 TRP A 54 -2.107 4.402 -8.496 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.135 5.301 -8.461 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -2.014 4.105 -9.854 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.226 5.005 -9.808 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.843 4.411 -10.492 1.00 0.00 C ATOM 0 H TRP A 54 -1.300 7.421 -7.049 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.003 7.135 -4.249 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.345 5.789 -5.557 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.812 5.137 -4.414 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.378 4.638 -5.491 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.047 3.801 -7.846 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.964 5.758 -7.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.837 3.649 -10.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.136 5.235 -10.342 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.740 4.190 -11.544 1.00 0.00 H new ATOM 885 N HIS A 55 -0.447 9.046 -3.619 1.00 0.00 N ATOM 886 CA HIS A 55 0.506 9.918 -2.943 1.00 0.00 C ATOM 887 C HIS A 55 1.488 9.117 -2.101 1.00 0.00 C ATOM 888 O HIS A 55 1.100 8.206 -1.370 1.00 0.00 O ATOM 889 CB HIS A 55 -0.227 10.921 -2.049 1.00 0.00 C ATOM 890 CG HIS A 55 -1.191 11.796 -2.787 1.00 0.00 C ATOM 891 ND1 HIS A 55 -0.920 13.107 -3.116 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.434 11.542 -3.255 1.00 0.00 C ATOM 893 CE1 HIS A 55 -1.956 13.623 -3.752 1.00 0.00 C ATOM 894 NE2 HIS A 55 -2.887 12.693 -3.851 1.00 0.00 N ATOM 0 H HIS A 55 -1.422 9.320 -3.495 1.00 0.00 H new ATOM 0 HA HIS A 55 1.062 10.454 -3.712 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.766 10.376 -1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.508 11.549 -1.546 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.054 13.602 -2.902 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.970 10.608 -3.175 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.029 14.633 -4.127 1.00 0.00 H new ATOM 903 N TYR A 56 2.762 9.467 -2.212 1.00 0.00 N ATOM 904 CA TYR A 56 3.806 8.793 -1.453 1.00 0.00 C ATOM 905 C TYR A 56 3.820 9.296 -0.014 1.00 0.00 C ATOM 906 O TYR A 56 3.776 10.502 0.232 1.00 0.00 O ATOM 907 CB TYR A 56 5.176 9.015 -2.107 1.00 0.00 C ATOM 908 CG TYR A 56 5.276 8.504 -3.532 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.362 7.579 -4.032 1.00 0.00 C ATOM 910 CD2 TYR A 56 6.288 8.944 -4.377 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.457 7.112 -5.329 1.00 0.00 C ATOM 912 CE2 TYR A 56 6.387 8.480 -5.676 1.00 0.00 C ATOM 913 CZ TYR A 56 5.470 7.566 -6.146 1.00 0.00 C ATOM 914 OH TYR A 56 5.567 7.103 -7.439 1.00 0.00 O ATOM 0 H TYR A 56 3.097 10.214 -2.820 1.00 0.00 H new ATOM 0 HA TYR A 56 3.595 7.724 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.401 10.081 -2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.938 8.524 -1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.566 7.221 -3.395 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.009 9.661 -4.013 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.741 6.394 -5.701 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.180 8.833 -6.319 1.00 0.00 H new ATOM 0 HH TYR A 56 6.335 7.523 -7.880 1.00 0.00 H new ATOM 924 N TYR A 57 3.878 8.367 0.932 1.00 0.00 N ATOM 925 CA TYR A 57 3.888 8.722 2.347 1.00 0.00 C ATOM 926 C TYR A 57 5.136 8.197 3.050 1.00 0.00 C ATOM 927 O TYR A 57 5.646 7.125 2.723 1.00 0.00 O ATOM 928 CB TYR A 57 2.632 8.189 3.040 1.00 0.00 C ATOM 929 CG TYR A 57 1.409 9.051 2.822 1.00 0.00 C ATOM 930 CD1 TYR A 57 1.119 10.107 3.678 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.544 8.810 1.762 1.00 0.00 C ATOM 932 CE1 TYR A 57 0.003 10.898 3.483 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.575 9.597 1.561 1.00 0.00 C ATOM 934 CZ TYR A 57 -0.840 10.640 2.424 1.00 0.00 C ATOM 935 OH TYR A 57 -1.952 11.426 2.226 1.00 0.00 O ATOM 0 H TYR A 57 3.919 7.365 0.747 1.00 0.00 H new ATOM 0 HA TYR A 57 3.899 9.810 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.426 7.182 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.824 8.109 4.110 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.777 10.313 4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.749 7.995 1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.208 11.715 4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.238 9.396 0.733 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.439 11.111 1.436 1.00 0.00 H new ATOM 945 N ALA A 58 5.620 8.967 4.022 1.00 0.00 N ATOM 946 CA ALA A 58 6.803 8.597 4.786 1.00 0.00 C ATOM 947 C ALA A 58 6.427 8.232 6.217 1.00 0.00 C ATOM 948 O ALA A 58 6.297 9.102 7.078 1.00 0.00 O ATOM 949 CB ALA A 58 7.816 9.732 4.775 1.00 0.00 C ATOM 0 H ALA A 58 5.205 9.857 4.298 1.00 0.00 H new ATOM 0 HA ALA A 58 7.255 7.723 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.695 9.441 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.110 9.948 3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.370 10.622 5.219 1.00 0.00 H new ATOM 955 N LEU A 59 6.247 6.941 6.461 1.00 0.00 N ATOM 956 CA LEU A 59 5.877 6.455 7.784 1.00 0.00 C ATOM 957 C LEU A 59 7.033 6.604 8.768 1.00 0.00 C ATOM 958 O LEU A 59 8.201 6.571 8.380 1.00 0.00 O ATOM 959 CB LEU A 59 5.429 4.999 7.693 1.00 0.00 C ATOM 960 CG LEU A 59 4.007 4.802 7.170 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.877 3.458 6.478 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.001 4.923 8.304 1.00 0.00 C ATOM 0 H LEU A 59 6.351 6.209 5.758 1.00 0.00 H new ATOM 0 HA LEU A 59 5.049 7.058 8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.119 4.460 7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.504 4.547 8.682 1.00 0.00 H new ATOM 0 HG LEU A 59 3.795 5.584 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.858 3.334 6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.572 3.412 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.108 2.661 7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.993 4.780 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.209 4.164 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.078 5.912 8.755 1.00 0.00 H new ATOM 974 N SER A 60 6.696 6.770 10.044 1.00 0.00 N ATOM 975 CA SER A 60 7.702 6.935 11.088 1.00 0.00 C ATOM 976 C SER A 60 8.506 5.654 11.287 1.00 0.00 C ATOM 977 O SER A 60 9.673 5.699 11.677 1.00 0.00 O ATOM 978 CB SER A 60 7.038 7.345 12.404 1.00 0.00 C ATOM 979 OG SER A 60 6.103 6.369 12.830 1.00 0.00 O ATOM 0 H SER A 60 5.733 6.794 10.380 1.00 0.00 H new ATOM 0 HA SER A 60 8.387 7.722 10.772 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.800 7.483 13.172 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.535 8.304 12.278 1.00 0.00 H new ATOM 0 HG SER A 60 6.168 6.256 13.801 1.00 0.00 H new ATOM 985 N ASP A 61 7.878 4.514 11.016 1.00 0.00 N ATOM 986 CA ASP A 61 8.545 3.226 11.166 1.00 0.00 C ATOM 987 C ASP A 61 9.580 3.016 10.068 1.00 0.00 C ATOM 988 O ASP A 61 10.487 2.194 10.203 1.00 0.00 O ATOM 989 CB ASP A 61 7.523 2.087 11.141 1.00 0.00 C ATOM 990 CG ASP A 61 6.587 2.118 12.332 1.00 0.00 C ATOM 991 OD1 ASP A 61 7.018 2.562 13.416 1.00 0.00 O ATOM 992 OD2 ASP A 61 5.424 1.690 12.180 1.00 0.00 O ATOM 0 H ASP A 61 6.912 4.456 10.693 1.00 0.00 H new ATOM 0 HA ASP A 61 9.056 3.225 12.129 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.939 2.148 10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.049 1.132 11.121 1.00 0.00 H new ATOM 997 N GLY A 62 9.438 3.763 8.977 1.00 0.00 N ATOM 998 CA GLY A 62 10.366 3.643 7.868 1.00 0.00 C ATOM 999 C GLY A 62 9.879 2.678 6.806 1.00 0.00 C ATOM 1000 O GLY A 62 10.668 2.171 6.010 1.00 0.00 O ATOM 0 H GLY A 62 8.696 4.450 8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.520 4.624 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.333 3.308 8.242 1.00 0.00 H new ATOM 1004 N GLY A 63 8.573 2.424 6.795 1.00 0.00 N ATOM 1005 CA GLY A 63 8.003 1.515 5.819 1.00 0.00 C ATOM 1006 C GLY A 63 7.571 2.226 4.551 1.00 0.00 C ATOM 1007 O GLY A 63 7.798 1.729 3.448 1.00 0.00 O ATOM 0 H GLY A 63 7.901 2.832 7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.735 0.747 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.145 1.006 6.258 1.00 0.00 H new ATOM 1011 N PHE A 64 6.949 3.392 4.714 1.00 0.00 N ATOM 1012 CA PHE A 64 6.478 4.185 3.581 1.00 0.00 C ATOM 1013 C PHE A 64 5.380 3.451 2.816 1.00 0.00 C ATOM 1014 O PHE A 64 5.556 2.305 2.404 1.00 0.00 O ATOM 1015 CB PHE A 64 7.640 4.518 2.639 1.00 0.00 C ATOM 1016 CG PHE A 64 8.641 5.478 3.218 1.00 0.00 C ATOM 1017 CD1 PHE A 64 9.320 5.178 4.388 1.00 0.00 C ATOM 1018 CD2 PHE A 64 8.902 6.684 2.589 1.00 0.00 C ATOM 1019 CE1 PHE A 64 10.240 6.061 4.919 1.00 0.00 C ATOM 1020 CE2 PHE A 64 9.821 7.571 3.114 1.00 0.00 C ATOM 1021 CZ PHE A 64 10.491 7.260 4.281 1.00 0.00 C ATOM 0 H PHE A 64 6.759 3.810 5.625 1.00 0.00 H new ATOM 0 HA PHE A 64 6.062 5.113 3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.152 3.594 2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.238 4.940 1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.127 4.242 4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.380 6.934 1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.762 5.814 5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.016 8.507 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.209 7.953 4.694 1.00 0.00 H new ATOM 1031 N TYR A 65 4.247 4.121 2.624 1.00 0.00 N ATOM 1032 CA TYR A 65 3.128 3.522 1.904 1.00 0.00 C ATOM 1033 C TYR A 65 2.508 4.514 0.920 1.00 0.00 C ATOM 1034 O TYR A 65 2.704 5.725 1.033 1.00 0.00 O ATOM 1035 CB TYR A 65 2.071 3.012 2.890 1.00 0.00 C ATOM 1036 CG TYR A 65 1.035 4.042 3.283 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.316 5.021 4.230 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.229 4.031 2.706 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.366 5.958 4.588 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.183 4.966 3.060 1.00 