USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 974 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 73 SER OG : rot 160:sc= -0.0957 USER MOD Set 1.2: A 75 ASN : amide:sc= 0 X(o=-0.096,f=-0.56) USER MOD Set 2.1: A 10 ASN : amide:sc= -4.41 K(o=-4.4,f=-5.3!) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 17 ASN : amide:sc= 0.714 K(o=1.3,f=-6.9!) USER MOD Set 3.2: A 19 SER OG : rot -108:sc= 0.617 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 140:sc= -0.141 (180deg=-0.951) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0206) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.464 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.71! C(o=-4.7!,f=-9.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.557 K(o=-0.56,f=-7!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 43 SER OG : rot 72:sc= 0.225 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 33:sc= 0.869 USER MOD Single : A 49 THR OG1 : rot -67:sc= -0.332 USER MOD Single : A 50 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0514) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0606) USER MOD Single : A 61 ASN : amide:sc= -0.0767 X(o=-0.077,f=-0.12) USER MOD Single : A 64 MET CE :methyl 142:sc= -0.311 (180deg=-1.83!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00554 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0735 X(o=-0.074,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0221) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.873 K(o=-0.87,f=-3.1!) USER MOD Single : A 107 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0746) USER MOD Single : A 110 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0744) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.86) USER MOD Single : A 120 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0185) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 124.176 11.041 -3.210 1.00 0.00 N ATOM 2 CA GLY A -3 125.099 12.039 -2.596 1.00 0.00 C ATOM 3 C GLY A -3 124.453 12.629 -1.342 1.00 0.00 C ATOM 4 O GLY A -3 124.301 11.956 -0.338 1.00 0.00 O ATOM 0 H1 GLY A -3 124.616 10.640 -4.063 1.00 0.00 H new ATOM 0 H2 GLY A -3 123.985 10.279 -2.528 1.00 0.00 H new ATOM 0 H3 GLY A -3 123.283 11.507 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A -3 126.047 11.565 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A -3 125.322 12.832 -3.310 1.00 0.00 H new ATOM 10 N ALA A -2 124.073 13.884 -1.393 1.00 0.00 N ATOM 11 CA ALA A -2 123.431 14.533 -0.204 1.00 0.00 C ATOM 12 C ALA A -2 122.057 13.910 0.065 1.00 0.00 C ATOM 13 O ALA A -2 121.630 13.799 1.199 1.00 0.00 O ATOM 14 CB ALA A -2 123.284 16.011 -0.575 1.00 0.00 C ATOM 0 H ALA A -2 124.180 14.488 -2.208 1.00 0.00 H new ATOM 0 HA ALA A -2 124.025 14.401 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A -2 122.820 16.549 0.251 1.00 0.00 H new ATOM 0 HB2 ALA A -2 124.268 16.435 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A -2 122.660 16.103 -1.464 1.00 0.00 H new ATOM 20 N MET A -1 121.365 13.505 -0.974 1.00 0.00 N ATOM 21 CA MET A -1 120.017 12.884 -0.794 1.00 0.00 C ATOM 22 C MET A -1 119.985 11.493 -1.435 1.00 0.00 C ATOM 23 O MET A -1 120.806 11.171 -2.275 1.00 0.00 O ATOM 24 CB MET A -1 119.047 13.826 -1.510 1.00 0.00 C ATOM 25 CG MET A -1 118.980 15.158 -0.761 1.00 0.00 C ATOM 26 SD MET A -1 117.686 16.195 -1.489 1.00 0.00 S ATOM 27 CE MET A -1 116.269 15.274 -0.845 1.00 0.00 C ATOM 0 H MET A -1 121.679 13.579 -1.942 1.00 0.00 H new ATOM 0 HA MET A -1 119.759 12.756 0.257 1.00 0.00 H new ATOM 0 HB2 MET A -1 119.375 13.990 -2.537 1.00 