USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 615 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 40 MET CE :methyl -108:sc= -3.54 (180deg=-9.63!) USER MOD Set 1.2: A 47 THR OG1 : rot -170:sc= -0.642 USER MOD Set 2.1: A 23 ASN : amide:sc= -3.71! C(o=-6.1!,f=-6.1!) USER MOD Set 2.2: A 24 GLN : amide:sc= -2.42! C(o=-6.1!,f=-6.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 166:sc= 0.726 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.289 USER MOD Single : A 10 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-1.9) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -38:sc= 0.582 USER MOD Single : A 19 LYS NZ :NH3+ -132:sc= -0.0458 (180deg=-0.825) USER MOD Single : A 27 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 155:sc= -0.627 (180deg=-2.25!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 68:sc= 0.722 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.332 K(o=-0.33,f=-11!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0427 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 36:sc= 0.568 USER MOD Single : A 59 MET CE :methyl 131:sc= -1.62! (180deg=-1.82!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -57:sc= 0.425 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.625 -0.806 -15.543 1.00 0.00 N ATOM 2 CA GLY A 1 -17.234 -1.190 -15.707 1.00 0.00 C ATOM 3 C GLY A 1 -16.313 -0.277 -14.896 1.00 0.00 C ATOM 4 O GLY A 1 -15.457 0.405 -15.457 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.229 -1.441 -16.103 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.888 -0.875 -14.539 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.756 0.173 -15.869 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.099 -2.224 -15.389 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.962 -1.143 -16.761 1.00 0.00 H new ATOM 8 N SER A 2 -16.520 -0.294 -13.587 1.00 0.00 N ATOM 9 CA SER A 2 -15.719 0.525 -12.692 1.00 0.00 C ATOM 10 C SER A 2 -14.931 -0.368 -11.731 1.00 0.00 C ATOM 11 O SER A 2 -15.390 -0.653 -10.626 1.00 0.00 O ATOM 12 CB SER A 2 -16.596 1.504 -11.909 1.00 0.00 C ATOM 13 OG SER A 2 -16.614 2.798 -12.504 1.00 0.00 O ATOM 0 H SER A 2 -17.230 -0.862 -13.125 1.00 0.00 H new ATOM 0 HA SER A 2 -15.020 1.107 -13.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.613 1.116 -11.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.229 1.581 -10.886 1.00 0.00 H new ATOM 0 HG SER A 2 -17.345 3.325 -12.118 1.00 0.00 H new ATOM 19 N SER A 3 -13.759 -0.785 -12.188 1.00 0.00 N ATOM 20 CA SER A 3 -12.904 -1.639 -11.383 1.00 0.00 C ATOM 21 C SER A 3 -11.950 -0.785 -10.545 1.00 0.00 C ATOM 22 O SER A 3 -11.553 0.301 -10.965 1.00 0.00 O ATOM 23 CB SER A 3 -12.113 -2.611 -12.261 1.00 0.00 C ATOM 24 OG SER A 3 -11.096 -3.288 -11.526 1.00 0.00 O ATOM 0 H SER A 3 -13.382 -0.547 -13.105 1.00 0.00 H new ATOM 0 HA SER A 3 -13.537 -2.225 -10.717 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.794 -3.343 -12.696 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.660 -2.065 -13.089 1.00 0.00 H new ATOM 0 HG SER A 3 -10.615 -3.900 -12.121 1.00 0.00 H new ATOM 30 N GLY A 4 -11.609 -1.308 -9.376 1.00 0.00 N ATOM 31 CA GLY A 4 -10.710 -0.606 -8.476 1.00 0.00 C ATOM 32 C GLY A 4 -9.542 -1.502 -8.060 1.00 0.00 C ATOM 33 O GLY A 4 -9.498 -1.985 -6.929 1.00 0.00 O ATOM 0 H GLY A 4 -11.939 -2.210 -9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.329 0.291 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.257 -0.280 -7.591 1.00 0.00 H new ATOM 37 N SER A 5 -8.625 -1.698 -8.996 1.00 0.00 N ATOM 38 CA SER A 5 -7.460 -2.528 -8.741 1.00 0.00 C ATOM 39 C SER A 5 -6.570 -1.869 -7.684 1.00 0.00 C ATOM 40 O SER A 5 -6.418 -0.649 -7.669 1.00 0.00 O ATOM 41 CB SER A 5 -6.666 -2.773 -10.025 1.00 0.00 C ATOM 42 OG SER A 5 -6.404 -4.158 -10.234 1.00 0.00 O ATOM 0 H SER A 5 -8.665 -1.296 -9.933 1.00 0.00 H new ATOM 0 HA SER A 5 -7.803 -3.493 -8.369 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.221 -2.376 -10.876 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.723 -2.229 -9.978 1.00 0.00 H new ATOM 0 HG SER A 5 -5.897 -4.273 -11.065 1.00 0.00 H new ATOM 48 N SER A 6 -6.005 -2.707 -6.827 1.00 0.00 N ATOM 49 CA SER A 6 -5.134 -2.221 -5.770 1.00 0.00 C ATOM 50 C SER A 6 -4.183 -1.158 -6.323 1.00 0.00 C ATOM 51 O SER A 6 -4.215 -0.007 -5.891 1.00 0.00 O ATOM 52 CB SER A 6 -4.340 -3.368 -5.140 1.00 0.00 C ATOM 53 OG SER A 6 -3.475 -3.998 -6.081 1.00 0.00 O ATOM 0 H SER A 6 -6.133 -3.719 -6.843 1.00 0.00 H new ATOM 0 HA SER A 6 -5.755 -1.775 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.752 -2.986 -4.306 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.031 -4.106 -4.732 1.00 0.00 H new ATOM 0 HG SER A 6 -2.985 -4.723 -5.640 1.00 0.00 H new ATOM 59 N GLY A 7 -3.358 -1.582 -7.269 1.00 0.00 N ATOM 60 CA GLY A 7 -2.400 -0.680 -7.885 1.00 0.00 C ATOM 61 C GLY A 7 -1.251 -0.362 -6.926 1.00 0.00 C ATOM 62 O GLY A 7 -0.833 0.789 -6.812 1.00 0.00 O ATOM 0 H GLY A 7 -3.333 -2.538 -7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.004 -1.130 -8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.900 0.243 -8.177 1.00 0.00 H new ATOM 66 N LEU A 8 -0.774 -1.403 -6.259 1.00 0.00 N ATOM 67 CA LEU A 8 0.318 -1.249 -5.313 1.00 0.00 C ATOM 68 C LEU A 8 1.448 -2.212 -5.684 1.00 0.00 C ATOM 69 O LEU A 8 2.617 -1.828 -5.694 1.00 0.00 O ATOM 70 CB LEU A 8 -0.187 -1.418 -3.879 1.00 0.00 C ATOM 71 CG LEU A 8 -0.854 -0.191 -3.254 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.160 0.150 -3.974 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.062 -0.386 -1.751 1.00 0.00 C ATOM 0 H LEU A 8 -1.124 -2.356 -6.355 1.00 0.00 H new ATOM 0 HA LEU A 8 0.727 -0.240 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.899 -2.243 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.655 -1.709 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.186 0.661 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.613 1.026 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.953 0.362 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.846 -0.694 -3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.538 0.501 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.699 -1.254 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.098 -0.544 -1.268 1.00 0.00 H new ATOM 85 N ASP A 9 1.060 -3.443 -5.980 1.00 0.00 N ATOM 86 CA ASP A 9 2.026 -4.464 -6.351 1.00 0.00 C ATOM 87 C ASP A 9 2.984 -3.896 -7.400 1.00 0.00 C ATOM 88 O ASP A 9 4.128 -4.337 -7.505 1.00 0.00 O ATOM 89 CB ASP A 9 1.332 -5.685 -6.956 1.00 0.00 C ATOM 90 CG ASP A 9 0.392 -5.382 -8.125 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.734 -4.919 -7.843 1.00 0.00 O ATOM 92 OD2 ASP A 9 0.822 -5.620 -9.275 1.00 0.00 O ATOM 0 H ASP A 9 0.090 -3.757 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 9 2.562 -4.764 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.094 -6.387 -7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.763 -6.186 -6.173 1.00 0.00 H new ATOM 97 N HIS A 10 2.482 -2.927 -8.151 1.00 0.00 N ATOM 98 CA HIS A 10 3.279 -2.294 -9.188 1.00 0.00 C ATOM 99 C HIS A 10 4.056 -1.118 -8.593 1.00 0.00 C ATOM 100 O HIS A 10 5.178 -0.836 -9.011 1.00 0.00 O ATOM 101 CB HIS A 10 2.402 -1.886 -10.373 1.00 0.00 C ATOM 102 CG HIS A 10 1.785 -0.514 -10.237 1.00 0.00 C ATOM 103 ND1 HIS A 10 0.839 -0.210 -9.273 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.988 0.630 -10.951 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.495 1.062 -9.411 1.00 0.00 C ATOM 106 NE2 HIS A 10 1.208 1.581 -10.452 1.00 0.00 N ATOM 0 H HIS A 10 1.533 -2.565 -8.062 1.00 0.00 H new ATOM 0 HA HIS A 10 4.007 -3.005 -9.577 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.002 -1.915 -11.283 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.606 -2.621 -10.493 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.668 0.743 -11.782 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.224 1.595 -8.806 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.151 2.541 -10.791 1.00 0.00 H new ATOM 114 N ILE A 11 3.429 -0.465 -7.626 1.00 0.00 N ATOM 115 CA ILE A 11 4.048 0.674 -6.969 1.00 0.00 C ATOM 116 C ILE A 11 5.451 0.286 -6.500 1.00 0.00 C ATOM 117 O ILE A 11 5.712 -0.881 -6.210 1.00 0.00 O ATOM 118 CB ILE A 11 3.148 1.200 -5.848 1.00 0.00 C ATOM 119 CG1 ILE A 11 2.111 2.184 -6.394 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.980 1.812 -4.720 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.143 2.625 -5.295 1.00 0.00 C ATOM 0 H ILE A 11 2.499 -0.703 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 11 4.163 1.502 -7.669 1.00 0.00 H new ATOM 0 HB ILE A 11 2.601 0.358 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.616 3.056 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.555 1.718 -7.208 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.317 2.178 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.646 1.055 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.571 2.640 -5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.416 3.324 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.623 1.754 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.699 3.112 -4.494 1.00 0.00 H new ATOM 133 N THR A 12 6.318 1.286 -6.440 1.00 0.00 N ATOM 