0.00 C ATOM 1041 CZ TYR A 65 -0.881 5.927 4.001 1.00 0.00 C ATOM 1042 OH TYR A 65 -1.829 6.857 4.356 1.00 0.00 O ATOM 0 H TYR A 65 4.080 5.072 2.954 1.00 0.00 H new ATOM 0 HA TYR A 65 3.510 2.677 1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.564 2.154 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.573 2.657 3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.292 5.049 4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.470 3.279 1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.599 6.712 5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.161 4.944 2.602 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.715 6.545 4.076 1.00 0.00 H new ATOM 1052 N MET A 66 1.759 3.985 -0.043 1.00 0.00 N ATOM 1053 CA MET A 66 1.103 4.805 -1.060 1.00 0.00 C ATOM 1054 C MET A 66 -0.412 4.728 -0.919 1.00 0.00 C ATOM 1055 O MET A 66 -0.975 3.645 -0.762 1.00 0.00 O ATOM 1056 CB MET A 66 1.513 4.339 -2.459 1.00 0.00 C ATOM 1057 CG MET A 66 2.998 4.491 -2.745 1.00 0.00 C ATOM 1058 SD MET A 66 3.536 3.519 -4.168 1.00 0.00 S ATOM 1059 CE MET A 66 2.439 4.133 -5.445 1.00 0.00 C ATOM 0 H MET A 66 1.590 2.984 -0.142 1.00 0.00 H new ATOM 0 HA MET A 66 1.417 5.839 -0.918 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.235 3.292 -2.579 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.950 4.906 -3.200 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.224 5.543 -2.922 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.566 4.186 -1.866 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.653 3.624 -6.385 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.405 3.944 -5.158 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.591 5.205 -5.571 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.068 5.881 -0.979 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.521 5.933 -0.862 1.00 0.00 C ATOM 1071 C ALA A 67 -3.143 6.695 -2.029 1.00 0.00 C ATOM 1072 O ALA A 67 -2.713 7.801 -2.355 1.00 0.00 O ATOM 1073 CB ALA A 67 -2.925 6.571 0.457 1.00 0.00 C ATOM 0 H ALA A 67 -0.620 6.788 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.895 4.910 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.012 6.602 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.524 5.984 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.529 7.585 0.507 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.168 6.110 -2.672 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.852 6.744 -3.801 1.00 0.00 C ATOM 1081 C PRO A 68 -5.533 8.042 -3.390 1.00 0.00 C ATOM 1082 O PRO A 68 -5.853 8.239 -2.218 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.891 5.702 -4.234 1.00 0.00 C ATOM 1084 CG PRO A 68 -6.069 4.816 -3.050 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.744 4.795 -2.345 1.00 0.00 C ATOM 0 HA PRO A 68 -4.161 7.017 -4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.831 6.176 -4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.546 5.138 -5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.854 5.194 -2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.364 3.812 -3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.862 4.663 -1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.113 3.980 -2.698 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.742 8.930 -4.354 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.382 10.210 -4.083 1.00 0.00 C ATOM 1095 C ASP A 69 -7.846 10.197 -4.515 1.00 0.00 C ATOM 1096 O ASP A 69 -8.172 10.572 -5.642 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.633 11.330 -4.808 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.159 12.706 -4.450 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -5.690 13.277 -3.442 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.040 13.213 -5.175 1.00 0.00 O ATOM 0 H ASP A 69 -5.478 8.787 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.348 10.387 -3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.573 11.274 -4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.717 11.181 -5.885 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.727 9.760 -3.616 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.156 9.708 -3.914 1.00 0.00 C ATOM 1107 C LEU A 70 -10.985 10.061 -2.684 1.00 0.00 C ATOM 1108 O LEU A 70 -10.918 9.383 -1.658 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.549 8.323 -4.431 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.886 7.907 -5.747 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.202 6.454 -6.065 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -10.339 8.813 -6.882 1.00 0.00 C ATOM 0 H LEU A 70 -8.478 9.439 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.361 10.445 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.302 7.584 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.631 8.295 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.806 8.009 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.723 6.174 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.829 5.817 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.281 6.328 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.858 8.503 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.421 8.743 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.063 9.843 -6.657 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.765 11.130 -2.797 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.613 11.584 -1.701 1.00 0.00 C ATOM 1126 C ALA A 71 -14.063 11.153 -1.907 1.00 0.00 C ATOM 1127 O ALA A 71 -14.730 11.609 -2.837 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.527 13.097 -1.563 1.00 0.00 C ATOM 0 H ALA A 71 -11.828 11.701 -3.640 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.253 11.121 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.164 13.424 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.496 13.386 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.859 13.566 -2.489 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.543 10.272 -1.034 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.913 9.798 -1.135 1.00 0.00 C ATOM 1136 C GLY A 72 -16.048 8.326 -0.793 1.00 0.00 C ATOM 1137 O GLY A 72 -15.186 7.755 -0.125 1.00 0.00 O ATOM 0 H GLY A 72 -14.009 9.878 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.546 10.382 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.278 9.967 -2.148 1.00 0.00 H new ATOM 1141 N ARG A 73 -17.136 7.713 -1.253 1.00 0.00 N ATOM 1142 CA ARG A 73 -17.386 6.300 -0.998 1.00 0.00 C ATOM 1143 C ARG A 73 -17.009 5.463 -2.213 1.00 0.00 C ATOM 1144 O ARG A 73 -17.730 5.433 -3.211 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.857 6.067 -0.639 1.00 0.00 C ATOM 1146 CG ARG A 73 -19.261 6.648 0.708 1.00 0.00 C ATOM 1147 CD ARG A 73 -19.435 8.157 0.639 1.00 0.00 C ATOM 1148 NE ARG A 73 -20.521 8.542 -0.257 1.00 0.00 N ATOM 1149 CZ ARG A 73 -20.949 9.792 -0.406 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -20.385 10.775 0.284 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -21.942 10.060 -1.242 1.00 0.00 N ATOM 0 H ARG A 73 -17.859 8.175 -1.805 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.768 5.994 -0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -19.484 6.505 -1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -19.055 4.995 -0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.193 6.189 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.504 6.402 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -19.634 8.545 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -18.506 8.614 0.299 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.978 7.810 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -19.622 10.572 0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -20.714 11.733 0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -22.379 9.307 -1.773 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -22.269 11.020 -1.355 1.00 0.00 H new ATOM 1165 N LEU A 74 -15.872 4.789 -2.120 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.387 3.949 -3.209 1.00 0.00 C ATOM 1167 C LEU A 74 -15.871 2.515 -3.041 1.00 0.00 C ATOM 1168 O LEU A 74 -15.298 1.742 -2.273 1.00 0.00 O ATOM 1169 CB LEU A 74 -13.859 3.979 -3.261 1.00 0.00 C ATOM 1170 CG LEU A 74 -13.240 5.374 -3.369 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -11.730 5.296 -3.205 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.601 6.016 -4.701 1.00 0.00 C ATOM 0 H LEU A 74 -15.266 4.807 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 74 -15.784 4.343 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.471 3.495 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.528 3.385 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.643 5.995 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.303 6.296 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.491 4.876 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.312 4.660 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.152 7.008 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.225 5.398 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.685 6.103 -4.781 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.935 2.166 -3.757 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.491 0.828 -3.687 1.00 0.00 C ATOM 1186 C GLU A 75 -16.511 -0.193 -4.251 1.00 0.00 C ATOM 1187 O GLU A 75 -16.475 -0.438 -5.458 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.813 0.772 -4.452 1.00 0.00 C ATOM 1189 CG GLU A 75 -19.474 -0.589 -4.407 1.00 0.00 C ATOM 1190 CD GLU A 75 -20.823 -0.607 -5.095 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.861 -0.850 -6.321 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -21.842 -0.380 -4.411 1.00 0.00 O ATOM 0 H GLU A 75 -17.427 2.795 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.675 0.583 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -19.496 1.514 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -18.635 1.048 -5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -18.820 -1.322 