0.00 H new ATOM 0 HB3 MET A -1 118.056 13.375 -1.560 1.00 0.00 H new ATOM 0 HG2 MET A -1 118.771 14.984 0.294 1.00 0.00 H new ATOM 0 HG3 MET A -1 119.942 15.667 -0.815 1.00 0.00 H new ATOM 0 HE1 MET A -1 115.494 15.973 -0.529 1.00 0.00 H new ATOM 0 HE2 MET A -1 115.874 14.622 -1.624 1.00 0.00 H new ATOM 0 HE3 MET A -1 116.584 14.671 0.007 1.00 0.00 H new ATOM 37 N GLY A 0 119.042 10.672 -1.044 1.00 0.00 N ATOM 38 CA GLY A 0 118.946 9.297 -1.621 1.00 0.00 C ATOM 39 C GLY A 0 117.474 8.904 -1.765 1.00 0.00 C ATOM 40 O GLY A 0 116.586 9.661 -1.418 1.00 0.00 O ATOM 0 H GLY A 0 118.332 10.897 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 0 119.439 9.264 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 0 119.462 8.584 -0.978 1.00 0.00 H new ATOM 44 N MET A 1 117.213 7.725 -2.274 1.00 0.00 N ATOM 45 CA MET A 1 115.800 7.269 -2.449 1.00 0.00 C ATOM 46 C MET A 1 115.417 6.292 -1.334 1.00 0.00 C ATOM 47 O MET A 1 116.235 5.519 -0.869 1.00 0.00 O ATOM 48 CB MET A 1 115.774 6.568 -3.808 1.00 0.00 C ATOM 49 CG MET A 1 116.003 7.595 -4.920 1.00 0.00 C ATOM 50 SD MET A 1 115.844 6.784 -6.530 1.00 0.00 S ATOM 51 CE MET A 1 116.327 8.203 -7.546 1.00 0.00 C ATOM 0 H MET A 1 117.921 7.056 -2.577 1.00 0.00 H new ATOM 0 HA MET A 1 115.091 8.096 -2.404 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.544 5.798 -3.846 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.816 6.068 -3.952 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.279 8.406 -4.836 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.993 8.040 -4.821 1.00 0.00 H new ATOM 0 HE1 MET A 1 116.299 7.923 -8.599 1.00 0.00 H new ATOM 0 HE2 MET A 1 115.636 9.028 -7.371 1.00 0.00 H new ATOM 0 HE3 MET A 1 117.337 8.514 -7.280 1.00 0.00 H new ATOM 61 N SER A 2 114.178 6.324 -0.904 1.00 0.00 N ATOM 62 CA SER A 2 113.727 5.403 0.183 1.00 0.00 C ATOM 63 C SER A 2 112.594 4.504 -0.321 1.00 0.00 C ATOM 64 O SER A 2 111.826 4.888 -1.184 1.00 0.00 O ATOM 65 CB SER A 2 113.227 6.320 1.298 1.00 0.00 C ATOM 66 OG SER A 2 114.270 7.209 1.678 1.00 0.00 O ATOM 0 H SER A 2 113.458 6.952 -1.262 1.00 0.00 H new ATOM 0 HA SER A 2 114.526 4.745 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.358 6.884 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.907 5.728 2.156 1.00 0.00 H new ATOM 0 HG SER A 2 113.952 7.800 2.392 1.00 0.00 H new ATOM 72 N VAL A 3 112.487 3.313 0.217 1.00 0.00 N ATOM 73 CA VAL A 3 111.408 2.368 -0.228 1.00 0.00 C ATOM 74 C VAL A 3 110.028 2.920 0.162 1.00 0.00 C ATOM 75 O VAL A 3 109.046 2.685 -0.519 1.00 0.00 O ATOM 76 CB VAL A 3 111.692 1.041 0.500 1.00 0.00 C ATOM 77 CG1 VAL A 3 110.647 -0.008 0.104 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.083 0.526 0.114 1.00 0.00 C ATOM 0 H VAL A 3 113.101 2.952 0.947 1.00 0.00 H new ATOM 0 HA VAL A 3 111.403 2.234 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 3 111.647 1.215 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 3 110.855 -0.943 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 3 109.654 0.346 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 3 110.688 -0.174 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.280 -0.413 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.125 0.363 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.835 1.262 0.399 1.00 0.00 H new ATOM 88 N ALA A 4 109.951 3.651 1.249 1.00 0.00 N ATOM 89 CA ALA A 4 108.631 4.201 1.707 1.00 0.00 C ATOM 90 C ALA A 4 108.046 5.151 0.653 1.00 0.00 C ATOM 91 O ALA A 4 106.842 5.269 0.519 1.00 0.00 O ATOM 92 CB ALA A 4 108.935 4.964 2.999 1.00 0.00 