134 CA THR A 12 7.689 1.064 -6.011 1.00 0.00 C ATOM 135 C THR A 12 7.972 1.827 -4.715 1.00 0.00 C ATOM 136 O THR A 12 7.571 2.980 -4.570 1.00 0.00 O ATOM 137 CB THR A 12 8.615 1.458 -7.163 1.00 0.00 C ATOM 138 OG1 THR A 12 7.860 1.155 -8.334 1.00 0.00 O ATOM 139 CG2 THR A 12 9.842 0.550 -7.265 1.00 0.00 C ATOM 0 H THR A 12 6.098 2.252 -6.681 1.00 0.00 H new ATOM 0 HA THR A 12 7.866 0.014 -5.778 1.00 0.00 H new ATOM 0 HB THR A 12 8.938 2.491 -7.032 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.385 1.382 -9.130 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.466 0.873 -8.099 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.415 0.607 -6.340 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.521 -0.479 -7.430 1.00 0.00 H new ATOM 147 N VAL A 13 8.662 1.152 -3.807 1.00 0.00 N ATOM 148 CA VAL A 13 9.004 1.751 -2.529 1.00 0.00 C ATOM 149 C VAL A 13 10.507 2.033 -2.489 1.00 0.00 C ATOM 150 O VAL A 13 11.313 1.171 -2.834 1.00 0.00 O ATOM 151 CB VAL A 13 8.534 0.850 -1.386 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.858 1.474 -0.027 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.039 0.545 -1.507 1.00 0.00 C ATOM 0 H VAL A 13 8.993 0.195 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 13 8.491 2.705 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 13 9.075 -0.093 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.513 0.813 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.935 1.616 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.357 2.438 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.731 -0.097 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.474 1.476 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.846 0.038 -2.453 1.00 0.00 H new ATOM 163 N VAL A 14 10.839 3.244 -2.064 1.00 0.00 N ATOM 164 CA VAL A 14 12.231 3.650 -1.974 1.00 0.00 C ATOM 165 C VAL A 14 12.887 2.946 -0.785 1.00 0.00 C ATOM 166 O VAL A 14 12.311 2.886 0.300 1.00 0.00 O ATOM 167 CB VAL A 14 12.327 5.175 -1.894 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.691 5.611 -1.355 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.045 5.815 -3.255 1.00 0.00 C ATOM 0 H VAL A 14 10.168 3.957 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 14 12.775 3.350 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 14 11.565 5.522 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.733 6.699 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.836 5.199 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.477 5.246 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.120 6.899 -3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.773 5.457 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.041 5.545 -3.583 1.00 0.00 H new ATOM 179 N THR A 15 14.084 2.432 -1.029 1.00 0.00 N ATOM 180 CA THR A 15 14.824 1.735 0.008 1.00 0.00 C ATOM 181 C THR A 15 16.278 2.212 0.038 1.00 0.00 C ATOM 182 O THR A 15 16.711 2.950 -0.846 1.00 0.00 O ATOM 183 CB THR A 15 14.684 0.232 -0.240 1.00 0.00 C ATOM 184 OG1 THR A 15 15.271 0.035 -1.523 1.00 0.00 O ATOM 185 CG2 THR A 15 13.227 -0.198 -0.426 1.00 0.00 C ATOM 0 H THR A 15 14.559 2.485 -1.930 1.00 0.00 H new ATOM 0 HA THR A 15 14.421 1.955 0.997 1.00 0.00 H new ATOM 0 HB THR A 15 15.120 -0.315 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.047 0.791 -2.105 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.184 -1.273 -0.599 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.658 0.048 0.470 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.800 0.324 -1.282 1.00 0.00 H new ATOM 193 N ALA A 16 16.990 1.772 1.065 1.00 0.00 N ATOM 194 CA ALA A 16 18.386 2.146 1.222 1.00 0.00 C ATOM 195 C ALA A 16 19.248 1.277 0.304 1.00 0.00 C ATOM 196 O ALA A 16 20.009 0.433 0.777 1.00 0.00 O ATOM 197 CB ALA A 16 18.787 2.017 2.693 1.00 0.00 C ATOM 0 H ALA A 16 16.627 1.160 1.796 1.00 0.00 H new ATOM 0 HA ALA A 16 18.540 3.185 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.834 2.297 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.165 2.675 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.649 0.986 3.019 1.00 0.00 H new ATOM 203 N ASP A 17 19.101 1.512 -0.991 1.00 0.00 N ATOM 204 CA ASP A 17 19.857 0.761 -1.979 1.00 0.00 C ATOM 205 C ASP A 17 19.300 1.056 -3.373 1.00 0.00 C ATOM 206 O ASP A 17 20.046 1.081 -4.351 1.00 0.00 O ATOM 207 CB ASP A 17 19.742 -0.744 -1.733 1.00 0.00 C ATOM 208 CG ASP A 17 18.318 -1.255 -1.504 1.00 0.00 C ATOM 209 OD1 ASP A 17 17.712 -0.817 -0.502 1.00 0.00 O ATOM 210 OD2 ASP A 17 17.867 -2.072 -2.336 1.00 0.00 O ATOM 0 H ASP A 17 18.469 2.212 -1.380 1.00 0.00 H new ATOM 0 HA ASP A 17 20.902 1.060 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 17 20.168 -1.270 -2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 17 20.349 -1.002 -0.865 1.00 0.00 H new ATOM 215 N GLY A 18 17.993 1.272 -3.420 1.00 0.00 N ATOM 216 CA GLY A 18 17.328 1.564 -4.678 1.00 0.00 C ATOM 217 C GLY A 18 15.808 1.579 -4.504 1.00 0.00 C ATOM 218 O GLY A 18 15.305 1.952 -3.445 1.00 0.00 O ATOM 0 H GLY A 18 17.377 1.250 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 18 17.664 2.530 -5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.605 0.817 -5.422 1.00 0.00 H new ATOM 222 N LYS A 19 15.119 1.169 -5.559 1.00 0.00 N ATOM 223 CA LYS A 19 13.667 1.131 -5.536 1.00 0.00 C ATOM 224 C LYS A 19 13.196 -0.310 -5.739 1.00 0.00 C ATOM 225 O LYS A 19 13.680 -1.006 -6.630 1.00 0.00 O ATOM 226 CB LYS A 19 13.089 2.116 -6.555 1.00 0.00 C ATOM 227 CG LYS A 19 12.610 3.397 -5.868 1.00 0.00 C ATOM 228 CD LYS A 19 11.104 3.345 -5.600 1.00 0.00 C ATOM 229 CE LYS A 19 10.417 4.622 -6.088 1.00 0.00 C ATOM 230 NZ LYS A 19 10.371 4.654 -7.567 1.00 0.00 N ATOM 0 H LYS A 19 15.540 0.860 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 19 13.293 1.456 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.846 2.360 -7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.258 1.651 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.146 3.532 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.842 4.258 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.671 2.480 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.925 3.216 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.405 4.674 -5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.953 5.495 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.697 5.582 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.989 3.910 -7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.395 4.492 -7.888 1.00 0.00 H new ATOM 244 N VAL A 20 12.257 -0.716 -4.897 1.00 0.00 N ATOM 245 CA VAL A 20 11.715 -2.062 -4.972 1.00 0.00 C ATOM 246 C VAL A 20 10.189 -1.989 -5.063 1.00 0.00 C ATOM 247 O VAL A 20 9.596 -0.952 -4.768 1.00 0.00 O ATOM 248 CB VAL A 20 12.204 -2.891 -3.782 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.731 -2.987 -3.772 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.682 -2.318 -2.464 1.00 0.00 C ATOM 0 H VAL A 20 11.858 -0.136 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 20 12.070 -2.567 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 20 11.806 -3.900 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.053 -3.581 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.072 -3.462 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.158 -1.987 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.044 -2.925 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.037 -1.294 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.592 -2.325 -2.470 1.00 0.00 H new ATOM 260 N ALA A 21 9.598 -3.102 -5.471 1.00 0.00 N ATOM 261 CA ALA A 21 8.153 -3.177 -5.604 1.00 0.00 C ATOM 262 C ALA A 21 7.526 -3.344 -4.219 1.00 0.00 C ATOM 263 O ALA A 21 8.163 -3.864 -3.304 1.00 0.00 O ATOM 264 CB ALA A 21 7.786 -4.320 -6.553 1.00 0.00 C ATOM 0 H ALA A 21 10.094 -3.960 -5.714 1.00 0.00 H new ATOM 0 HA ALA A 21 7.759 -2.257 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.702 -4.376 -6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.231 -4.138 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.163 -5.261 -6.152 1.00 0.00 H new ATOM 270 N LEU A 22 6.285 -2.895 -4.108 1.00 0.00 N ATOM 271 CA LEU A 22 5.564 -2.988 -2.850 1.00 0.00 C ATOM 272 C LEU A 22 5.338 -4.462 -2.505 1.00 0.00 C ATOM 273 O LEU A 22 4.945 -4.788 -1.386 1.00 0.00 O ATOM 274 CB LEU A 22 4.276 -2.165 -2.908 1.00 0.00 C ATOM 275 CG LEU A 22 4.052 -1.188 -1.752 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.616 -0.659 -1.752 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.428 -1.826 -0.413 1.00 0.00 C ATOM 0 H LEU A 22 5.760 -2.465 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 22 6.153 -2.557 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.270 -1.601 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.431 -2.852 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 22 4.711 -0.332 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.483 0.033 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.419 -0.141 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.921 -1.492 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.259 -1.110 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.814 -2.711 