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -19.597 -0.895 -3.368 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.709 -0.777 -3.368 1.00 0.00 N ATOM 1200 CA ILE A 76 -14.721 -1.770 -3.768 1.00 0.00 C ATOM 1201 C ILE A 76 -15.248 -3.188 -3.554 1.00 0.00 C ATOM 1202 O ILE A 76 -16.112 -3.426 -2.710 1.00 0.00 O ATOM 1203 CB ILE A 76 -13.393 -1.567 -2.994 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.519 -0.529 -3.714 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -12.640 -2.882 -2.814 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.547 -1.120 -4.713 1.00 0.00 C ATOM 0 H ILE A 76 -15.725 -0.579 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.527 -1.635 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.634 -1.196 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.167 0.179 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.958 0.036 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.715 -2.700 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.260 -3.583 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.407 -3.304 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.969 -0.320 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.872 -1.806 -4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -12.099 -1.660 -5.482 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.713 -4.121 -4.331 1.00 0.00 N ATOM 1219 CA GLU A 77 -15.105 -5.522 -4.248 1.00 0.00 C ATOM 1220 C GLU A 77 -13.863 -6.399 -4.145 1.00 0.00 C ATOM 1221 O GLU A 77 -13.295 -6.822 -5.152 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.956 -5.923 -5.457 1.00 0.00 C ATOM 1223 CG GLU A 77 -15.351 -5.529 -6.796 1.00 0.00 C ATOM 1224 CD GLU A 77 -16.256 -5.860 -7.967 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -16.242 -7.025 -8.416 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -16.978 -4.954 -8.434 1.00 0.00 O ATOM 0 H GLU A 77 -13.999 -3.929 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.712 -5.665 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.106 -7.003 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.940 -5.463 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.142 -4.459 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.397 -6.040 -6.924 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.454 -6.670 -2.913 1.00 0.00 N ATOM 1234 CA VAL A 78 -12.269 -7.461 -2.649 1.00 0.00 C ATOM 1235 C VAL A 78 -12.500 -8.922 -3.003 1.00 0.00 C ATOM 1236 O VAL A 78 -13.086 -9.668 -2.221 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.886 -7.348 -1.164 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -10.515 -7.932 -0.921 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.937 -5.897 -0.709 1.00 0.00 C ATOM 0 H VAL A 78 -13.935 -6.347 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.458 -7.077 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.608 -7.918 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.263 -7.842 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.512 -8.984 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.779 -7.392 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.663 -5.836 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.238 -5.305 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.946 -5.508 -0.844 1.00 0.00 H new ATOM 1249 N ASN A 79 -12.044 -9.334 -4.185 1.00 0.00 N ATOM 1250 CA ASN A 79 -12.224 -10.716 -4.625 1.00 0.00 C ATOM 1251 C ASN A 79 -11.364 -11.669 -3.808 1.00 0.00 C ATOM 1252 O ASN A 79 -11.778 -12.791 -3.512 1.00 0.00 O ATOM 1253 CB ASN A 79 -11.872 -10.847 -6.106 1.00 0.00 C ATOM 1254 CG ASN A 79 -12.406 -9.693 -6.924 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -11.671 -8.590 -6.923 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -13.468 -9.787 -7.539 1.00 0.00 N flip ATOM 0 H ASN A 79 -11.552 -8.737 -4.849 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.270 -10.982 -4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.789 -10.898 -6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.277 -11.782 -6.493 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.999 -10.657 -7.510 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.817 -8.995 -8.078 1.00 0.00 H new ATOM 1263 N GLY A 80 -10.159 -11.219 -3.461 1.00 0.00 N ATOM 1264 CA GLY A 80 -9.250 -12.039 -2.677 1.00 0.00 C ATOM 1265 C GLY A 80 -9.941 -12.740 -1.522 1.00 0.00 C ATOM 1266 O GLY A 80 -9.477 -13.778 -1.049 1.00 0.00 O ATOM 0 H GLY A 80 -9.796 -10.299 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.789 -12.784 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.446 -11.413 -2.288 1.00 0.00 H new ATOM 1270 N ASN A 81 -11.053 -12.169 -1.073 1.00 0.00 N ATOM 1271 CA ASN A 81 -11.821 -12.739 0.023 1.00 0.00 C ATOM 1272 C ASN A 81 -13.319 -12.562 -0.209 1.00 0.00 C ATOM 1273 O ASN A 81 -14.131 -12.885 0.658 1.00 0.00 O ATOM 1274 CB ASN A 81 -11.424 -12.080 1.338 1.00 0.00 C ATOM 1275 CG ASN A 81 -11.513 -10.572 1.261 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.264 -10.023 0.459 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.741 -9.894 2.089 1.00 0.00 N ATOM 0 H ASN A 81 -11.443 -11.307 -1.455 1.00 0.00 H new ATOM 0 HA ASN A 81 -11.602 -13.806 0.071 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -12.072 -12.442 2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.406 -12.371 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.754 -8.874 2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.132 -10.390 2.740 1.00 0.00 H new ATOM 1284 N GLY A 82 -13.682 -12.048 -1.384 1.00 0.00 N ATOM 1285 CA GLY A 82 -15.081 -11.836 -1.698 1.00 0.00 C ATOM 1286 C GLY A 82 -15.729 -10.792 -0.810 1.00 0.00 C ATOM 1287 O GLY A 82 -16.953 -10.736 -0.705 1.00 0.00 O ATOM 0 H GLY A 82 -13.031 -11.776 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.173 -11.528 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.619 -12.778 -1.596 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.909 -9.963 -0.171 1.00 0.00 N ATOM 1292 CA PHE A 83 -15.420 -8.926 0.712 1.00 0.00 C ATOM 1293 C PHE A 83 -15.750 -7.652 -0.055 1.00 0.00 C ATOM 1294 O PHE A 83 -14.863 -6.865 -0.385 1.00 0.00 O ATOM 1295 CB PHE A 83 -14.411 -8.616 1.822 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.652 -7.297 2.502 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.842 -7.050 3.169 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.691 -6.299 2.461 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -16.067 -5.833 3.783 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -13.911 -5.080 3.073 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.101 -4.846 3.734 1.00 0.00 C ATOM 0 H PHE A 83 -13.892 -9.991 -0.249 1.00 0.00 H new ATOM 0 HA PHE A 83 -16.339 -9.304 1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -14.447 -9.411 2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.406 -8.620 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -16.601 -7.817 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.759 -6.476 1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.997 -5.653 4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.154 -4.311 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.276 -3.893 4.212 1.00 0.00 H new ATOM 1311 N ARG A 84 -17.030 -7.460 -0.348 1.00 0.00 N ATOM 1312 CA ARG A 84 -17.472 -6.261 -1.040 1.00 0.00 C ATOM 1313 C ARG A 84 -17.641 -5.144 -0.022 1.00 0.00 C ATOM 1314 O ARG A 84 -18.597 -5.144 0.754 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.790 -6.514 -1.777 1.00 0.00 C ATOM 1316 CG ARG A 84 -19.321 -5.293 -2.512 1.00 0.00 C ATOM 1317 CD ARG A 84 -20.632 -5.593 -3.219 1.00 0.00 C ATOM 1318 NE ARG A 84 -21.198 -4.404 -3.850 1.00 0.00 N ATOM 1319 CZ ARG A 84 -22.297 -4.417 -4.598 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -22.942 -5.557 -4.816 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -22.752 -3.292 -5.131 1.00 0.00 N ATOM 0 H ARG A 84 -17.775 -8.117 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.726 -5.975 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.647 -7.324 -2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.539 -6.850 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.467 -4.477 -1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -18.583 -4.956 -3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -20.469 -6.361 -3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -21.346 -5.998 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 84 -20.723 -3.512 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -22.595 -6.425 -4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -23.785 -5.564 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -22.259 -2.414 -4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -23.595 -3.304 -5.705 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.714 -4.193 -0.022 1.00 0.00 N ATOM 1336 CA GLY A 85 -16.792 -3.115 0.947 1.00 0.00 C ATOM 1337 C GLY A 85 -16.475 -1.746 0.380 1.00 0.00 C ATOM 1338 O GLY A 85 -15.539 -1.585 -0.401 1.00 0.00 O ATOM 0 H GLY A 85 -15.922 -4.148 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.795 -3.096 1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.103 -3.326 1.765 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.272 -0.759 0.783 1.00 0.00 N ATOM 1343 CA GLU A 86 -17.077 0.618 0.350 1.00 0.00 C ATOM 1344 C GLU A 86 -16.144 1.327 1.325 1.00 0.00 C ATOM 1345 O GLU A 86 -16.455 1.451 2.509 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.419 1.353 0.286 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.457 0.656 -0.578 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.812 1.336 -0.521 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -21.614 0.986 0.370 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -21.069 2.218 -1.366 1.00 0.00 O ATOM 0 H GLU A 86 -18.063 -0.891 1.413 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.634 0.618 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.813 1.460 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.254 