C ATOM 0 H ALA A 4 110.746 3.892 1.841 1.00 0.00 H new ATOM 0 HA ALA A 4 107.897 3.410 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 4 108.014 5.395 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 4 109.359 4.280 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.649 5.761 2.791 1.00 0.00 H new ATOM 98 N ASP A 5 108.891 5.826 -0.091 1.00 0.00 N ATOM 99 CA ASP A 5 108.389 6.764 -1.149 1.00 0.00 C ATOM 100 C ASP A 5 107.638 5.989 -2.238 1.00 0.00 C ATOM 101 O ASP A 5 106.621 6.435 -2.736 1.00 0.00 O ATOM 102 CB ASP A 5 109.639 7.431 -1.734 1.00 0.00 C ATOM 103 CG ASP A 5 110.300 8.315 -0.672 1.00 0.00 C ATOM 104 OD1 ASP A 5 109.578 8.965 0.067 1.00 0.00 O ATOM 105 OD2 ASP A 5 111.520 8.328 -0.619 1.00 0.00 O ATOM 0 H ASP A 5 109.906 5.769 -0.012 1.00 0.00 H new ATOM 0 HA ASP A 5 107.693 7.497 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.341 6.671 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 5 109.369 8.031 -2.603 1.00 0.00 H new ATOM 110 N PHE A 6 108.136 4.833 -2.608 1.00 0.00 N ATOM 111 CA PHE A 6 107.445 4.010 -3.652 1.00 0.00 C ATOM 112 C PHE A 6 106.220 3.310 -3.052 1.00 0.00 C ATOM 113 O PHE A 6 105.237 3.079 -3.731 1.00 0.00 O ATOM 114 CB PHE A 6 108.478 2.983 -4.116 1.00 0.00 C ATOM 115 CG PHE A 6 109.691 3.603 -4.768 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.814 3.958 -3.982 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.706 3.833 -6.167 1.00 0.00 C ATOM 118 CE1 PHE A 6 111.951 4.542 -4.592 1.00 0.00 C ATOM 119 CE2 PHE A 6 110.842 4.416 -6.776 1.00 0.00 C ATOM 120 CZ PHE A 6 111.965 4.770 -5.990 1.00 0.00 C ATOM 0 H PHE A 6 108.991 4.424 -2.232 1.00 0.00 H new ATOM 0 HA PHE A 6 107.088 4.622 -4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 6 108.799 2.389 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.007 2.298 -4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.804 3.783 -2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 6 108.850 3.563 -6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.807 4.813 -3.992 1.00 0.00 H new ATOM 0 HE2 PHE A 6 110.853 4.591 -7.842 1.00 0.00 H new ATOM 0 HZ PHE A 6 112.832 5.214 -6.456 1.00 0.00 H new ATOM 130 N TYR A 7 106.275 2.973 -1.784 1.00 0.00 N ATOM 131 CA TYR A 7 105.098 2.322 -1.120 1.00 0.00 C ATOM 132 C TYR A 7 103.927 3.307 -1.045 1.00 0.00 C ATOM 133 O TYR A 7 104.072 4.420 -0.575 1.00 0.00 O ATOM 134 CB TYR A 7 105.578 1.946 0.288 1.00 0.00 C ATOM 135 CG TYR A 7 106.144 0.546 0.392 1.00 0.00 C ATOM 136 CD1 TYR A 7 107.010 0.045 -0.615 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.814 -0.265 1.506 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.542 -1.263 -0.504 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.345 -1.573 1.614 1.00 0.00 C ATOM 140 CZ TYR A 7 107.208 -2.072 0.610 1.00 0.00 C ATOM 141 OH TYR A 7 107.729 -3.344 0.721 1.00 0.00 O ATOM 0 H TYR A 7 107.084 3.120 -1.180 1.00 0.00 H new ATOM 0 HA TYR A 7 104.748 1.448 -1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.340 2.659 0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.744 2.042 0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.263 0.661 -1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 7 105.156 0.115 2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.203 -1.644 -1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 7 106.091 -2.190 2.463 1.00 0.00 H new ATOM 0 HH TYR A 7 107.400 -3.762 1.544 1.00 0.00 H new ATOM 151 N GLY A 8 102.770 2.899 -1.506 1.00 0.00 N ATOM 152 CA GLY A 8 101.597 3.825 -1.537 1.00 0.00 C ATOM 153 C GLY A 8 