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.480 -2.112 -0.429 1.00 0.00 H new ATOM 289 N ASN A 23 5.595 -5.313 -3.488 1.00 0.00 N ATOM 290 CA ASN A 23 5.425 -6.744 -3.302 1.00 0.00 C ATOM 291 C ASN A 23 6.787 -7.385 -3.031 1.00 0.00 C ATOM 292 O ASN A 23 6.981 -8.572 -3.290 1.00 0.00 O ATOM 293 CB ASN A 23 4.837 -7.395 -4.556 1.00 0.00 C ATOM 294 CG ASN A 23 5.845 -7.378 -5.707 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.879 -8.024 -5.670 1.00 0.00 O ATOM 296 ND2 ASN A 23 5.486 -6.605 -6.728 1.00 0.00 N ATOM 0 H ASN A 23 5.920 -5.039 -4.415 1.00 0.00 H new ATOM 0 HA ASN A 23 4.746 -6.897 -2.463 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.549 -8.423 -4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.931 -6.867 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.091 -6.526 -7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.606 -6.091 -6.694 1.00 0.00 H new ATOM 303 N GLN A 24 7.696 -6.571 -2.514 1.00 0.00 N ATOM 304 CA GLN A 24 9.035 -7.044 -2.205 1.00 0.00 C ATOM 305 C GLN A 24 9.345 -6.827 -0.723 1.00 0.00 C ATOM 306 O GLN A 24 9.715 -7.765 -0.019 1.00 0.00 O ATOM 307 CB GLN A 24 10.077 -6.357 -3.090 1.00 0.00 C ATOM 308 CG GLN A 24 9.671 -6.418 -4.564 1.00 0.00 C ATOM 309 CD GLN A 24 9.717 -7.856 -5.086 1.00 0.00 C ATOM 310 OE1 GLN A 24 10.084 -8.786 -4.387 1.00 0.00 O ATOM 311 NE2 GLN A 24 9.326 -7.985 -6.351 1.00 0.00 N ATOM 0 H GLN A 24 7.532 -5.587 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 24 9.079 -8.113 -2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.191 -5.317 -2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.046 -6.837 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.665 -6.015 -4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.339 -5.791 -5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.031 -7.164 -6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.321 -8.905 -6.792 1.00 0.00 H new ATOM 320 N ILE A 25 9.184 -5.584 -0.293 1.00 0.00 N ATOM 321 CA ILE A 25 9.442 -5.232 1.093 1.00 0.00 C ATOM 322 C ILE A 25 8.312 -5.772 1.971 1.00 0.00 C ATOM 323 O ILE A 25 8.525 -6.082 3.142 1.00 0.00 O ATOM 324 CB ILE A 25 9.661 -3.724 1.230 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.351 -2.959 1.026 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.761 -3.240 0.283 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.565 -1.453 1.188 1.00 0.00 C ATOM 0 H ILE A 25 8.878 -4.808 -0.880 1.00 0.00 H new ATOM 0 HA ILE A 25 10.365 -5.698 1.439 1.00 0.00 H new ATOM 0 HB ILE A 25 9.999 -3.519 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.954 -3.169 0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.608 -3.304 1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.896 -2.165 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.695 -3.751 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.477 -3.459 -0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.619 -0.933 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.939 -1.244 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.290 -1.107 0.451 1.00 0.00 H new ATOM 339 N GLY A 26 7.134 -5.869 1.372 1.00 0.00 N ATOM 340 CA GLY A 26 5.970 -6.366 2.085 1.00 0.00 C ATOM 341 C GLY A 26 5.158 -7.322 1.209 1.00 0.00 C ATOM 342 O GLY A 26 5.231 -7.260 -0.017 1.00 0.00 O ATOM 0 H GLY A 26 6.961 -5.612 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.287 -6.879 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.344 -5.529 2.394 1.00 0.00 H new ATOM 346 N GLN A 27 4.402 -8.185 1.873 1.00 0.00 N ATOM 347 CA GLN A 27 3.577 -9.153 1.171 1.00 0.00 C ATOM 348 C GLN A 27 2.144 -8.633 1.041 1.00 0.00 C ATOM 349 O GLN A 27 1.424 -8.533 2.033 1.00 0.00 O ATOM 350 CB GLN A 27 3.606 -10.511 1.874 1.00 0.00 C ATOM 351 CG GLN A 27 4.635 -11.441 1.228 1.00 0.00 C ATOM 352 CD GLN A 27 3.961 -12.687 0.649 1.00 0.00 C ATOM 353 OE1 GLN A 27 3.488 -13.556 1.362 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.945 -12.724 -0.680 1.00 0.00 N ATOM 0 H GLN A 27 4.344 -8.234 2.890 1.00 0.00 H new ATOM 0 HA GLN A 27 3.985 -9.291 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.846 -10.374 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.618 -10.969 1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.165 -10.910 0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.379 -11.736 1.968 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.360 -11.962 -1.216 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.518 -13.514 -1.163 1.00 0.00 H new ATOM 363 N ILE A 28 1.773 -8.316 -0.191 1.00 0.00 N ATOM 364 CA ILE A 28 0.439 -7.809 -0.464 1.00 0.00 C ATOM 365 C ILE A 28 -0.549 -8.977 -0.498 1.00 0.00 C ATOM 366 O ILE A 28 -0.350 -9.942 -1.235 1.00 0.00 O ATOM 367 CB ILE A 28 0.437 -6.965 -1.740 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.267 -5.693 -1.557 1.00 0.00 C ATOM 369 CG2 ILE A 28 -0.992 -6.656 -2.191 1.00 0.00 C ATOM 370 CD1 ILE A 28 2.060 -5.369 -2.825 1.00 0.00 C ATOM 0 H ILE A 28 2.373 -8.401 -1.011 1.00 0.00 H new ATOM 0 HA ILE A 28 0.115 -7.140 0.334 1.00 0.00 H new ATOM 0 HB ILE A 28 0.907 -7.545 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.611 -4.858 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.951 -5.818 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.965 -6.055 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.521 -7.588 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.510 -6.104 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.641 -4.460 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.733 -6.195 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.371 -5.220 -3.657 1.00 0.00 H new ATOM 382 N SER A 29 -1.592 -8.851 0.309 1.00 0.00 N ATOM 383 CA SER A 29 -2.612 -9.885 0.380 1.00 0.00 C ATOM 384 C SER A 29 -3.985 -9.250 0.605 1.00 0.00 C ATOM 385 O SER A 29 -4.295 -8.806 1.710 1.00 0.00 O ATOM 386 CB SER A 29 -2.302 -10.888 1.493 1.00 0.00 C ATOM 387 OG SER A 29 -3.224 -11.974 1.505 1.00 0.00 O ATOM 0 H SER A 29 -1.753 -8.050 0.919 1.00 0.00 H new ATOM 0 HA SER A 29 -2.619 -10.425 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.290 -11.273 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.328 -10.380 2.457 1.00 0.00 H new ATOM 0 HG SER A 29 -2.991 -12.593 2.228 1.00 0.00 H new ATOM 393 N MET A 30 -4.773 -9.227 -0.460 1.00 0.00 N ATOM 394 CA MET A 30 -6.106 -8.654 -0.393 1.00 0.00 C ATOM 395 C MET A 30 -7.073 -9.598 0.326 1.00 0.00 C ATOM 396 O MET A 30 -7.776 -10.377 -0.314 1.00 0.00 O ATOM 397 CB MET A 30 -6.617 -8.382 -1.809 1.00 0.00 C ATOM 398 CG MET A 30 -6.908 -6.893 -2.010 1.00 0.00 C ATOM 399 SD MET A 30 -8.530 -6.678 -2.722 1.00 0.00 S ATOM 400 CE MET A 30 -8.976 -5.104 -2.008 1.00 0.00 C ATOM 0 H MET A 30 -4.513 -9.596 -1.375 1.00 0.00 H new ATOM 0 HA MET A 30 -6.052 -7.721 0.169 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.876 -8.713 -2.537 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.523 -8.961 -1.990 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.849 -6.371 -1.055 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.154 -6.452 -2.662 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.709 -4.610 -2.646 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.404 -5.262 -1.018 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.088 -4.478 -1.924 1.00 0.00 H new ATOM 410 N LYS A 31 -7.076 -9.496 1.647 1.00 0.00 N ATOM 411 CA LYS A 31 -7.944 -10.330 2.460 1.00 0.00 C ATOM 412 C LYS A 31 -9.293 -9.631 2.642 1.00 0.00 C ATOM 413 O LYS A 31 -10.323 -10.288 2.783 1.00 0.00 O ATOM 414 CB LYS A 31 -7.258 -10.694 3.778 1.00 0.00 C ATOM 415 CG LYS A 31 -8.216 -11.442 4.707 1.00 0.00 C ATOM 416 CD LYS A 31 -8.060 -12.956 4.551 1.00 0.00 C ATOM 417 CE LYS A 31 -6.687 -13.420 5.043 1.00 0.00 C ATOM 418 NZ LYS A 31 -6.828 -14.267 6.249 1.00 0.00 N ATOM 0 H LYS A 31 -6.491 -8.848 2.174 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.140 -11.277 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.383 -11.312 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.903 -9.788 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.022 -11.157 5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.243 -11.154 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.843 -13.466 5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.188 -13.232 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.182 -13.979 4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.064 -12.555 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.887 -14.573 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.291 -13.722 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.405 -15.102 6.021 1.00 0.00 H new ATOM 432 N SER A 32 -9.243 -8.307 2.632 1.00 0.00 N ATOM 433 CA SER A 32 -10.447 -7.511 2.794 1.00 0.00 C ATOM 434 C SER A 32 -11.051 -7.191 1.426 1.00 0.00 C ATOM 435 O SER A 32 -10.474 -7.530 0.394 1.00 0.00 O ATOM 436 CB SER A 32 -10.155 -6.219 3.560 1.00 0.00 C ATOM 437 OG SER A 32 -8.781 -6.111 3.920 1.00 0.00 O ATOM 0 H SER A 32 -8.387 -7.766 2.514 1.00 0.00 H new ATOM 0 HA SER A 32 -11.164 -8.091 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.438 -5.363 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.769 -6.184 4.460 1.00 0.00 H new