2.359 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.109 0.633 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.560 -0.379 -0.253 1.00 0.00 H new ATOM 1357 N LEU A 87 -15.003 1.790 0.831 1.00 0.00 N ATOM 1358 CA LEU A 87 -14.030 2.459 1.686 1.00 0.00 C ATOM 1359 C LEU A 87 -13.427 3.677 0.997 1.00 0.00 C ATOM 1360 O LEU A 87 -13.590 3.868 -0.208 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.922 1.476 2.074 1.00 0.00 C ATOM 1362 CG LEU A 87 -12.084 1.872 3.292 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.977 2.157 4.492 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -11.084 0.774 3.620 1.00 0.00 C ATOM 0 H LEU A 87 -14.730 1.716 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.546 2.803 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.375 0.504 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.255 1.353 1.221 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.537 2.784 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.360 2.436 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.658 2.974 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.553 1.265 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.494 1.067 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.618 -0.151 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.423 0.618 2.768 1.00 0.00 H new ATOM 1376 N SER A 88 -12.728 4.500 1.775 1.00 0.00 N ATOM 1377 CA SER A 88 -12.092 5.696 1.245 1.00 0.00 C ATOM 1378 C SER A 88 -10.838 5.322 0.466 1.00 0.00 C ATOM 1379 O SER A 88 -10.604 4.149 0.181 1.00 0.00 O ATOM 1380 CB SER A 88 -11.738 6.656 2.382 1.00 0.00 C ATOM 1381 OG SER A 88 -12.893 7.032 3.112 1.00 0.00 O ATOM 0 H SER A 88 -12.590 4.357 2.775 1.00 0.00 H new ATOM 0 HA SER A 88 -12.790 6.193 0.571 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.020 6.183 3.051 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.256 7.545 1.975 1.00 0.00 H new ATOM 0 HG SER A 88 -12.639 7.644 3.834 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.036 6.320 0.121 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.807 6.080 -0.620 1.00 0.00 C ATOM 1389 C ALA A 89 -7.633 5.862 0.326 1.00 0.00 C ATOM 1390 O ALA A 89 -6.622 5.269 -0.046 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.524 7.238 -1.562 1.00 0.00 C ATOM 0 H ALA A 89 -10.214 7.300 0.342 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.937 5.173 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.602 7.045 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.349 7.344 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.418 8.158 -0.987 1.00 0.00 H new ATOM 1397 N ASP A 90 -7.781 6.343 1.553 1.00 0.00 N ATOM 1398 CA ASP A 90 -6.736 6.202 2.559 1.00 0.00 C ATOM 1399 C ASP A 90 -6.779 4.820 3.204 1.00 0.00 C ATOM 1400 O ASP A 90 -5.799 4.079 3.161 1.00 0.00 O ATOM 1401 CB ASP A 90 -6.883 7.284 3.630 1.00 0.00 C ATOM 1402 CG ASP A 90 -5.794 7.210 4.682 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -4.690 7.736 4.431 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -6.044 6.621 5.755 1.00 0.00 O ATOM 0 H ASP A 90 -8.614 6.834 1.876 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.772 6.318 2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.860 8.265 3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.856 7.185 4.111 1.00 0.00 H new ATOM 1409 N ALA A 91 -7.920 4.476 3.796 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.079 3.183 4.459 1.00 0.00 C ATOM 1411 C ALA A 91 -8.027 2.030 3.461 1.00 0.00 C ATOM 1412 O ALA A 91 -7.934 0.867 3.854 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.380 3.145 5.249 1.00 0.00 C ATOM 0 H ALA A 91 -8.747 5.072 3.831 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.244 3.061 5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.482 2.175 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.370 3.931 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.221 3.302 4.573 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.089 2.351 2.172 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.039 1.333 1.131 1.00 0.00 C ATOM 1421 C ALA A 92 -6.632 1.220 0.567 1.00 0.00 C ATOM 1422 O ALA A 92 -6.190 0.137 0.186 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.034 1.651 0.027 1.00 0.00 C ATOM 0 H ALA A 92 -8.174 3.306 1.825 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.311 0.374 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.983 0.880 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.041 1.683 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.793 2.619 -0.413 1.00 0.00 H new ATOM 1429 N GLY A 93 -5.931 2.349 0.516 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.574 2.350 0.014 1.00 0.00 C ATOM 1431 C GLY A 93 -3.671 1.482 0.863 1.00 0.00 C ATOM 1432 O GLY A 93 -2.630 1.016 0.402 1.00 0.00 O ATOM 0 H GLY A 93 -6.280 3.260 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.565 1.990 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.191 3.370 -0.002 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.080 1.265 2.110 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.310 0.441 3.034 1.00 0.00 C ATOM 1438 C ILE A 94 -3.260 -1.002 2.548 1.00 0.00 C ATOM 1439 O ILE A 94 -2.224 -1.662 2.621 1.00 0.00 O ATOM 1440 CB ILE A 94 -3.907 0.454 4.460 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.471 1.835 4.816 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -2.858 0.030 5.477 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.494 2.974 4.613 1.00 0.00 C ATOM 0 H ILE A 94 -4.940 1.648 2.503 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.307 0.866 3.069 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.731 -0.260 4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.359 2.020 4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.791 1.827 5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.293 0.044 6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.513 -0.978 5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.015 0.720 5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.970 3.915 4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.616 2.816 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.192 3.012 3.566 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.395 -1.480 2.049 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.513 -2.844 1.552 1.00 0.00 C ATOM 1457 C VAL A 95 -3.887 -2.999 0.167 1.00 0.00 C ATOM 1458 O VAL A 95 -3.416 -4.077 -0.192 1.00 0.00 O ATOM 1459 CB VAL A 95 -5.991 -3.274 1.481 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.114 -4.728 1.054 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.679 -3.042 2.817 1.00 0.00 C ATOM 0 H VAL A 95 -5.254 -0.935 1.978 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.976 -3.482 2.254 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.488 -2.661 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.167 -5.007 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.664 -4.857 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.599 -5.364 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.722 -3.351 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.178 -3.625 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.631 -1.983 3.072 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.878 -1.918 -0.607 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.323 -1.952 -1.957 1.00 0.00 C ATOM 1473 C ALA A 96 -1.804 -2.122 -1.953 1.00 0.00 C ATOM 1474 O ALA A 96 -1.267 -2.971 -2.664 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.702 -0.687 -2.709 1.00 0.00 C ATOM 0 H ALA A 96 -4.247 -1.010 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.748 -2.820 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.283 -0.722 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.788 -0.612 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.307 0.182 -2.182 1.00 0.00 H new ATOM 1481 N THR A 97 -1.117 -1.315 -1.150 1.00 0.00 N ATOM 1482 CA THR A 97 0.340 -1.373 -1.075 1.00 0.00 C ATOM 1483 C THR A 97 0.826 -2.559 -0.244 1.00 0.00 C ATOM 1484 O THR A 97 1.811 -3.208 -0.599 1.00 0.00 O ATOM 1485 CB THR A 97 0.926 -0.075 -0.490 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.339 -0.216 -0.299 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.263 0.273 0.833 1.00 0.00 C ATOM 0 H THR A 97 -1.544 -0.615 -0.543 1.00 0.00 H new ATOM 0 HA THR A 97 0.691 -1.498 -2.099 1.00 0.00 H new ATOM 0 HB THR A 97 0.734 0.732 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.703 0.615 0.072 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.695 1.194 1.225 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.807 0.411 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.425 -0.536 1.545 1.00 0.00 H new ATOM 1495 N LEU A 98 0.142 -2.837 0.864 1.00 0.00 N ATOM 1496 CA LEU A 98 0.515 -3.939 1.740 1.00 0.00 C ATOM 1497 C LEU A 98 0.698 -5.238 0.960 1.00 0.00 C ATOM 1498 O LEU A 98 1.754 -5.869 1.028 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.548 -4.134 2.817 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.015 -4.663 4.143 1.00 0.00 C ATOM 1501 CD1 LEU A 98 0.606 -3.537 4.956 1.00 0.00 C ATOM 1502 CD2 LEU A 98 -1.119 -5.347 4.935 1.00 0.00 C ATOM 0 H LEU A 98 -0.675 -2.311 1.175 1.00 0.00 H new ATOM 0 HA LEU A 98 1.467 -3.685 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.046 -3.181 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.304 -4.824 2.443 1.00 0.00 H new ATOM 0 HG LEU A 98 0.758 -5.401 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.981 -3.934 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.429 -3.095 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.147 -2.775 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.715 -5.717 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.917 -4.633 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.517 -6.182 4.358 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.335 -5.633 0.224 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.296 -6.863 -0.561 1.00 0.00 C ATOM 1516 C PHE A 99 0.870 -6.865 -1.548 1.00 0.00 C ATOM 1517 O PHE A 99 1.391 -7.924 -1.900 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.616 -7.056 -1.309 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.678 -7.730 -0.489 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.403 -7.020 0.457 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -2.951 -9.077 -0.663 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.380 -7.643 1.211 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -3.926 -9.705 0.089 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.641 -8.987 1.027 1.00 0.00 C ATOM 0 H PHE A 99 -1.213 -5.118 0.154 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.149 -7.692 0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.984 -6.084 -1.637 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.432 -7.646 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.202 -5.969 0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.395 -9.643 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.939 -7.079 1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.128 -10.756 -0.057 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.403 -9.475 1.616 1.00 0.00 H new ATOM 1534 N ALA A 100 1.275 -5.680 -1.991 1.00 0.00 N ATOM 1535 CA ALA A 100 2.379 -5.559 -2.937 1.00 0.00 C ATOM 1536 C ALA A 100 3.690 -6.028 -2.313 1.00 0.00 C ATOM 1537 O ALA A 100 4.475 -6.731 -2.949 1.00 0.00 O ATOM 1538 CB ALA A 100 2.508 -4.122 -3.421 1.00 0.00 C ATOM 0 H ALA A 100 0.857 -4.792 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 100 2.162 -6.200 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.336 -4.048 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.584 -3.820 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.697 -3.467 -2.570 1.00 0.00 H new ATOM 1544 N LEU A 101 3.917 -5.633 -1.065 1.00 0.00 N ATOM 1545 CA LEU A 101 5.129 -6.009 -0.346 1.00 0.00 C ATOM 1546 C LEU A 101 5.256 -7.526 -0.228 1.00 0.00 C ATOM 1547 O LEU A 101 6.342 -8.082 -0.397 1.00 0.00 O ATOM 1548 CB LEU A 101 5.128 -5.383 1.051 1.00 0.00 C ATOM 1549 CG LEU A 101 5.096 -3.854 1.076 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.864 -3.348 2.492 1.00 0.00 C ATOM 1551 CD2 LEU A 101 6.387 -3.285 0.509 1.00 0.00 C ATOM 0 H LEU A 101 3.275 -5.050 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 101 5.982 -5.636 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.264 -5.758 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.016 -5.721 1.585 1.00 0.00 H new ATOM 0 HG LEU A 101 4.269 -3.516 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.844 -2.258 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.912 -3.728 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.670 -3.695 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.347 -2.196 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.230 -3.631 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.511 -3.619 -0.521 1.00 0.00 H new ATOM 1563 N GLY A 102 4.141 -8.188 0.062 1.00 0.00 N ATOM 1564 CA GLY A 102 4.150 -9.633 0.204 1.00 0.00 C ATOM 1565 C GLY A 102 4.489 -10.350 -1.089 1.00 0.00 C ATOM 1566 O GLY A 102 5.003 -11.469 -1.068 1.00 0.00 O ATOM 0 H GLY A 102 3.231 -7.750 0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.873 -9.913 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.172 -9.965 0.552 1.00 0.00 H new ATOM 1570 N GLN A 103 4.202 -9.707 -2.217 1.00 0.00 N ATOM 1571 CA GLN A 103 4.479 -10.297 -3.521 1.00 0.00 C ATOM 1572 C GLN A 103 5.950 -10.134 -3.895 1.00 0.00 C ATOM 1573 O GLN A 103 6.587 -11.077 -4.360 1.00 0.00 O ATOM 1574 CB GLN A 103 3.592 -9.663 -4.594 1.00 0.00 C ATOM 1575 CG GLN A 103 3.782 -10.269 -5.976 1.00 0.00 C ATOM 1576 CD GLN A 103 2.894 -9.632 -7.028 1.00 0.00 C ATOM 1577 OE1 GLN A 103 1.712 -9.183 -6.620 1.00 0.00 O flip ATOM 1578 NE2 GLN A 103 3.264 -9.550 -8.200 1.00 0.00 N flip ATOM 0 H GLN A 103 3.779 -8.780 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 103 4.256 -11.362 -3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.548 -9.769 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.802 -8.595 -4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.825 -10.161 -6.274 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.573 -11.338 -5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.180 -9.907 -8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.655 -9.125 -8.899 1.00 0.00 H new ATOM 1587 N LEU A 104 6.482 -8.932 -3.687 1.00 0.00 N ATOM 1588 CA LEU A 104 7.880 -8.645 -4.004 1.00 0.00 C ATOM 1589 C LEU A 104 8.821 -9.560 -3.230 1.00 0.00 C ATOM 1590 O LEU A 104 9.764 -10.117 -3.793 1.00 0.00 O ATOM 1591 CB LEU A 104 8.206 -7.183 -3.689 1.00 0.00 C ATOM 1592 CG LEU A 104 7.741 -6.172 -4.739 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.905 -4.751 -4.219 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.515 -6.359 -6.035 1.00 0.00 C ATOM 0 H LEU A 104 5.967 -8.141 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 104 8.024 -8.826 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.752 -6.924 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.285 -7.086 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 104 6.684 -6.344 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.570 -4.045 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.309 -4.623 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.955 -4.566 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.172 -5.632 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.579 -6.212 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.349 -7.367 -6.416 1.00 0.00 H new ATOM 1606 N ALA A 105 8.560 -9.710 -1.936 1.00 0.00 N ATOM 1607 CA ALA A 105 9.387 -10.550 -1.079 1.00 0.00 C ATOM 1608 C ALA A 105 9.455 -11.982 -1.600 1.00 0.00 C ATOM 1609 O ALA A 105 10.484 -12.647 -1.487 1.00 0.00 O ATOM 1610 CB ALA A 105 8.853 -10.532 0.345 1.00 0.00 C ATOM 0 H ALA A 105 7.780 -9.259 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 105 10.399 -10.144 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.479 -11.163 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.867 -9.511 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.830 -10.909 0.355 1.00 0.00 H new ATOM 1616 N ALA A 106 8.352 -12.449 -2.174 1.00 0.00 N ATOM 1617 CA ALA A 106 8.280 -13.805 -2.706 1.00 0.00 C ATOM 1618 C ALA A 106 8.553 -13.837 -4.206 1.00 0.00 C ATOM 1619 O ALA A 106 8.644 -14.908 -4.805 1.00 0.00 O ATOM 1620 CB ALA A 106 6.916 -14.403 -2.412 1.00 0.00 C ATOM 0 H ALA A 106 7.494 -11.908 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 106 9.052 -14.398 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.869 -15.416 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.756 -14.431 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.143 -13.792 -2.878 1.00 0.00 H new ATOM 1626 N GLU A 107 8.681 -12.660 -4.808 1.00 0.00 N ATOM 1627 CA GLU A 107 8.936 -12.559 -6.241 1.00 0.00 C ATOM 1628 C GLU A 107 10.432 -12.605 -6.544 1.00 0.00 C ATOM 1629 O GLU A 107 10.847 -13.143 -7.570 1.00 0.00 O ATOM 1630 CB GLU A 107 8.334 -11.266 -6.796 1.00 0.00 C ATOM 1631 CG GLU A 107 8.546 -11.085 -8.290 1.00 0.00 C ATOM 1632 CD GLU A 107 7.949 -9.792 -8.812 1.00 0.00 C ATOM 1633 OE1 GLU A 107 8.654 -8.762 -8.789 1.00 0.00 O ATOM 1634 OE2 GLU A 107 6.776 -9.811 -9.241 1.00 0.00 O ATOM 0 H GLU A 107 8.613 -11.763 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 107 8.464 -13.414 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.265 -11.254 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.772 -10.417 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.614 -11.101 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.101 -11.927 -8.821 1.00 0.00 H new ATOM 1641 N ILE A 108 11.235 -12.038 -5.649 1.00 0.00 N ATOM 1642 CA ILE A 108 12.682 -12.012 -5.833 1.00 0.00 C ATOM 1643 C ILE A 108 13.278 -13.416 -5.764 1.00 0.00 C ATOM 1644 O ILE A 108 14.439 -13.619 -6.119 1.00 0.00 O ATOM 1645 CB ILE A 108 13.371 -11.117 -4.786 1.00 0.00 C ATOM 1646 CG1 ILE A 108 13.042 -11.597 -3.371 1.00 0.00 C ATOM 1647 CG2 ILE A 108 12.950 -9.666 -4.974 1.00 0.00 C ATOM 1648 CD1 ILE A 108 13.806 -10.863 -2.290 1.00 0.00 C ATOM 0 H ILE A 108 10.910 -11.592 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 108 12.862 -11.597 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 108 14.450 -11.184 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.973 -11.477 -3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.259 -12.663 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.444 -9.044 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.235 -9.331 -5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.869 -9.583 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 108 13.522 -11.256 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 108 14.876 -11.004 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.570 -9.800 -2.336 1.00 0.00 H new ATOM 1660 N ALA A 109 12.474 -14.375 -5.307 1.00 0.00 N ATOM 1661 CA ALA A 109 12.908 -15.768 -5.191 1.00 0.00 C ATOM 1662 C ALA A 109 13.947 -15.945 -4.085 1.00 0.00 C ATOM 1663 O ALA A 109 13.658 -16.535 -3.044 1.00 0.00 O ATOM 1664 CB ALA A 109 13.453 -16.272 -6.520 1.00 0.00 C ATOM 0 H ALA A 109 11.512 -14.212 -5.009 1.00 0.00 H new ATOM 0 HA ALA A 109 12.035 -16.362 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 109 13.770 -17.309 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 109 12.675 -16.207 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 109 14.305 -15.661 -6.819 1.00 0.00 H new ATOM 1670 N ASP A 110 15.157 -15.440 -4.323 1.00 0.00 N ATOM 1671 CA ASP A 110 16.243 -15.544 -3.351 1.00 0.00 C ATOM 1672 C ASP A 110 15.756 -15.229 -1.940 1.00 0.00 C ATOM 1673 O ASP A 110 14.996 -14.284 -1.730 1.00 0.00 O ATOM 1674 CB ASP A 110 17.387 -14.600 -3.729 1.00 0.00 C ATOM 1675 CG ASP A 110 16.948 -13.150 -3.782 1.00 0.00 C ATOM 1676 OD1 ASP A 110 16.953 -12.489 -2.722 1.00 0.00 O ATOM 1677 OD2 ASP A 110 16.599 -12.675 -4.883 1.00 0.00 O ATOM 0 H ASP A 110 15.410 -14.954 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 110 16.605 -16.572 -3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 110 18.195 -14.706 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.788 -14.891 -4.700 1.00 0.00 H new ATOM 1682 N THR A 111 16.202 -16.030 -0.977 1.00 0.00 N ATOM 1683 CA THR A 111 15.812 -15.846 0.416 1.00 0.00 C ATOM 1684 C THR A 111 16.782 -14.922 1.146 1.00 0.00 C ATOM 1685 O THR A 111 16.724 -14.787 2.368 1.00 0.00 O ATOM 1686 CB THR A 111 15.747 -17.193 1.161 1.00 0.00 C ATOM 1687 OG1 THR A 111 17.049 -17.790 1.209 1.00 0.00 O ATOM 1688 CG2 THR A 111 14.774 -18.143 0.481 1.00 0.00 C ATOM 0 H THR A 111 16.835 -16.814 -1.137 1.00 0.00 H new ATOM 0 HA THR A 111 14.821 -15.392 0.408 1.00 0.00 H new ATOM 0 HB THR A 111 15.396 -17.004 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 111 17.000 -18.645 1.686 1.00 0.00 H new ATOM 0 HG21 THR A 111 14.746 -19.087 1.026 1.00 0.00 H new ATOM 0 HG22 THR A 111 13.778 -17.699 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 111 15.099 -18.325 -0.543 1.00 0.00 H new ATOM 1696 N ASP A 112 17.672 -14.287 0.391 1.00 0.00 N ATOM 1697 CA ASP A 112 18.656 -13.377 0.970 1.00 0.00 C ATOM 1698 C ASP A 112 17.995 -12.090 1.454 1.00 0.00 C ATOM 1699 O ASP A 112 18.089 -11.738 2.630 1.00 0.00 O ATOM 1700 CB ASP A 112 19.745 -13.052 -0.055 1.00 0.00 C ATOM 1701 CG ASP A 112 20.558 -14.271 -0.442 1.00 0.00 C ATOM 1702 OD1 ASP A 112 20.120 -15.015 -1.345 1.00 0.00 O ATOM 1703 OD2 ASP A 112 21.634 -14.483 0.158 1.00 0.00 O ATOM 0 H ASP A 112 17.733 -14.385 -0.622 1.00 0.00 H new ATOM 0 HA ASP A 112 19.109 -13.873 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 112 19.285 -12.628 -0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 112 20.409 -12.291 0.354 1.00 0.00 H new ATOM 1708 N ALA A 113 17.329 -11.389 0.540 1.00 0.00 N ATOM 1709 CA ALA A 113 16.657 -10.140 0.875 1.00 0.00 C ATOM 1710 C ALA A 113 15.147 -10.335 0.976 1.00 0.00 C ATOM 1711 O ALA A 113 14.394 -9.369 1.103 1.00 0.00 O ATOM 1712 CB ALA A 113 16.986 -9.072 -0.157 1.00 0.00 C ATOM 0 H ALA A 113 17.241 -11.666 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 113 17.018 -9.813 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 113 16.478 -8.144 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 113 18.063 -8.903 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 113 16.654 -9.402 -1.141 1.00 0.00 H new ATOM 1718 N ALA A 114 14.712 -11.590 0.919 1.00 0.00 N ATOM 1719 CA ALA A 114 13.292 -11.918 1.002 1.00 0.00 C ATOM 1720 C ALA A 114 12.745 -11.660 2.401 1.00 0.00 C ATOM 1721 O ALA A 114 11.546 -11.796 2.645 1.00 0.00 O ATOM 1722 CB ALA A 114 13.068 -13.369 0.611 1.00 0.00 C ATOM 0 H ALA A 114 15.324 -12.399 0.815 1.00 0.00 H new ATOM 0 HA ALA A 114 12.755 -11.272 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 114 12.006 -13.604 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 114 13.413 -13.528 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.625 -14.018 1.287 1.00 0.00 H new ATOM 1728 N ASP A 115 13.631 -11.288 3.315 1.00 0.00 N ATOM 1729 CA ASP A 115 13.243 -11.017 4.692 1.00 0.00 C ATOM 1730 C ASP A 115 13.601 -9.591 5.096 1.00 0.00 C ATOM 1731 O ASP A 115 13.258 -9.148 6.192 1.00 0.00 O ATOM 1732 CB ASP A 115 13.916 -12.011 5.640 1.00 0.00 C ATOM 1733 CG ASP A 115 13.447 -13.434 5.412 1.00 0.00 C ATOM 1734 OD1 ASP A 115 12.401 -13.812 5.984 1.00 0.00 O ATOM 1735 OD2 ASP A 115 14.122 -14.170 4.664 1.00 0.00 O ATOM 0 H ASP A 115 14.626 -11.167 3.127 1.00 0.00 H new ATOM 0 HA ASP A 115 12.161 -11.131 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 115 14.997 -11.962 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.709 -11.724 6.671 1.00 0.00 H new ATOM 1740 N ALA A 116 14.291 -8.871 4.213 1.00 0.00 N ATOM 1741 CA ALA A 116 14.685 -7.498 4.497 1.00 0.00 C ATOM 1742 C ALA A 116 13.572 -6.524 4.135 1.00 0.00 C ATOM 1743 O ALA A 116 13.143 -5.724 4.968 1.00 0.00 O ATOM 1744 CB ALA A 116 15.961 -7.150 3.744 1.00 0.00 C ATOM 0 H ALA A 116 14.586 -9.216 3.300 1.00 0.00 H new ATOM 0 HA ALA A 116 14.873 -7.412 5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 116 16.245 -6.121 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.761 -7.822 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 116 15.792 -7.258 2.673 1.00 0.00 H new ATOM 1750 N LEU A 117 13.108 -6.589 2.888 1.00 0.00 N ATOM 1751 CA LEU A 117 12.037 -5.709 2.434 1.00 0.00 C ATOM 1752 C LEU A 117 10.765 -5.986 3.223 1.00 0.00 C ATOM 1753 O LEU A 117 9.835 -5.180 3.233 1.00 0.00 O ATOM 1754 CB LEU A 117 11.797 -5.869 0.918 1.00 0.00 C ATOM 1755 CG LEU A 117 10.988 -7.097 0.460 1.00 0.00 C ATOM 1756 CD1 LEU A 117 11.451 -8.361 1.170 1.00 0.00 C ATOM 1757 CD2 LEU A 117 9.496 -6.875 0.673 1.00 0.00 C ATOM 0 H LEU A 117 13.455 -7.237 2.180 1.00 0.00 H new ATOM 0 HA LEU A 117 12.336 -4.676 2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.286 -4.975 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.768 -5.900 0.424 1.00 0.00 H new ATOM 0 HG LEU A 117 11.165 -7.230 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.860 -9.209 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 117 12.504 -8.538 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.321 -8.242 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.946 -7.756 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.301 -6.702 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.171 -6.008 0.098 1.00 0.00 H new ATOM 1769 N ILE A 118 10.741 -7.137 3.888 1.00 0.00 N ATOM 1770 CA ILE A 118 9.599 -7.531 4.695 1.00 0.00 C ATOM 1771 C ILE A 118 9.403 -6.548 5.841 1.00 0.00 C ATOM 1772 O ILE A 118 8.283 -6.326 6.305 1.00 0.00 O ATOM 1773 CB ILE A 118 9.778 -8.961 5.253 1.00 0.00 C ATOM 1774 CG1 ILE A 118 9.473 -9.996 4.167 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.891 -9.184 6.471 1.00 0.00 C ATOM 1776 CD1 ILE A 118 8.050 -9.940 3.649 1.00 0.00 C ATOM 0 H ILE A 118 11.504 -7.813 3.881 1.00 0.00 H new ATOM 0 HA ILE A 118 8.715 -7.521 4.057 1.00 0.00 H new ATOM 0 HB ILE A 118 10.815 -9.080 5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 118 10.159 -9.847 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.666 -10.993 4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.035 -10.198 6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.156 -8.469 7.250 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.847 -9.046 6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.911 -10.703 2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.356 -10.120 4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.857 -8.956 3.221 1.00 0.00 H new ATOM 1788 N ASP A 119 10.509 -5.961 6.287 1.00 0.00 N ATOM 1789 CA ASP A 119 10.482 -4.991 7.370 1.00 0.00 C ATOM 1790 C ASP A 119 9.435 -3.916 7.110 1.00 0.00 C ATOM 1791 O ASP A 119 8.663 -3.558 8.000 1.00 0.00 O ATOM 1792 CB ASP A 119 11.856 -4.343 7.528 1.00 0.00 C ATOM 1793 CG ASP A 119 12.650 -4.938 8.675 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.513 -4.441 9.813 1.00 0.00 O ATOM 1795 OD2 ASP A 119 13.409 -5.901 8.436 1.00 0.00 O ATOM 0 H ASP A 119 11.439 -6.143 5.911 1.00 0.00 H new ATOM 0 HA ASP A 119 10.221 -5.515 8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 119 12.418 -4.460 6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.733 -3.273 7.692 1.00 0.00 H new ATOM 1800 N ARG A 120 9.412 -3.407 5.882 1.00 0.00 N ATOM 1801 CA ARG A 120 8.463 -2.369 5.500 1.00 0.00 C ATOM 1802 C ARG A 120 7.029 -2.835 5.725 1.00 0.00 C ATOM 1803 O ARG A 120 6.180 -2.060 6.165 1.00 0.00 O ATOM 1804 CB ARG A 120 8.661 -1.975 4.032 1.00 0.00 C ATOM 1805 CG ARG A 120 9.934 -1.182 3.773 1.00 0.00 C ATOM 1806 CD ARG A 120 11.180 -2.033 3.971 1.00 0.00 C ATOM 1807 NE ARG A 120 12.405 -1.281 3.712 1.00 0.00 N ATOM 1808 CZ ARG A 120 13.563 -1.532 4.315 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.651 -2.506 5.211 1.00 0.00 N ATOM 1810 NH2 ARG A 120 14.634 -0.807 4.023 1.00 0.00 N ATOM 0 H ARG A 120 10.041 -3.698 5.134 1.00 0.00 H new ATOM 0 HA ARG A 120 8.647 -1.497 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.677 -2.878 3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.804 -1.385 3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.918 -0.792 2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.970 -0.323 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.199 -2.416 4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 120 11.138 -2.897 3.307 1.00 0.00 H new ATOM 0 HE ARG A 120 12.370 -0.522 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.829 -3.065 5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.541 -2.696 5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 120 14.570 -0.056 3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 120 15.522 -1.000 4.486 1.00 0.00 H new ATOM 1824 N TYR A 121 6.765 -4.101 5.417 1.00 0.00 N ATOM 1825 CA TYR A 121 5.432 -4.662 5.595 1.00 0.00 C ATOM 1826 C TYR A 121 4.984 -4.530 7.047 1.00 0.00 C ATOM 1827 O TYR A 121 3.885 -4.051 7.325 1.00 0.00 O ATOM 1828 CB TYR A 121 5.407 -6.133 5.170 1.00 0.00 C ATOM 1829 CG TYR A 121 4.025 -6.751 5.194 1.00 0.00 C ATOM 1830 CD1 TYR A 121 3.422 -7.108 6.394 1.00 0.00 C ATOM 1831 CD2 TYR A 121 3.326 -6.978 4.017 1.00 0.00 C ATOM 1832 CE1 TYR A 121 2.161 -7.674 6.419 1.00 0.00 C ATOM 1833 CE2 TYR A 121 2.065 -7.543 4.032 1.00 0.00 C ATOM 1834 CZ TYR A 121 1.487 -7.890 5.236 1.00 0.00 C ATOM 1835 OH TYR A 121 0.232 -8.454 5.256 1.00 0.00 O ATOM 0 H TYR A 121 7.454 -4.755 5.045 1.00 0.00 H new ATOM 0 HA TYR A 121 4.741 -4.103 4.964 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.816 -6.218 4.163 1.00 0.00 H new ATOM 0 HB3 TYR A 121 6.062 -6.703 5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.947 -6.940 7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.775 -6.708 3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.706 -7.945 7.360 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.535 -7.712 3.106 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.104 -8.537 4.339 1.00 0.00 H new ATOM 1845 N HIS A 122 5.839 -4.961 7.967 1.00 0.00 N ATOM 1846 CA HIS A 122 5.532 -4.883 9.390 1.00 0.00 C ATOM 1847 C HIS A 122 5.379 -3.432 9.828 1.00 0.00 C ATOM 1848 O HIS A 122 4.608 -3.126 10.738 1.00 0.00 O ATOM 1849 CB HIS A 122 6.628 -5.562 10.214 1.00 0.00 C ATOM 1850 CG HIS A 122 6.636 -7.053 10.087 1.00 0.00 C ATOM 1851 ND1 HIS A 122 6.155 -7.894 11.069 1.00 0.00 N ATOM 1852 CD2 HIS A 122 7.073 -7.856 9.088 1.00 0.00 C ATOM 1853 CE1 HIS A 122 6.297 -9.149 10.680 1.00 0.00 C ATOM 1854 NE2 HIS A 122 6.850 -9.153 9.481 1.00 0.00 N ATOM 0 H HIS A 122 6.750 -5.368 7.753 1.00 0.00 H new ATOM 0 HA HIS A 122 4.589 -5.402 9.561 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.598 -5.174 9.903 1.00 0.00 H new ATOM 0 HB3 HIS A 122 6.500 -5.296 11.263 1.00 0.00 H new ATOM 0 HD2 HIS A 122 7.515 -7.536 8.156 1.00 0.00 H new ATOM 0 HE1 HIS A 122 6.010 -10.023 11.246 1.00 0.00 H new ATOM 0 HE2 HIS A 122 7.075 -9.985 8.935 1.00 0.00 H new ATOM 1863 N PHE A 123 6.118 -2.542 9.175 1.00 0.00 N ATOM 1864 CA PHE A 123 6.058 -1.122 9.495 1.00 0.00 C ATOM 1865 C PHE A 123 4.686 -0.550 9.155 1.00 0.00 C ATOM 1866 O PHE A 123 4.009 0.011 10.016 1.00 0.00 O ATOM 1867 CB PHE A 123 7.148 -0.353 8.742 1.00 0.00 C ATOM 1868 CG PHE A 123 8.549 -0.693 9.174 1.00 0.00 C ATOM 1869 CD1 PHE A 123 8.822 -1.057 10.486 1.00 0.00 C ATOM 1870 CD2 PHE A 123 9.596 -0.644 8.268 1.00 0.00 C ATOM 1871 CE1 PHE A 123 10.110 -1.363 10.881 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.886 -0.951 8.658 1.00 0.00 C ATOM 1873 CZ PHE A 123 11.143 -1.311 9.967 1.00 0.00 C ATOM 0 H PHE A 123 6.764 -2.779 8.422 1.00 0.00 H new ATOM 0 HA PHE A 123 6.227 -1.010 10.566 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.049 -0.555 7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.986 0.716 8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.018 -1.101 11.206 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.402 -0.362 7.244 1.00 0.00 H new ATOM 0 HE1 PHE A 123 10.309 -1.643 11.905 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.692 -0.910 7.940 1.00 0.00 H new ATOM 0 HZ PHE A 123 12.150 -1.551 10.274 1.00 0.00 H new ATOM 1883 N LEU A 124 4.282 -0.695 7.896 1.00 0.00 N ATOM 1884 CA LEU A 124 2.987 -0.196 7.448 1.00 0.00 C ATOM 1885 C LEU A 124 1.858 -0.880 8.203 1.00 0.00 C ATOM 1886 O LEU A 124 0.873 -0.245 8.570 1.00 0.00 O ATOM 1887 CB LEU A 124 2.821 -0.414 5.944 1.00 0.00 C ATOM 1888 CG LEU A 124 1.423 -0.123 5.394 1.00 0.00 C ATOM 1889 CD1 LEU A 124 1.001 1.303 5.721 1.00 0.00 C ATOM 1890 CD2 LEU A 124 1.384 -0.360 3.894 1.00 0.00 C ATOM 0 H LEU A 124 4.832 -1.153 7.170 1.00 0.00 H new ATOM 0 HA LEU A 124 2.945 0.873 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.539 0.217 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 124 3.077 -1.448 5.712 1.00 0.00 H new ATOM 0 HG LEU A 124 0.718 -0.804 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.004 1.488 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.989 1.440 6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.707 2.003 5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.383 -0.149 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 124 2.102 0.297 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.639 -1.399 3.683 1.00 0.00 H new ATOM 1902 N ARG A 125 2.000 -2.188 8.397 1.00 0.00 N ATOM 1903 CA ARG A 125 1.004 -2.967 9.126 1.00 0.00 C ATOM 1904 C ARG A 125 0.528 -2.200 10.356 1.00 0.00 C ATOM 1905 O ARG A 125 -0.638 -2.287 10.741 1.00 0.00 O ATOM 1906 CB ARG A 125 1.582 -4.322 9.539 1.00 0.00 C ATOM 1907 CG ARG A 125 0.543 -5.295 10.075 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.437 -5.716 8.990 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.375 -6.733 9.460 1.00 0.00 N ATOM 1910 CZ ARG A 125 -2.016 -7.573 8.653 1.00 0.00 C ATOM 1911 NH1 ARG A 125 -1.825 -7.516 7.343 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -2.851 -8.473 9.157 1.00 0.00 N ATOM 0 H ARG A 125 2.795 -2.731 8.060 1.00 0.00 H new ATOM 0 HA ARG A 125 0.151 -3.139 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 125 2.078 -4.772 8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 125 2.345 -4.164 10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 125 1.042 -6.176 10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -0.001 -4.832 10.898 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.992 -4.844 8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.115 -6.102 8.133 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.548 -6.802 10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.184 -6.826 6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.319 -8.162 6.727 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.002 -8.521 10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.342 -9.117 8.537 1.00 0.00 H new ATOM 1926 N GLY A 126 1.445 -1.450 10.970 1.00 0.00 N ATOM 1927 CA GLY A 126 1.104 -0.657 12.138 1.00 0.00 C ATOM 1928 C GLY A 126 -0.097 0.236 11.899 1.00 0.00 C ATOM 1929 O GLY A 126 -0.967 0.357 12.761 1.00 0.00 O ATOM 0 H GLY A 126 2.419 -1.379 10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.898 -1.321 12.977 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.960 -0.043 12.420 1.00 0.00 H new ATOM 1933 N PHE A 127 -0.140 0.879 10.734 1.00 0.00 N ATOM 1934 CA PHE A 127 -1.261 1.744 10.389 1.00 0.00 C ATOM 1935 C PHE A 127 -2.556 0.944 10.440 1.00 0.00 C ATOM 1936 O PHE A 127 -3.585 1.427 10.915 1.00 0.00 O ATOM 1937 CB PHE A 127 -1.070 2.352 8.998 1.00 0.00 C ATOM 1938 CG PHE A 127 -2.028 3.470 8.698 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -1.705 4.779 9.022 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -3.248 3.213 8.095 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -2.583 5.811 8.748 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -4.130 4.242 7.820 1.00 0.00 C ATOM 1943 CZ PHE A 127 -3.797 5.542 8.148 1.00 0.00 C ATOM 0 H PHE A 127 0.584 0.817 10.019 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.310 2.559 11.111 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -0.049 2.725 8.910 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.190 1.570 8.248 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.758 4.995 9.493 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.513 2.198 7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -2.320 6.827 9.003 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -5.078 4.029 7.349 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.485 6.347 7.935 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.490 -0.288 9.942 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.631 -1.185 9.948 1.00 0.00 C ATOM 1955 C ALA A 128 -3.728 -1.891 11.298 1.00 0.00 C ATOM 1956 O ALA A 128 -4.303 -2.971 11.417 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.521 -2.198 8.819 1.00 0.00 C ATOM 0 H ALA A 128 -1.648 -0.686 9.527 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.539 -0.602 9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.385 -2.862 8.840 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.488 -1.675 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.611 -2.784 8.944 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.112 -1.276 12.299 1.00 0.00 N ATOM 1964 CA ALA A 129 -3.118 -1.803 13.662 1.00 0.00 C ATOM 1965 C ALA A 129 -3.735 -0.804 14.633 1.00 0.00 C ATOM 1966 O ALA A 129 -3.642 -0.962 15.851 1.00 0.00 O ATOM 1967 CB ALA A 129 -1.707 -2.154 14.095 1.00 0.00 C ATOM 0 H ALA A 129 -2.596 -0.403 12.193 1.00 0.00 H new ATOM 0 HA ALA A 129 -3.727 -2.707 13.674 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.725 -2.545 15.112 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -1.297 -2.908 13.423 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -1.083 -1.261 14.061 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.367 0.221 14.081 1.00 0.00 N ATOM 1974 CA GLY A 130 -5.000 1.246 14.897 1.00 0.00 C ATOM 1975 C GLY A 130 -6.000 2.057 14.097 1.00 0.00 C ATOM 1976 O GLY A 130 -6.445 3.122 14.527 1.00 0.00 O ATOM 0 H GLY A 130 -4.455 0.365 13.075 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.504 0.779 15.743 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.237 1.909 15.306 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.346 1.535 12.930 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.283 2.180 12.019 1.00 0.00 C ATOM 1982 C HIS A 131 -8.672 2.347 12.627 1.00 0.00 C ATOM 1983 O HIS A 131 -9.168 1.457 13.317 1.00 0.00 O ATOM 1984 CB HIS A 131 -7.392 1.355 10.735 1.00 0.00 C ATOM 1985 CG HIS A 131 -7.111 -0.107 10.929 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -7.164 -0.731 12.158 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -6.770 -1.068 10.041 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -6.868 -2.010 12.015 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -6.627 -2.240 10.739 1.00 0.00 N ATOM 0 H HIS A 131 -5.983 0.646 12.585 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.896 3.177 11.808 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -8.395 1.471 10.323 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -6.696 1.755 9.997 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -6.635 -0.937 8.978 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -6.830 -2.743 12.808 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -6.375 -3.143 10.337 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.318 3.503 12.373 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.671 3.771 12.858 1.00 0.00 C ATOM 2000 C PRO A 132 -11.686 2.984 12.042 1.00 0.00 C ATOM 2001 O PRO A 132 -12.841 2.818 12.436 1.00 0.00 O ATOM 2002 CB PRO A 132 -10.839 5.273 12.633 1.00 0.00 C ATOM 2003 CG PRO A 132 -9.944 5.580 11.483 1.00 0.00 C ATOM 2004 CD PRO A 132 -8.776 4.636 11.596 1.00 0.00 C ATOM 0 HA PRO