101.667 4.742 -2.771 1.00 0.00 C ATOM 154 O GLY A 8 100.819 5.598 -2.950 1.00 0.00 O ATOM 0 H GLY A 8 102.588 1.961 -1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.672 3.249 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.578 4.428 -0.629 1.00 0.00 H new ATOM 158 N SER A 9 102.661 4.577 -3.619 1.00 0.00 N ATOM 159 CA SER A 9 102.762 5.436 -4.840 1.00 0.00 C ATOM 160 C SER A 9 101.954 4.820 -5.984 1.00 0.00 C ATOM 161 O SER A 9 101.933 3.614 -6.156 1.00 0.00 O ATOM 162 CB SER A 9 104.250 5.467 -5.190 1.00 0.00 C ATOM 163 OG SER A 9 104.458 6.353 -6.281 1.00 0.00 O ATOM 0 H SER A 9 103.403 3.885 -3.515 1.00 0.00 H new ATOM 0 HA SER A 9 102.366 6.438 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.831 5.792 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.595 4.466 -5.449 1.00 0.00 H new ATOM 0 HG SER A 9 105.411 6.376 -6.506 1.00 0.00 H new ATOM 169 N ASN A 10 101.293 5.637 -6.767 1.00 0.00 N ATOM 170 CA ASN A 10 100.519 5.107 -7.931 1.00 0.00 C ATOM 171 C ASN A 10 101.400 5.120 -9.183 1.00 0.00 C ATOM 172 O ASN A 10 101.796 6.166 -9.667 1.00 0.00 O ATOM 173 CB ASN A 10 99.323 6.064 -8.090 1.00 0.00 C ATOM 174 CG ASN A 10 98.027 5.266 -8.273 1.00 0.00 C ATOM 175 OD1 ASN A 10 97.016 5.587 -7.681 1.00 0.00 O ATOM 176 ND2 ASN A 10 98.012 4.235 -9.073 1.00 0.00 N ATOM 0 H ASN A 10 101.256 6.650 -6.649 1.00 0.00 H new ATOM 0 HA ASN A 10 100.188 4.079 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.243 6.706 -7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.481 6.716 -8.949 1.00 0.00 H new ATOM 0 HD21 ASN A 10 97.153 3.701 -9.200 1.00 0.00 H new ATOM 0 HD22 ASN A 10 98.860 3.964 -9.571 1.00 0.00 H new ATOM 183 N VAL A 11 101.707 3.959 -9.708 1.00 0.00 N ATOM 184 CA VAL A 11 102.589 3.878 -10.912 1.00 0.00 C ATOM 185 C VAL A 11 101.988 2.912 -11.935 1.00 0.00 C ATOM 186 O VAL A 11 101.113 2.127 -11.613 1.00 0.00 O ATOM 187 CB VAL A 11 103.946 3.357 -10.400 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.552 4.373 -9.429 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.766 2.014 -9.678 1.00 0.00 C ATOM 0 H VAL A 11 101.382 3.060 -9.352 1.00 0.00 H new ATOM 0 HA VAL A 11 102.697 4.843 -11.407 1.00 0.00 H new ATOM 0 HB VAL A 11 104.610 3.217 -11.253 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.512 4.003 -9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.699 5.323 -9.942 1.00 0.00 H new ATOM 0 HG13 VAL A 11 103.877 4.517 -8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.733 1.660 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.093 2.144 -8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.343 1.284 -10.368 1.00 0.00 H new ATOM 199 N GLU A 12 102.446 2.963 -13.163 1.00 0.00 N ATOM 200 CA GLU A 12 102.001 1.958 -14.174 1.00 0.00 C ATOM 201 C GLU A 12 103.211 1.160 -14.671 1.00 0.00 C ATOM 202 O GLU A 12 104.305 1.678 -14.772 1.00 0.00 O ATOM 203 CB GLU A 12 101.383 2.783 -15.309 1.00 0.00 C ATOM 204 CG GLU A 12 100.866 1.853 -16.415 1.00 0.00 C ATOM 205 CD GLU A 12 100.254 2.686 -17.545 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.555 3.640 -17.242 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.496 2.356 -18.693 1.00 0.00 O ATOM 0 H GLU A 12 103.109 3.658 -13.507 1.00 0.00 H new ATOM 0 HA GLU A 12 101.288 1.239 -13.770 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.565 3.392 -14.923 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.126 3.469 -15.717 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.682 1.242 -16.801 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.120 1.169 -16.009 1.00 0.00 H new ATOM 214 N VAL A 13 103.018 -0.097 -14.976 1.00 0.00 N ATOM 215 CA VAL A 13 104.137 -0.918 -15.529 1.00 0.00 C ATOM 216 C VAL A 13 103.643 -1.722 -16.733 1.00 0.00 C ATOM 217 O VAL A 13 102.522 -2.199 -16.745 1.00 0.00 O ATOM 218 CB VAL A 13 104.565 -1.847 -14.377 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.446 -2.840 -14.034 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.811 -2.629 -14.792 1.00 0.00 C ATOM 0 H VAL A 13 102.133 -0.591 -14.866 1.00 0.00 H new ATOM 0 HA VAL A 13 104.972 -0.309 -15.877 1.00 0.00 H new ATOM 0 HB VAL A 13 104.776 -1.235 -13.500 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.770 -3.486 -13.218 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.554 -2.292 -13.731 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.218 -3.448 -14.909 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.115 -3.287 -13.978 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.588 -3.225 -15.677 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.619 -1.933 -15.017 1.00 0.00 H new ATOM 230 N LEU A 14 104.463 -1.874 -17.742 1.00 0.00 N ATOM 231 CA LEU A 14 104.105 -2.835 -18.831 1.00 0.00 C ATOM 232 C LEU A 14 104.778 -4.174 -18.567 1.00 0.00 C ATOM 233 O LEU A 14 105.941 -4.233 -18.210 1.00 0.00 O ATOM 234 CB LEU A 14 104.617 -2.264 -20.162 1.00 0.00 C ATOM 235 CG LEU A 14 104.219 -0.787 -20.392 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.070 -0.559 -21.899 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.896 -0.430 -19.695 1.00 0.00 C ATOM 0 H LEU A 14 105.350 -1.384 -17.859 1.00 0.00 H new ATOM 0 HA LEU A 14 103.025 -2.978 -18.868 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.703 -2.348 -20.191 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.229 -2.869 -20.981 1.00 0.00 H new ATOM 0 HG LEU A 14 104.996 -0.151 -19.968 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.789 0.478 -22.084 1.00 0.00 H new ATOM 0 HD12 LEU A 14 105.017 -0.772 -22.395 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.298 -1.220 -22.292 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.656 0.616 -19.884 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.098 -1.061 -20.085 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.995 -0.592 -18.622 1.00 0.00 H new ATOM 249 N LEU A 15 104.056 -5.246 -18.739 1.00 0.00 N ATOM 250 CA LEU A 15 104.671 -6.593 -18.554 1.00 0.00 C ATOM 251 C LEU A 15 105.390 -7.024 -19.836 1.00 0.00 C ATOM 252 O LEU A 15 105.354 -6.337 -20.839 1.00 0.00 O ATOM 253 CB LEU A 15 103.508 -7.540 -18.238 1.00 0.00 C ATOM 254 CG LEU A 15 102.854 -7.138 -16.913 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.547 -7.912 -16.733 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.801 -7.465 -15.755 1.00 0.00 C ATOM 0 H LEU A 15 103.070 -5.250 -18.999 1.00 0.00 H new ATOM 0 HA LEU A 15 105.413 -6.597 -17.756 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.772 -7.507 -19.041 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.869 -8.567 -18.179 1.00 0.00 H new ATOM 0 HG LEU A 15 102.646 -6.068 -16.922 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.082 -7.626 -15.790 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.871 -7.681 -17.556 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.756 -8.982 -16.725 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.335 -7.179 -14.812 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.010 -8.535 -15.747 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.733 -6.915 -15.881 1.00 0.00 H new ATOM 268 N ASN A 16 