ATOM 0 HG SER A 32 -8.240 -5.986 3.112 1.00 0.00 H new ATOM 443 N PRO A 33 -12.236 -6.525 1.462 1.00 0.00 N ATOM 444 CA PRO A 33 -12.925 -6.156 0.237 1.00 0.00 C ATOM 445 C PRO A 33 -12.239 -4.968 -0.442 1.00 0.00 C ATOM 446 O PRO A 33 -11.890 -5.038 -1.620 1.00 0.00 O ATOM 447 CB PRO A 33 -14.352 -5.852 0.664 1.00 0.00 C ATOM 448 CG PRO A 33 -14.296 -5.611 2.163 1.00 0.00 C ATOM 449 CD PRO A 33 -12.949 -6.107 2.665 1.00 0.00 C ATOM 0 HA PRO A 33 -12.907 -6.949 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.738 -4.976 0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.016 -6.683 0.427 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.419 -4.551 2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.108 -6.137 2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.409 -5.321 3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.067 -6.936 3.363 1.00 0.00 H new ATOM 457 N GLN A 34 -12.064 -3.906 0.331 1.00 0.00 N ATOM 458 CA GLN A 34 -11.426 -2.705 -0.181 1.00 0.00 C ATOM 459 C GLN A 34 -10.341 -2.227 0.787 1.00 0.00 C ATOM 460 O GLN A 34 -10.256 -1.039 1.091 1.00 0.00 O ATOM 461 CB GLN A 34 -12.456 -1.604 -0.438 1.00 0.00 C ATOM 462 CG GLN A 34 -13.167 -1.820 -1.775 1.00 0.00 C ATOM 463 CD GLN A 34 -14.526 -1.115 -1.793 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.575 -1.735 -1.855 1.00 0.00 O ATOM 465 NE2 GLN A 34 -14.448 0.211 -1.737 1.00 0.00 N ATOM 0 H GLN A 34 -12.353 -3.852 1.308 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.955 -2.945 -1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.188 -1.590 0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.963 -0.632 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.546 -1.441 -2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.304 -2.887 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.537 0.667 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.299 0.773 -1.745 1.00 0.00 H new ATOM 474 N VAL A 35 -9.540 -3.178 1.244 1.00 0.00 N ATOM 475 CA VAL A 35 -8.465 -2.869 2.171 1.00 0.00 C ATOM 476 C VAL A 35 -7.302 -3.836 1.937 1.00 0.00 C ATOM 477 O VAL A 35 -7.376 -5.004 2.314 1.00 0.00 O ATOM 478 CB VAL A 35 -8.988 -2.900 3.608 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.859 -3.200 4.596 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.694 -1.590 3.963 1.00 0.00 C ATOM 0 H VAL A 35 -9.614 -4.163 0.990 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.089 -1.861 1.998 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.719 -3.705 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.258 -3.216 5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.420 -4.170 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.094 -2.428 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.056 -1.639 4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.993 -0.761 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.536 -1.436 3.288 1.00 0.00 H new ATOM 490 N ILE A 36 -6.255 -3.312 1.316 1.00 0.00 N ATOM 491 CA ILE A 36 -5.078 -4.114 1.027 1.00 0.00 C ATOM 492 C ILE A 36 -4.225 -4.233 2.291 1.00 0.00 C ATOM 493 O ILE A 36 -4.103 -3.276 3.054 1.00 0.00 O ATOM 494 CB ILE A 36 -4.322 -3.543 -0.174 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.071 -3.826 -1.478 1.00 0.00 C ATOM 496 CG2 ILE A 36 -2.884 -4.063 -0.214 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.274 -2.541 -2.283 1.00 0.00 C ATOM 0 H ILE A 36 -6.197 -2.342 1.005 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.367 -5.125 0.740 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.269 -2.460 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.512 -4.548 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.038 -4.277 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.369 -3.642 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.365 -3.768 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.892 -5.150 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.809 -2.770 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.854 -1.830 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.304 -2.106 -2.524 1.00 0.00 H new ATOM 509 N LEU A 37 -3.656 -5.416 2.474 1.00 0.00 N ATOM 510 CA LEU A 37 -2.817 -5.672 3.632 1.00 0.00 C ATOM 511 C LEU A 37 -1.426 -6.103 3.164 1.00 0.00 C ATOM 512 O LEU A 37 -1.279 -7.131 2.506 1.00 0.00 O ATOM 513 CB LEU A 37 -3.490 -6.677 4.569 1.00 0.00 C ATOM 514 CG LEU A 37 -4.868 -6.280 5.101 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.559 -7.468 5.774 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.768 -5.072 6.035 1.00 0.00 C ATOM 0 H LEU A 37 -3.760 -6.208 1.839 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.688 -4.762 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.586 -7.627 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.830 -6.849 5.419 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.488 -5.983 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.537 -7.159 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.683 -8.274 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.950 -7.818 6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.762 -4.810 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.125 -5.318 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.346 -4.226 5.492 1.00 0.00 H new ATOM 528 N VAL A 38 -0.439 -5.294 3.523 1.00 0.00 N ATOM 529 CA VAL A 38 0.936 -5.579 3.147 1.00 0.00 C ATOM 530 C VAL A 38 1.744 -5.911 4.403 1.00 0.00 C ATOM 531 O VAL A 38 2.082 -5.020 5.181 1.00 0.00 O ATOM 532 CB VAL A 38 1.516 -4.406 2.355 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.915 -4.736 1.832 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.584 -4.003 1.210 1.00 0.00 C ATOM 0 H VAL A 38 -0.564 -4.442 4.070 1.00 0.00 H new ATOM 0 HA VAL A 38 0.981 -6.449 2.492 1.00 0.00 H new ATOM 0 HB VAL A 38 1.603 -3.556 3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.304 -3.885 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.576 -4.951 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.863 -5.607 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.020 -3.167 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.451 -4.848 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.383 -3.706 1.615 1.00 0.00 H new ATOM 544 N ASN A 39 2.031 -7.194 4.562 1.00 0.00 N ATOM 545 CA ASN A 39 2.794 -7.654 5.710 1.00 0.00 C ATOM 546 C ASN A 39 4.268 -7.292 5.516 1.00 0.00 C ATOM 547 O ASN A 39 4.893 -7.718 4.545 1.00 0.00 O ATOM 548 CB ASN A 39 2.696 -9.174 5.863 1.00 0.00 C ATOM 549 CG ASN A 39 3.088 -9.608 7.276 1.00 0.00 C ATOM 550 OD1 ASN A 39 3.977 -9.052 7.901 1.00 0.00 O ATOM 551 ND2 ASN A 39 2.379 -10.631 7.744 1.00 0.00 N ATOM 0 H ASN A 39 1.749 -7.930 3.915 1.00 0.00 H new ATOM 0 HA ASN A 39 2.386 -7.175 6.600 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.678 -9.500 5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.347 -9.659 5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.566 -10.996 8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.649 -11.051 7.169 1.00 0.00 H new ATOM 558 N MET A 40 4.780 -6.510 6.454 1.00 0.00 N ATOM 559 CA MET A 40 6.169 -6.086 6.399 1.00 0.00 C ATOM 560 C MET A 40 7.005 -6.807 7.458 1.00 0.00 C ATOM 561 O MET A 40 7.999 -6.267 7.943 1.00 0.00 O ATOM 562 CB MET A 40 6.251 -4.575 6.624 1.00 0.00 C ATOM 563 CG MET A 40 5.413 -3.820 5.590 1.00 0.00 C ATOM 564 SD MET A 40 6.294 -3.727 4.041 1.00 0.00 S ATOM 565 CE MET A 40 7.652 -2.673 4.519 1.00 0.00 C ATOM 0 H MET A 40 4.258 -6.159 7.257 1.00 0.00 H new ATOM 0 HA MET A 40 6.568 -6.338 5.416 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.901 -4.334 7.628 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.290 -4.250 6.562 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.458 -4.325 5.445 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.191 -2.816 5.952 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.523 -1.688 4.072 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.675 -2.579 5.605 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.590 -3.108 4.173 1.00 0.00 H new ATOM 575 N ALA A 41 6.572 -8.015 7.787 1.00 0.00 N ATOM 576 CA ALA A 41 7.268 -8.815 8.780 1.00 0.00 C ATOM 577 C ALA A 41 8.706 -9.058 8.317 1.00 0.00 C ATOM 578 O ALA A 41 9.561 -9.447 9.111 1.00 0.00 O ATOM 579 CB ALA A 41 6.503 -10.119 9.014 1.00 0.00 C ATOM 0 H ALA A 41 5.747 -8.459 7.383 1.00 0.00 H new ATOM 0 HA ALA A 41 7.313 -8.288 9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.026 -10.719 9.759 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.498 -9.892 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.439 -10.676 8.079 1.00 0.00 H new ATOM 585 N SER A 42 8.928 -8.818 7.033 1.00 0.00 N ATOM 586 CA SER A 42 10.248 -9.007 6.454 1.00 0.00 C ATOM 587 C SER A 42 11.029 -7.692 6.494 1.00 0.00 C ATOM 588 O SER A 42 12.232 -7.688 6.751 1.00 0.00 O ATOM 589 CB SER A 42 10.150 -9.523 5.017 1.00 0.00 C ATOM 590 OG SER A 42 9.005 -9.010 4.342 1.00 0.00 O ATOM 0 H SER A 42 8.217 -8.495 6.377 1.00 0.00 H new ATOM 0 HA SER A 42 10.777 -9.755 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.050 -9.243 4.469 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.108 -10.612 5.025 