A 132 -10.823 3.482 13.898 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -11.875 5.527 12.409 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -10.556 5.841 13.519 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.466 5.442 10.536 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -9.611 6.617 11.515 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.422 4.317 10.616 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -7.931 5.102 12.103 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.222 2.503 10.893 1.00 0.00 N ATOM 2013 CA GLU A 133 -12.038 1.703 9.992 1.00 0.00 C ATOM 2014 C GLU A 133 -11.517 0.279 9.974 1.00 0.00 C ATOM 2015 O GLU A 133 -11.806 -0.491 9.061 1.00 0.00 O ATOM 2016 CB GLU A 133 -12.028 2.280 8.580 1.00 0.00 C ATOM 2017 CG GLU A 133 -13.204 3.197 8.302 1.00 0.00 C ATOM 2018 CD GLU A 133 -14.523 2.451 8.247 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -14.705 1.635 7.319 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -15.374 2.686 9.130 1.00 0.00 O ATOM 0 H GLU A 133 -10.270 2.658 10.562 1.00 0.00 H new ATOM 0 HA GLU A 133 -13.067 1.715 10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -11.101 2.832 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -12.035 1.462 7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.255 3.962 9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.042 3.713 7.355 1.00 0.00 H new ATOM 2027 N ALA A 134 -10.725 -0.039 10.993 1.00 0.00 N ATOM 2028 CA ALA A 134 -10.145 -1.362 11.157 1.00 0.00 C ATOM 2029 C ALA A 134 -11.067 -2.441 10.625 1.00 0.00 C ATOM 2030 O ALA A 134 -10.640 -3.329 9.893 1.00 0.00 O ATOM 2031 CB ALA A 134 -9.854 -1.604 12.629 1.00 0.00 C ATOM 0 H ALA A 134 -10.468 0.618 11.730 1.00 0.00 H new ATOM 0 HA ALA A 134 -9.219 -1.406 10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -9.419 -2.595 12.756 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -9.153 -0.851 12.990 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -10.781 -1.539 13.199 1.00 0.00 H new ATOM 2037 N ALA A 135 -12.334 -2.353 11.001 1.00 0.00 N ATOM 2038 CA ALA A 135 -13.330 -3.320 10.576 1.00 0.00 C ATOM 2039 C ALA A 135 -13.223 -3.631 9.088 1.00 0.00 C ATOM 2040 O ALA A 135 -13.154 -4.793 8.699 1.00 0.00 O ATOM 2041 CB ALA A 135 -14.727 -2.817 10.911 1.00 0.00 C ATOM 0 H ALA A 135 -12.697 -1.615 11.604 1.00 0.00 H new ATOM 0 HA ALA A 135 -13.141 -4.247 11.118 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -15.465 -3.551 10.587 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -14.812 -2.668 11.987 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -14.906 -1.872 10.398 1.00 0.00 H new ATOM 2047 N ALA A 136 -13.197 -2.589 8.262 1.00 0.00 N ATOM 2048 CA ALA A 136 -13.122 -2.770 6.816 1.00 0.00 C ATOM 2049 C ALA A 136 -11.743 -3.230 6.351 1.00 0.00 C ATOM 2050 O ALA A 136 -11.629 -4.092 5.479 1.00 0.00 O ATOM 2051 CB ALA A 136 -13.503 -1.481 6.107 1.00 0.00 C ATOM 0 H ALA A 136 -13.227 -1.616 8.567 1.00 0.00 H new ATOM 0 HA ALA A 136 -13.829 -3.559 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -13.444 -1.628 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -14.521 -1.203 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.818 -0.687 6.403 1.00 0.00 H new ATOM 2057 N ILE A 137 -10.699 -2.657 6.934 1.00 0.00 N ATOM 2058 CA ILE A 137 -9.328 -2.982 6.548 1.00 0.00 C ATOM 2059 C ILE A 137 -8.906 -4.412 6.888 1.00 0.00 C ATOM 2060 O ILE A 137 -8.386 -5.121 6.027 1.00 0.00 O ATOM 2061 CB ILE A 137 -8.330 -2.004 7.192 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -8.541 -0.597 6.634 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.898 -2.468 6.957 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.807 0.472 7.408 1.00 0.00 C ATOM 0 H ILE A 137 -10.773 -1.963 7.678 1.00 0.00 H new ATOM 0 HA ILE A 137 -9.311 -2.890 5.462 1.00 0.00 H new ATOM 0 HB ILE A 137 -8.506 -1.982 8.268 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -8.212 -0.573 5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.607 -0.369 6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -6.207 -1.764 7.420 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -6.759 -3.455 7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.703 -2.517 5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -8.001 1.445 6.958 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -8.153 0.475 8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.736 0.268 7.384 1.00 0.00 H new ATOM 2076 N TYR A 138 -9.123 -4.845 8.128 1.00 0.00 N ATOM 2077 CA TYR A 138 -8.700 -6.182 8.540 1.00 0.00 C ATOM 2078 C TYR A 138 -9.447 -7.285 7.790 1.00 0.00 C ATOM 2079 O TYR A 138 -8.845 -8.283 7.395 1.00 0.00 O ATOM 2080 CB TYR A 138 -8.861 -6.359 10.058 1.00 0.00 C ATOM 2081 CG TYR A 138 -10.191 -6.941 10.489 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -11.278 -6.121 10.756 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -10.355 -8.314 10.631 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -12.491 -6.650 11.152 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -11.565 -8.851 11.026 1.00 0.00 C ATOM 2086 CZ TYR A 138 -12.631 -8.015 11.285 1.00 0.00 C ATOM 2087 OH TYR A 138 -13.837 -8.545 11.679 1.00 0.00 O ATOM 0 H TYR A 138 -9.583 -4.299 8.856 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.645 -6.275 8.283 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.062 -7.005 10.422 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -8.731 -5.390 10.539 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -11.174 -5.051 10.652 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.523 -8.972 10.429 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -13.326 -5.997 11.357 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.676 -9.920 11.131 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.767 -9.522 11.722 1.00 0.00 H new ATOM 2097 N ARG A 139 -10.752 -7.114 7.590 1.00 0.00 N ATOM 2098 CA ARG A 139 -11.539 -8.125 6.890 1.00 0.00 C ATOM 2099 C ARG A 139 -11.200 -8.143 5.405 1.00 0.00 C ATOM 2100 O ARG A 139 -11.360 -9.165 4.737 1.00 0.00 O ATOM 2101 CB ARG A 139 -13.039 -7.898 7.096 1.00 0.00 C ATOM 2102 CG ARG A 139 -13.553 -6.579 6.546 1.00 0.00 C ATOM 2103 CD ARG A 139 -14.995 -6.334 6.967 1.00 0.00 C ATOM 2104 NE ARG A 139 -15.418 -4.958 6.719 1.00 0.00 N ATOM 2105 CZ ARG A 139 -16.500 -4.410 7.263 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -17.263 -5.116 8.087 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -16.821 -3.153 6.984 1.00 0.00 N ATOM 0 H ARG A 139 -11.280 -6.297 7.898 1.00 0.00 H new ATOM 0 HA ARG A 139 -11.283 -9.097 7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -13.586 -8.713 6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -13.258 -7.944 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -12.924 -5.763 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -13.484 -6.584 5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -15.650 -7.016 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -15.105 -6.560 8.028 1.00 0.00 H new ATOM 0 HE ARG A 139 -14.851 -4.386 6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -17.020 -6.082 8.305 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -18.093 -4.692 8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -16.237 -2.606 6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -17.652 -2.734 7.402 1.00 0.00 H new ATOM 2121 N ALA A 140 -10.731 -7.010 4.891 1.00 0.00 N ATOM 2122 CA ALA A 140 -10.359 -6.917 3.486 1.00 0.00 C ATOM 2123 C ALA A 140 -9.005 -7.577 3.235 1.00 0.00 C ATOM 2124 O ALA A 140 -8.783 -8.177 2.184 1.00 0.00 O ATOM 2125 CB ALA A 140 -10.340 -5.467 3.030 1.00 0.00 C ATOM 0 H ALA A 140 -10.601 -6.150 5.423 1.00 0.00 H new ATOM 0 HA ALA A 140 -11.109 -7.451 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -10.060 -5.420 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -11.330 -5.031 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -9.616 -4.908 3.623 1.00 0.00 H new ATOM 2131 N ILE A 141 -8.098 -7.453 4.202 1.00 0.00 N ATOM 2132 CA ILE A 141 -6.771 -8.051 4.085 1.00 0.00 C ATOM 2133 C ILE A 141 -6.772 -9.502 4.555 1.00 0.00 C ATOM 2134 O ILE A 141 -5.858 -10.265 4.244 1.00 0.00 O ATOM 2135 CB ILE A 141 -5.717 -7.257 4.888 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -6.117 -7.159 6.363 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -5.532 -5.872 4.292 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -5.592 -8.294 7.215 1.00 0.00 C ATOM 0 H ILE A 141 -8.258 -6.945 5.072 1.00 0.00 H new ATOM 0 HA ILE A 141 -6.507 -8.019 3.028 1.00 0.00 H new ATOM 0 HB ILE A 141 -4.768 -7.790 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.752 -6.215 6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -7.204 -7.137 6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -4.786 -5.324 4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -5.197 -5.962 3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -6.480 -5.334 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -5.916 -8.155 8.246 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -5.978 -9.241 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -4.503 -8.305 7.176 1.00 0.00 H new ATOM 2150 N ASP A 142 -7.802 -9.877 5.309 1.00 0.00 N ATOM 2151 CA ASP A 142 -7.920 -11.238 5.822 1.00 0.00 C ATOM 2152 C ASP A 142 -8.369 -12.197 4.723 1.00 0.00 C ATOM 2153 O ASP A 142 -9.594 -12.339 4.527 1.00 0.00 O ATOM 2154 CB ASP A 142 -8.908 -11.280 6.989 1.00 0.00 C ATOM 2155 CG ASP A 142 -9.065 -12.674 7.564 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -8.282 -13.036 8.467 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -9.971 -13.405 7.111 1.00 0.00 O ATOM 2158 OXT ASP A 142 -7.490 -12.795 4.067 1.00 0.00 O ATOM 0 H ASP A 142 -8.566 -9.257 5.578 1.00 0.00 H new ATOM 0 HA ASP A 142 -6.938 -11.554 6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -8.569 -10.603 7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -9.879 -10.917 6.652 1.00 0.00 H new TER 2163 ASP A 142