1.00 0.00 H new ATOM 0 HG SER A 42 8.980 -9.361 3.428 1.00 0.00 H new ATOM 596 N PHE A 43 10.313 -6.607 6.236 1.00 0.00 N ATOM 597 CA PHE A 43 10.925 -5.289 6.239 1.00 0.00 C ATOM 598 C PHE A 43 10.175 -4.339 7.176 1.00 0.00 C ATOM 599 O PHE A 43 9.486 -3.428 6.721 1.00 0.00 O ATOM 600 CB PHE A 43 10.836 -4.751 4.810 1.00 0.00 C ATOM 601 CG PHE A 43 11.745 -5.475 3.815 1.00 0.00 C ATOM 602 CD1 PHE A 43 11.365 -6.673 3.294 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.932 -4.921 3.451 1.00 0.00 C ATOM 604 CE1 PHE A 43 12.208 -7.345 2.370 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.776 -5.594 2.527 1.00 0.00 C ATOM 606 CZ PHE A 43 13.396 -6.791 2.007 1.00 0.00 C ATOM 0 H PHE A 43 9.315 -6.614 6.024 1.00 0.00 H new ATOM 0 HA PHE A 43 11.957 -5.359 6.584 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.804 -4.829 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.091 -3.691 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.422 -7.113 3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.233 -3.970 3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.906 -8.296 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.719 -5.155 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.038 -7.303 1.305 1.00 0.00 H new ATOM 616 N PRO A 44 10.341 -4.592 8.503 1.00 0.00 N ATOM 617 CA PRO A 44 9.688 -3.770 9.508 1.00 0.00 C ATOM 618 C PRO A 44 10.384 -2.415 9.644 1.00 0.00 C ATOM 619 O PRO A 44 9.918 -1.544 10.377 1.00 0.00 O ATOM 620 CB PRO A 44 9.739 -4.595 10.784 1.00 0.00 C ATOM 621 CG PRO A 44 10.821 -5.639 10.562 1.00 0.00 C ATOM 622 CD PRO A 44 11.150 -5.662 9.078 1.00 0.00 C ATOM 0 HA PRO A 44 8.658 -3.526 9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.972 -3.969 11.645 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.777 -5.066 10.983 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.709 -5.398 11.146 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.479 -6.620 10.892 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.213 -5.492 8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.905 -6.626 8.633 1.00 0.00 H new ATOM 630 N GLU A 45 11.489 -2.278 8.926 1.00 0.00 N ATOM 631 CA GLU A 45 12.254 -1.043 8.957 1.00 0.00 C ATOM 632 C GLU A 45 11.886 -0.160 7.763 1.00 0.00 C ATOM 633 O GLU A 45 12.114 1.049 7.787 1.00 0.00 O ATOM 634 CB GLU A 45 13.757 -1.329 8.984 1.00 0.00 C ATOM 635 CG GLU A 45 14.184 -2.133 7.755 1.00 0.00 C ATOM 636 CD GLU A 45 15.436 -1.531 7.114 1.00 0.00 C ATOM 637 OE1 GLU A 45 15.325 -0.391 6.613 1.00 0.00 O ATOM 638 OE2 GLU A 45 16.476 -2.223 7.140 1.00 0.00 O ATOM 0 H GLU A 45 11.873 -3.002 8.319 1.00 0.00 H new ATOM 0 HA GLU A 45 12.003 -0.507 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.309 -0.390 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.010 -1.880 9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.379 -3.166 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.372 -2.152 7.028 1.00 0.00 H new ATOM 645 N CYS A 46 11.322 -0.798 6.748 1.00 0.00 N ATOM 646 CA CYS A 46 10.920 -0.085 5.547 1.00 0.00 C ATOM 647 C CYS A 46 9.394 0.023 5.541 1.00 0.00 C ATOM 648 O CYS A 46 8.788 0.253 4.495 1.00 0.00 O ATOM 649 CB CYS A 46 11.449 -0.764 4.282 1.00 0.00 C ATOM 650 SG CYS A 46 12.966 0.082 3.705 1.00 0.00 S ATOM 0 H CYS A 46 11.134 -1.800 6.732 1.00 0.00 H new ATOM 0 HA CYS A 46 11.354 0.915 5.552 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.663 -1.813 4.485 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.689 -0.739 3.501 1.00 0.00 H new ATOM 0 HG CYS A 46 13.408 -0.504 2.632 1.00 0.00 H new ATOM 656 N THR A 47 8.815 -0.147 6.721 1.00 0.00 N ATOM 657 CA THR A 47 7.372 -0.072 6.865 1.00 0.00 C ATOM 658 C THR A 47 6.861 1.296 6.407 1.00 0.00 C ATOM 659 O THR A 47 5.965 1.379 5.568 1.00 0.00 O ATOM 660 CB THR A 47 7.024 -0.394 8.319 1.00 0.00 C ATOM 661 OG1 THR A 47 7.395 -1.762 8.470 1.00 0.00 O ATOM 662 CG2 THR A 47 5.516 -0.387 8.576 1.00 0.00 C ATOM 0 H THR A 47 9.320 -0.337 7.587 1.00 0.00 H new ATOM 0 HA THR A 47 6.873 -0.801 6.227 1.00 0.00 H new ATOM 0 HB THR A 47 7.507 0.329 8.976 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.062 -2.099 9.328 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.324 -0.622 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.112 0.599 8.345 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.036 -1.133 7.943 1.00 0.00 H new ATOM 670 N ALA A 48 7.453 2.335 6.979 1.00 0.00 N ATOM 671 CA ALA A 48 7.069 3.694 6.640 1.00 0.00 C ATOM 672 C ALA A 48 7.294 3.926 5.144 1.00 0.00 C ATOM 673 O ALA A 48 6.420 4.449 4.455 1.00 0.00 O ATOM 674 CB ALA A 48 7.857 4.679 7.507 1.00 0.00 C ATOM 0 H ALA A 48 8.195 2.262 7.675 1.00 0.00 H new ATOM 0 HA ALA A 48 6.010 3.855 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.569 5.699 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.640 4.492 8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.924 4.548 7.328 1.00 0.00 H new ATOM 680 N ALA A 49 8.471 3.525 4.687 1.00 0.00 N ATOM 681 CA ALA A 49 8.822 3.682 3.285 1.00 0.00 C ATOM 682 C ALA A 49 7.603 3.360 2.419 1.00 0.00 C ATOM 683 O ALA A 49 7.174 4.184 1.613 1.00 0.00 O ATOM 684 CB ALA A 49 10.023 2.792 2.957 1.00 0.00 C ATOM 0 H ALA A 49 9.194 3.092 5.262 1.00 0.00 H new ATOM 0 HA ALA A 49 9.112 4.711 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.287 2.909 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.871 3.081 3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.768 1.750 3.153 1.00 0.00 H new ATOM 690 N ALA A 50 7.079 2.159 2.615 1.00 0.00 N ATOM 691 CA ALA A 50 5.917 1.717 1.862 1.00 0.00 C ATOM 692 C ALA A 50 4.815 2.773 1.968 1.00 0.00 C ATOM 693 O ALA A 50 4.425 3.371 0.966 1.00 0.00 O ATOM 694 CB ALA A 50 5.466 0.349 2.376 1.00 0.00 C ATOM 0 H ALA A 50 7.438 1.478 3.284 1.00 0.00 H new ATOM 0 HA ALA A 50 6.164 1.603 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.595 0.017 1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.275 -0.371 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.207 0.424 3.432 1.00 0.00 H new ATOM 700 N ILE A 51 4.344 2.970 3.190 1.00 0.00 N ATOM 701 CA ILE A 51 3.294 3.943 3.440 1.00 0.00 C ATOM 702 C ILE A 51 3.565 5.202 2.614 1.00 0.00 C ATOM 703 O ILE A 51 2.635 5.832 2.113 1.00 0.00 O ATOM 704 CB ILE A 51 3.156 4.209 4.940 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.389 3.078 5.629 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.516 5.575 5.198 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.106 2.627 6.903 1.00 0.00 C ATOM 0 H ILE A 51 4.670 2.472 4.018 1.00 0.00 H new ATOM 0 HA ILE A 51 2.328 3.553 3.119 1.00 0.00 H new ATOM 0 HB ILE A 51 4.155 4.233 5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.381 3.414 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.287 2.234 4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.429 5.739 6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.137 6.356 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.525 5.604 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.540 1.823 7.373 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.105 2.270 6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.185 3.467 7.593 1.00 0.00 H new ATOM 719 N LYS A 52 4.843 5.531 2.498 1.00 0.00 N ATOM 720 CA LYS A 52 5.248 6.704 1.742 1.00 0.00 C ATOM 721 C LYS A 52 4.875 6.511 0.271 1.00 0.00 C ATOM 722 O LYS A 52 4.009 7.212 -0.251 1.00 0.00 O ATOM 723 CB LYS A 52 6.733 6.999 1.966 1.00 0.00 C ATOM 724 CG LYS A 52 6.923 8.339 2.679 1.00 0.00 C ATOM 725 CD LYS A 52 8.034 8.250 3.727 1.00 0.00 C ATOM 726 CE LYS A 52 7.624 8.952 5.023 1.00 0.00 C ATOM 727 NZ LYS A 52 8.493 8.524 6.142 1.00 0.00 N ATOM 0 H LYS A 52 5.612 5.006 2.915 1.00 0.00 H new ATOM 0 HA LYS A 52 4.714 7.587 2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.181 6.201 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.253 7.015 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.167 9.112 1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.990 8.636 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.262 7.204 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.945 8.704 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.691 10.032 4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.584 8.723 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.201 9.010 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.408 7.496 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.481 8.765 5.926 1.00 0.00 H new ATOM 741 N ALA A 53 5.547 5.557 -0.357 1.00 0.00 N ATOM 742 CA ALA A 53 5.297 5.263 -1.758 1.00 0.00 C ATOM 743 C ALA A 53 3.828 5.546 -2.079 1.00 0.00 C ATOM 744 O ALA A 53 3.525 6.308 -2.996 1.00 0.00 O ATOM 745 CB ALA A 53 5.689 3.814 -2.053 1.00 0.00 C ATOM 0 H ALA A 53 6.264 4.978 0.079 1.00 0.00 H new ATOM 0 HA ALA A 53 5.904 5.902 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.502 3.593 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.748 3.672 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.097 3.143 -1.430 1.00 0.00 H new ATOM 751 N ILE A 54 2.954 4.917 -1.307 1.00 0.00 N ATOM 752 CA ILE A 54 1.524 5.092 -1.498 1.00 0.00 C ATOM 753 C ILE A 54 1.202 6.586 -1.567 1.00 0.00 C ATOM 754 O ILE A 54 0.692 7.069 -2.577 1.00 0.00 O ATOM 755 CB ILE A 54 0.744 4.345 -0.415 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.969 2.835 -0.520 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.742 4.707 -0.462 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.638 2.291 0.745 1.00 0.00 C ATOM 0 H ILE A 54 3.209 4.285 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 54 1.210 4.654 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 54 1.122 4.660 0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.015 2.332 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.591 2.616 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.274 4.162 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.861 5.779 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.151 4.438 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.787 1.216 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.603 2.779 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.002 2.490 1.607 1.00 0.00 H new ATOM 770 N ARG A 55 1.515 7.277 -0.481 1.00 0.00 N ATOM 771 CA ARG A 55 1.265 8.707 -0.405 1.00 0.00 C ATOM 772 C ARG A 55 1.987 9.432 -1.543 1.00 0.00 C ATOM 773 O ARG A 55 1.533 10.479 -2.003 1.00 0.00 O ATOM 774 CB ARG A 55 1.735 9.278 0.934 1.00 0.00 C ATOM 775 CG ARG A 55 0.665 9.098 2.013 1.00 0.00 C ATOM 776 CD ARG A 55 1.180 8.218 3.154 1.00 0.00 C ATOM 777 NE ARG A 55 1.231 8.998 4.411 1.00 0.00 N ATOM 778 CZ ARG A 55 2.095 9.996 4.641 1.00 0.00 C ATOM 779 NH1 ARG A 55 2.985 10.342 3.701 1.00 0.00 N ATOM 780 NH2 ARG A 55 2.068 10.648 5.811 1.00 0.00 N ATOM 0 H ARG A 55 1.940 6.873 0.354 1.00 0.00 H new ATOM 0 HA ARG A 55 0.190 8.862 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.655 8.781 1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.967 10.337 0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.371 10.072 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.226 8.648 1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.529 7.353 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.172 7.838 2.912 1.00 0.00 H new ATOM 0 HE ARG A 55 0.567 8.761 5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.005 9.846 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.643 11.102 3.876 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.390 10.385 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.725 11.408 5.987 1.00 0.00 H new ATOM 794 N GLU A 56 3.098 8.847 -1.965 1.00 0.00 N ATOM 795 CA GLU A 56 3.887 9.424 -3.040 1.00 0.00 C ATOM 796 C GLU A 56 3.619 8.684 -4.351 1.00 0.00 C ATOM 797 O GLU A 56 4.455 8.689 -5.254 1.00 0.00 O ATOM 798 CB GLU A 56 5.377 9.408 -2.696 1.00 0.00 C ATOM 799 CG GLU A 56 5.680 10.346 -1.525 1.00 0.00 C ATOM 800 CD GLU A 56 7.037 11.029 -1.706 1.00 0.00 C ATOM 801 OE1 GLU A 56 7.232 11.626 -2.786 1.00 0.00 O ATOM 802 OE2 GLU A 56 7.849 10.937 -0.760 1.00 0.00 O ATOM 0 H GLU A 56 3.471 7.978 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 56 3.588 10.465 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.684 8.393 -2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.958 9.709 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.897 11.100 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.674 9.782 -0.592 1.00 0.00 H new ATOM 809 N SER A 57 2.449 8.064 -4.416 1.00 0.00 N ATOM 810 CA SER A 57 2.061 7.320 -5.602 1.00 0.00 C ATOM 811 C SER A 57 0.870 8.001 -6.280 1.00 0.00 C ATOM 812 O SER A 57 -0.103 7.342 -6.642 1.00 0.00 O ATOM 813 CB SER A 57 1.716 5.870 -5.255 1.00 0.00 C ATOM 814 OG SER A 57 2.883 5.085 -5.026 1.00 0.00 O ATOM 0 H SER A 57 1.758 8.062 -3.666 1.00 0.00 H new ATOM 0 HA SER A 57 2.906 7.309 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.085 5.850 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.137 5.431 -6.067 1.00 0.00 H new ATOM 0 HG SER A 57 3.562 5.631 -4.577 1.00 0.00 H new ATOM 820 N GLY A 58 0.986 9.312 -6.431 1.00 0.00 N ATOM 821 CA GLY A 58 -0.069 10.090 -7.058 1.00 0.00 C ATOM 822 C GLY A 58 -1.449 9.567 -6.656 1.00 0.00 C ATOM 823 O GLY A 58 -2.358 9.503 -7.482 1.00 0.00 O ATOM 0 H GLY A 58 1.795 9.855 -6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.025 11.137 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.038 10.048 -8.142 1.00 0.00 H new ATOM 827 N MET A 59 -1.562 9.205 -5.386 1.00 0.00 N ATOM 828 CA MET A 59 -2.816 8.689 -4.864 1.00 0.00 C ATOM 829 C MET A 59 -3.139 9.307 -3.502 1.00 0.00 C ATOM 830 O MET A 59 -2.513 8.968 -2.499 1.00 0.00 O ATOM 831 CB MET A 59 -2.725 7.168 -4.726 1.00 0.00 C ATOM 832 CG MET A 59 -3.019 6.478 -6.059 1.00 0.00 C ATOM 833 SD MET A 59 -3.516 4.787 -5.775 1.00 0.00 S ATOM 834 CE MET A 59 -1.920 4.036 -5.503 1.00 0.00 C ATOM 0 H MET A 59 -0.806 9.259 -4.704 1.00 0.00 H new ATOM 0 HA MET A 59 -3.613 8.952 -5.560 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.730 6.890 -4.380 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.432 6.825 -3.971 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.807 7.013 -6.589 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.134 6.504 -6.694 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.953 3.430 -4.598 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.666 3.404 -6.354 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.166 4.815 -5.391 1.00 0.00 H new ATOM 844 N ASN A 60 -4.114 10.204 -3.511 1.00 0.00 N ATOM 845 CA ASN A 60 -4.527 10.872 -2.289 1.00 0.00 C ATOM 846 C ASN A 60 -5.222 9.864 -1.371 1.00 0.00 C ATOM 847 O ASN A 60 -6.415 9.989 -1.097 1.00 0.00 O ATOM 848 CB ASN A 60 -5.516 12.001 -2.585 1.00 0.00 C ATOM 849 CG ASN A 60 -4.781 13.301 -2.918 1.00 0.00 C ATOM 850 OD1 ASN A 60 -4.632 14.189 -2.095 1.00 0.00 O ATOM 851 ND2 ASN A 60 -4.330 13.363 -4.168 1.00 0.00 N ATOM 0 H ASN A 60 -4.630 10.484 -4.345 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.637 11.287 -1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.157 11.718 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.165 12.156 -1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.825 14.190 -4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.489 12.584 -4.807 1.00 0.00 H new ATOM 858 N LEU A 61 -4.447 8.889 -0.921 1.00 0.00 N ATOM 859 CA LEU A 61 -4.972 7.860 -0.040 1.00 0.00 C ATOM 860 C LEU A 61 -4.342 8.011 1.346 1.00 0.00 C ATOM 861 O LEU A 61 -3.333 8.697 1.501 1.00 0.00 O ATOM 862 CB LEU A 61 -4.777 6.474 -0.658 1.00 0.00 C ATOM 863 CG LEU A 61 -5.524 6.212 -1.967 1.00 0.00 C ATOM 864 CD1 LEU A 61 -4.881 5.060 -2.743 1.00 0.00 C ATOM 865 CD2 LEU A 61 -7.012 5.970 -1.710 1.00 0.00 C ATOM 0 H LEU A 61 -3.458 8.790 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.048 7.978 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.712 6.323 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.089 5.726 0.071 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.446 7.103 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.431 4.894 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.846 5.311 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.908 4.154 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.520 5.786 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.133 5.104 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.446 6.847 -1.230 1.00 0.00 H new ATOM 877 N ASN A 62 -4.963 7.358 2.317 1.00 0.00 N ATOM 878 CA ASN A 62 -4.475 7.411 3.685 1.00 0.00 C ATOM 879 C ASN A 62 -4.217 5.988 4.185 1.00 0.00 C ATOM 880 O ASN A 62 -5.092 5.371 4.790 1.00 0.00 O ATOM 881 CB ASN A 62 -5.505 8.058 4.613 1.00 0.00 C ATOM 882 CG ASN A 62 -4.854 8.517 5.919 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.105 7.795 6.557 1.00 0.00 O ATOM 884 ND2 ASN A 62 -5.181 9.754 6.281 1.00 0.00 N ATOM 0 H ASN A 62 -5.799 6.790 2.184 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.560 8.003 3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.966 8.910 4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.302 7.347 4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.799 10.152 7.139 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.814 10.305 5.701 1.00 0.00 H new ATOM 891 N PRO A 63 -2.980 5.496 3.906 1.00 0.00 N ATOM 892 CA PRO A 63 -2.596 4.158 4.321 1.00 0.00 C ATOM 893 C PRO A 63 -2.314 4.109 5.824 1.00 0.00 C ATOM 894 O PRO A 63 -1.835 5.084 6.401 1.00 0.00 O ATOM 895 CB PRO A 63 -1.378 3.819 3.477 1.00 0.00 C ATOM 896 CG PRO A 63 -0.847 5.146 2.959 1.00 0.00 C ATOM 897 CD PRO A 63 -1.919 6.199 3.191 1.00 0.00 C ATOM 0 HA PRO A 63 -3.389 3.426 4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.624 3.301 4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.646 3.157 2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.073 5.417 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.606 5.073 1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.534 7.034 3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.281 6.610 2.249 1.00 0.00 H new ATOM 905 N GLU A 64 -2.624 2.964 6.415 1.00 0.00 N ATOM 906 CA GLU A 64 -2.410 2.776 7.839 1.00 0.00 C ATOM 907 C GLU A 64 -1.197 1.874 8.079 1.00 0.00 C ATOM 908 O GLU A 64 -0.578 1.395 7.130 1.00 0.00 O ATOM 909 CB GLU A 64 -3.660 2.203 8.510 1.00 0.00 C ATOM 910 CG GLU A 64 -4.816 3.204 8.461 1.00 0.00 C ATOM 911 CD GLU A 64 -5.302 3.549 9.870 1.00 0.00 C ATOM 912 OE1 GLU A 64 -4.462 4.036 10.657 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.503 3.318 10.128 1.00 0.00 O ATOM 0 H GLU A 64 -3.022 2.158 5.933 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.210 3.749 8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.953 1.279 8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.437 1.950 9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.494 4.112 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.639 2.787 7.881 1.00 0.00 H new ATOM 920 N VAL A 65 -0.893 1.672 9.353 1.00 0.00 N ATOM 921 CA VAL A 65 0.235 0.837 9.729 1.00 0.00 C ATOM 922 C VAL A 65 0.012 0.292 11.141 1.00 0.00 C ATOM 923 O VAL A 65 -0.058 1.057 12.102 1.00 0.00 O ATOM 924 CB VAL A 65 1.539 1.625 9.592 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.769 2.521 10.811 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.726 0.687 9.369 1.00 0.00 C ATOM 0 H VAL A 65 -1.408 2.072 10.137 1.00 0.00 H new ATOM 0 HA VAL A 65 0.316 -0.019 9.059 1.00 0.00 H new ATOM 0 HB VAL A 65 1.451 2.268 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.703 3.070 10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.943 3.226 10.905 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.825 1.906 11.709 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.640 1.273 9.275 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.816 0.007 10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.569 0.111 8.457 1.00 0.00 H new ATOM 936 N GLU A 66 -0.094 -1.026 11.223 1.00 0.00 N ATOM 937 CA GLU A 66 -0.308 -1.682 12.502 1.00 0.00 C ATOM 938 C GLU A 66 0.739 -2.777 12.719 1.00 0.00 C ATOM 939 O GLU A 66 0.657 -3.847 12.118 1.00 0.00 O ATOM 940 CB GLU A 66 -1.724 -2.252 12.595 1.00 0.00 C ATOM 941 CG GLU A 66 -2.613 -1.371 13.475 1.00 0.00 C ATOM 942 CD GLU A 66 -3.251 -0.246 12.658 1.00 0.00 C ATOM 943 OE1 GLU A 66 -3.874 -0.578 11.626 1.00 0.00 O ATOM 944 OE2 GLU A 66 -3.102 0.920 13.083 1.00 0.00 O ATOM 0 H GLU A 66 -0.036 -1.658 10.424 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.198 -0.939 13.292 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.155 -2.328 11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.687 -3.262 13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.393 -1.979 13.934 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.021 -0.946 14.286 1.00 0.00 H new ATOM 951 N GLY A 67 1.699 -2.471 13.579 1.00 0.00 N ATOM 952 CA GLY A 67 2.761 -3.415 13.883 1.00 0.00 C ATOM 953 C GLY A 67 3.669 -3.628 12.669 1.00 0.00 C ATOM 954 O GLY A 67 4.698 -2.968 12.536 1.00 0.00 O ATOM 0 H GLY A 67 1.764 -1.582 14.075 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.351 -3.047 14.723 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.329 -4.367 14.190 1.00 0.00 H new ATOM 958 N THR A 68 3.254 -4.553 11.816 1.00 0.00 N ATOM 959 CA THR A 68 4.017 -4.862 10.618 1.00 0.00 C ATOM 960 C THR A 68 3.085 -4.989 9.411 1.00 0.00 C ATOM 961 O THR A 68 3.508 -5.418 8.339 1.00 0.00 O ATOM 962 CB THR A 68 4.834 -6.126 10.891 1.00 0.00 C ATOM 963 OG1 THR A 68 3.990 -6.911 11.728 1.00 0.00 O ATOM 964 CG2 THR A 68 6.066 -5.852 11.756 1.00 0.00 C ATOM 0 H THR A 68 2.400 -5.098 11.930 1.00 0.00 H new ATOM 0 HA THR A 68 4.710 -4.057 10.371 1.00 0.00 H new ATOM 0 HB THR A 68 5.146 -6.567 9.945 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.442 -7.751 11.952 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.610 -6.782 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.714 -5.137 11.250 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.753 -5.442 12.716 1.00 0.00 H new ATOM 972 N LEU A 69 1.835 -4.607 9.626 1.00 0.00 N ATOM 973 CA LEU A 69 0.840 -4.673 8.569 1.00 0.00 C ATOM 974 C LEU A 69 0.554 -3.261 8.055 1.00 0.00 C ATOM 975 O LEU A 69 0.721 -2.285 8.785 1.00 0.00 O ATOM 976 CB LEU A 69 -0.407 -5.416 9.052 1.00 0.00 C ATOM 977 CG LEU A 69 -0.539 -6.872 8.598 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.755 -6.957 7.086 1.00 0.00 C ATOM 979 CD2 LEU A 69 0.665 -7.699 9.052 1.00 0.00 C ATOM 0 H LEU A 69 1.488 -4.251 10.517 1.00 0.00 H new ATOM 0 HA LEU A 69 1.219 -5.249 7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.420 -5.393 10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.286 -4.869 8.712 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.421 -7.300 9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.846 -8.002 6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.667 -6.423 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.094 -6.506 6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.546 -8.729 8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.576 -7.281 8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.732 -7.677 10.140 1.00 0.00 H new ATOM 991 N ILE A 70 0.127 -3.197 6.802 1.00 0.00 N ATOM 992 CA ILE A 70 -0.184 -1.920 6.182 1.00 0.00 C ATOM 993 C ILE A 70 -1.592 -1.976 5.587 1.00 0.00 C ATOM 994 O ILE A 70 -1.868 -2.796 4.712 1.00 0.00 O ATOM 995 CB ILE A 70 0.897 -1.539 5.169 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.292 -1.643 5.789 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.634 -0.151 4.582 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.341 -0.977 4.897 1.00 0.00 C ATOM 0 H ILE A 70 -0.011 -4.009 6.200 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.184 -1.125 6.927 1.00 0.00 H new ATOM 0 HB ILE A 70 0.857 -2.251 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.293 -1.171 6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.550 -2.691 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.417 0.095 3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.333 -0.146 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.630 0.588 5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.323 -1.066 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.355 -1.467 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.094 0.077 4.769 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.446 -1.094 6.085 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.819 -1.034 5.613 1.00 0.00 C ATOM 1012 C ARG A 71 -3.965 0.049 4.542 1.00 0.00 C ATOM 1013 O ARG A 71 -3.550 1.189 4.746 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.784 -0.737 6.763 1.00 0.00 C ATOM 1015 CG ARG A 71 -6.006 -1.656 6.703 1.00 0.00 C ATOM 1016 CD ARG A 71 -7.017 -1.295 7.794 1.00 0.00 C ATOM 1017 NE ARG A 71 -8.274 -0.814 7.180 1.00 0.00 N ATOM 1018 CZ ARG A 71 -9.432 -0.685 7.841 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -9.500 -1.000 9.142 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -10.523 -0.240 7.202 1.00 0.00 N ATOM 0 H ARG A 71 -2.214 -0.415 6.810 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.066 -2.007 5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.272 -0.869 7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.104 0.304 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.478 -1.576 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.692 -2.693 6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.217 -2.166 8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.603 -0.525 8.445 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.258 -0.565 6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.670 -1.338 9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.382 -0.902 9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.472 0.001 6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.405 -0.142 7.706 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.556 -0.345 3.423 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.762 0.577 2.320 1.00 0.00 C ATOM 1036 C VAL A 72 -6.197 0.440 1.807 1.00 0.00 C ATOM 1037 O VAL A 72 -6.498 -0.464 1.030 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.712 0.335 1.233 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.298 0.581 -0.159 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.472 1.199 1.466 1.00 0.00 C ATOM 0 H VAL A 72 -4.899 -1.291 3.257 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.634 1.607 2.654 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.407 -0.710 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.532 0.402 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.136 -0.096 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.644 1.612 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.742 1.007 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.754 2.252 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.035 0.955 2.434 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.066 1.375 2.275 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.462 1.367 1.872 1.00 0.00 C ATOM 1052 C PRO A 73 -8.623 1.885 0.441 1.00 0.00 C ATOM 1053 O PRO A 73 -8.025 2.894 0.071 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.173 2.233 2.900 1.00 0.00 C ATOM 1055 CG PRO A 73 -8.089 3.067 3.564 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.744 2.461 3.197 1.00 0.00 C ATOM 0 HA PRO A 73 -8.888 0.364 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.920 2.870 2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.697 1.619 3.632 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.145 4.103 3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.222 3.074 4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.092 3.198 2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.223 2.090 4.079 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.432 1.169 -0.325 1.00 0.00 N ATOM 1065 CA ILE A 74 -9.679 1.543 -1.708 1.00 0.00 C ATOM 1066 C ILE A 74 -10.708 2.674 -1.749 1.00 0.00 C ATOM 1067 O ILE A 74 -11.672 2.671 -0.985 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.079 0.317 -2.531 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -9.045 -0.802 -2.387 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.317 0.693 -3.995 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -7.935 -0.659 -3.430 1.00 0.00 C ATOM 0 H ILE A 74 -9.925 0.332 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.768 1.924 -2.169 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.022 -0.064 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.614 -0.777 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.533 -1.770 -2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.600 -0.197 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.117 1.431 -4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.404 1.113 -4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.213 -1.466 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.367 -0.708 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.433 0.300 -3.298 1.00 0.00 H new ATOM 1083 N PRO A 75 -10.462 3.641 -2.674 1.00 0.00 N ATOM 1084 CA PRO A 75 -11.355 4.776 -2.826 1.00 0.00 C ATOM 1085 C PRO A 75 -12.643 4.369 -3.544 1.00 0.00 C ATOM 1086 O PRO A 75 -12.686 3.335 -4.210 1.00 0.00 O ATOM 1087 CB PRO A 75 -10.549 5.812 -3.593 1.00 0.00 C ATOM 1088 CG PRO A 75 -9.407 5.050 -4.245 1.00 0.00 C ATOM 1089 CD PRO A 75 -9.330 3.678 -3.596 1.00 0.00 C ATOM 0 HA PRO A 75 -11.689 5.179 -1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.165 6.310 -4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.171 6.586 -2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.575 4.956 -5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -8.467 5.587 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.398 2.884 -4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.385 3.541 -3.069 1.00 0.00 H new ATOM 1097 N LYS A 76 -13.661 5.202 -3.385 1.00 0.00 N ATOM 1098 CA LYS A 76 -14.947 4.941 -4.010 1.00 0.00 C ATOM 1099 C LYS A 76 -14.814 5.104 -5.526 1.00 0.00 C ATOM 1100 O LYS A 76 -13.932 5.817 -6.002 1.00 0.00 O ATOM 1101 CB LYS A 76 -16.033 5.821 -3.389 1.00 0.00 C ATOM 1102 CG LYS A 76 -16.453 5.289 -2.018 1.00 0.00 C ATOM 1103 CD LYS A 76 -16.066 6.268 -0.907 1.00 0.00 C ATOM 1104 CE LYS A 76 -16.476 5.730 0.465 1.00 0.00 C ATOM 1105 NZ LYS A 76 -17.895 6.047 0.743 1.00 0.00 N ATOM 0 H LYS A 76 -13.622 6.058 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.259 3.913 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.666 6.842 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.899 5.857 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.530 5.124 -2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.980 4.324 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.990 6.440 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.546 7.231 -1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.325 4.651 0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.842 6.165 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.157 5.675 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.029 7.078 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.497 5.611 0.016 1.00 0.00 H new ATOM 1119 N VAL A 77 -15.704 4.432 -6.241 1.00 0.00 N ATOM 1120 CA VAL A 77 -15.698 4.493 -7.693 1.00 0.00 C ATOM 1121 C VAL A 77 -16.765 5.485 -8.161 1.00 0.00 C ATOM 1122 O VAL A 77 -17.815 5.614 -7.535 1.00 0.00 O ATOM 1123 CB VAL A 77 -15.886 3.092 -8.277 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -14.758 2.158 -7.835 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -17.253 2.519 -7.897 1.00 0.00 C ATOM 0 H VAL A 77 -16.434 3.842 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.736 4.854 -8.056 1.00 0.00 H new ATOM 0 HB VAL A 77 -15.847 3.174 -9.363 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -14.916 1.168 -8.264 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.802 2.554 -8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.751 2.085 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -17.361 1.522 -8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.333 2.459 -6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -18.039 3.167 -8.284 1.00 0.00 H new ATOM 1135 N THR A 78 -16.458 6.160 -9.259 1.00 0.00 N ATOM 1136 CA THR A 78 -17.378 7.136 -9.819 1.00 0.00 C ATOM 1137 C THR A 78 -18.682 6.458 -10.242 1.00 0.00 C ATOM 1138 O THR A 78 -19.755 6.809 -9.755 1.00 0.00 O ATOM 1139 CB THR A 78 -16.665 7.852 -10.968 1.00 0.00 C ATOM 1140 OG1 THR A 78 -15.724 8.701 -10.317 1.00 0.00 O ATOM 1141 CG2 THR A 78 -17.585 8.819 -11.716 1.00 0.00 C ATOM 0 H THR A 78 -15.585 6.051 -9.776 1.00 0.00 H new ATOM 0 HA THR A 78 -17.662 7.883 -9.078 1.00 0.00 H new ATOM 0 HB THR A 78 -16.270 7.114 -11.666 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.216 9.202 -10.989 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.030 9.300 -12.521 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.428 8.269 -12.135 1.00 0.00 H new ATOM 0 HG23 THR A 78 -17.954 9.578 -11.026 1.00 0.00 H new ATOM 1149 N SER A 79 -18.547 5.497 -11.145 1.00 0.00 N ATOM 1150 CA SER A 79 -19.702 4.767 -11.639 1.00 0.00 C ATOM 1151 C SER A 79 -19.707 3.347 -11.069 1.00 0.00 C ATOM 1152 O SER A 79 -18.649 2.764 -10.838 1.00 0.00 O ATOM 1153 CB SER A 79 -19.714 4.724 -13.168 1.00 0.00 C ATOM 1154 OG SER A 79 -21.002 5.020 -13.701 1.00 0.00 O ATOM 0 H SER A 79 -17.655 5.207 -11.547 1.00 0.00 H new ATOM 0 HA SER A 79 -20.601 5.288 -11.310 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.988 5.438 -13.556 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.401 3.736 -13.505 1.00 0.00 H new ATOM 0 HG SER A 79 -20.967 4.984 -14.680 1.00 0.00 H new ATOM 1160 N GLY A 80 -20.909 2.833 -10.857 1.00 0.00 N ATOM 1161 CA GLY A 80 -21.065 1.493 -10.317 1.00 0.00 C ATOM 1162 C GLY A 80 -22.467 1.295 -9.737 1.00 0.00 C ATOM 1163 O GLY A 80 -22.762 1.769 -8.641 1.00 0.00 O ATOM 0 H GLY A 80 -21.784 3.320 -11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -20.885 0.758 -11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -20.319 1.321 -9.541 1.00 0.00 H new ATOM 1167 N PRO A 81 -23.316 0.575 -10.518 1.00 0.00 N ATOM 1168 CA PRO A 81 -24.680 0.309 -10.093 1.00 0.00 C ATOM 1169 C PRO A 81 -24.715 -0.766 -9.005 1.00 0.00 C ATOM 1170 O PRO A 81 -23.678 -1.312 -8.633 1.00 0.00 O ATOM 1171 CB PRO A 81 -25.413 -0.103 -11.359 1.00 0.00 C ATOM 1172 CG PRO A 81 -24.335 -0.501 -12.354 1.00 0.00 C ATOM 1173 CD PRO A 81 -23.002 -0.002 -11.822 1.00 0.00 C ATOM 0 HA PRO A 81 -25.156 1.178 -9.638 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -26.091 -0.934 -11.165 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -26.017 0.718 -11.745 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -24.314 -1.583 -12.481 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -24.541 -0.069 -13.333 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -22.282 -0.815 -11.732 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -22.563 0.740 -12.488 1.00 0.00 H new ATOM 1181 N SER A 82 -25.920 -1.037 -8.525 1.00 0.00 N ATOM 1182 CA SER A 82 -26.104 -2.036 -7.486 1.00 0.00 C ATOM 1183 C SER A 82 -25.219 -1.710 -6.283 1.00 0.00 C ATOM 1184 O SER A 82 -24.195 -2.357 -6.067 1.00 0.00 O ATOM 1185 CB SER A 82 -25.791 -3.439 -8.011 1.00 0.00 C ATOM 1186 OG SER A 82 -25.700 -4.395 -6.958 1.00 0.00 O ATOM 0 H SER A 82 -26.778 -0.582 -8.836 1.00 0.00 H new ATOM 0 HA SER A 82 -27.148 -2.018 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 82 -26.567 -3.745 -8.712 1.00 0.00 H new ATOM 0 HB3 SER A 82 -24.852 -3.418 -8.564 1.00 0.00 H new ATOM 0 HG SER A 82 -25.023 -4.106 -6.311 1.00 0.00 H new ATOM 1192 N SER A 83 -25.645 -0.706 -5.530 1.00 0.00 N ATOM 1193 CA SER A 83 -24.903 -0.286 -4.353 1.00 0.00 C ATOM 1194 C SER A 83 -25.719 0.734 -3.557 1.00 0.00 C ATOM 1195 O SER A 83 -25.997 0.527 -2.376 1.00 0.00 O ATOM 1196 CB SER A 83 -23.546 0.306 -4.740 1.00 0.00 C ATOM 1197 OG SER A 83 -22.538 0.003 -3.779 1.00 0.00 O ATOM 0 H SER A 83 -26.494 -0.171 -5.712 1.00 0.00 H new ATOM 0 HA SER A 83 -24.723 -1.163 -3.731 1.00 0.00 H new ATOM 0 HB2 SER A 83 -23.246 -0.081 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 83 -23.638 1.387 -4.841 1.00 0.00 H new ATOM 0 HG SER A 83 -21.687 0.397 -4.063 1.00 0.00 H new ATOM 1203 N GLY A 84 -26.081 1.814 -4.234 1.00 0.00 N ATOM 1204 CA GLY A 84 -26.861 2.866 -3.605 1.00 0.00 C ATOM 1205 C GLY A 84 -26.028 3.616 -2.563 1.00 0.00 C ATOM 1206 O GLY A 84 -26.040 3.265 -1.384 1.00 0.00 O ATOM 0 H GLY A 84 -25.848 1.983 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -27.216 3.564 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -27.743 2.436 -3.130 1.00 0.00 H new TER 1210 GLY A 84