106.042 -8.162 -19.803 1.00 0.00 N ATOM 269 CA ASN A 16 106.845 -8.635 -20.987 1.00 0.00 C ATOM 270 C ASN A 16 105.978 -8.728 -22.254 1.00 0.00 C ATOM 271 O ASN A 16 106.486 -8.687 -23.360 1.00 0.00 O ATOM 272 CB ASN A 16 107.381 -10.023 -20.595 1.00 0.00 C ATOM 273 CG ASN A 16 106.221 -10.973 -20.267 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.374 -11.227 -21.101 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.147 -11.509 -19.080 1.00 0.00 N ATOM 0 H ASN A 16 106.055 -8.792 -19.001 1.00 0.00 H new ATOM 0 HA ASN A 16 107.650 -7.938 -21.220 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.976 -10.434 -21.411 1.00 0.00 H new ATOM 0 HB3 ASN A 16 108.041 -9.934 -19.732 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.379 -12.141 -18.853 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.857 -11.297 -18.379 1.00 0.00 H new ATOM 282 N ASN A 17 104.683 -8.852 -22.099 1.00 0.00 N ATOM 283 CA ASN A 17 103.792 -9.019 -23.289 1.00 0.00 C ATOM 284 C ASN A 17 103.115 -7.688 -23.663 1.00 0.00 C ATOM 285 O ASN A 17 102.053 -7.682 -24.257 1.00 0.00 O ATOM 286 CB ASN A 17 102.751 -10.072 -22.869 1.00 0.00 C ATOM 287 CG ASN A 17 101.907 -9.571 -21.684 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.293 -8.654 -20.985 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.763 -10.146 -21.431 1.00 0.00 N ATOM 0 H ASN A 17 104.204 -8.845 -21.199 1.00 0.00 H new ATOM 0 HA ASN A 17 104.349 -9.332 -24.172 1.00 0.00 H new ATOM 0 HB2 ASN A 17 102.100 -10.301 -23.713 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.256 -10.998 -22.595 1.00 0.00 H new ATOM 0 HD21 ASN A 17 100.194 -9.826 -20.648 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.438 -10.915 -22.017 1.00 0.00 H new ATOM 296 N ASP A 18 103.717 -6.560 -23.319 1.00 0.00 N ATOM 297 CA ASP A 18 103.163 -5.224 -23.731 1.00 0.00 C ATOM 298 C ASP A 18 101.729 -5.047 -23.213 1.00 0.00 C ATOM 299 O ASP A 18 100.945 -4.311 -23.784 1.00 0.00 O ATOM 300 CB ASP A 18 103.192 -5.199 -25.268 1.00 0.00 C ATOM 301 CG ASP A 18 104.639 -5.288 -25.760 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.486 -4.634 -25.173 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.876 -6.008 -26.715 1.00 0.00 O ATOM 0 H ASP A 18 104.573 -6.513 -22.767 1.00 0.00 H new ATOM 0 HA ASP A 18 103.753 -4.408 -23.313 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.611 -6.031 -25.666 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.729 -4.283 -25.635 1.00 0.00 H new ATOM 308 N SER A 19 101.381 -5.721 -22.138 1.00 0.00 N ATOM 309 CA SER A 19 100.089 -5.427 -21.451 1.00 0.00 C ATOM 310 C SER A 19 100.342 -4.420 -20.332 1.00 0.00 C ATOM 311 O SER A 19 101.267 -4.571 -19.554 1.00 0.00 O ATOM 312 CB SER A 19 99.619 -6.768 -20.883 1.00 0.00 C ATOM 313 OG SER A 19 100.457 -7.143 -19.796 1.00 0.00 O ATOM 0 H SER A 19 101.939 -6.460 -21.711 1.00 0.00 H new ATOM 0 HA SER A 19 99.340 -4.999 -22.117 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.584 -6.691 -20.549 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.647 -7.533 -21.659 1.00 0.00 H new ATOM 0 HG SER A 19 101.029 -7.891 -20.067 1.00 0.00 H new ATOM 319 N LYS A 20 99.533 -3.396 -20.241 1.00 0.00 N ATOM 320 CA LYS A 20 99.842 -2.280 -19.295 1.00 0.00 C ATOM 321 C LYS A 20 98.858 -2.284 -18.122 1.00 0.00 C ATOM 322 O LYS A 20 97.665 -2.445 -18.301 1.00 0.00 O ATOM 323 CB LYS A 20 99.680 -0.981 -20.108 1.00 0.00 C ATOM 324 CG LYS A 20 100.328 -1.111 -21.495 1.00 0.00 C ATOM 325 CD LYS A 20 100.370 0.261 -22.171 1.00 0.00 C ATOM 326 CE LYS A 20 100.897 0.112 -23.601 1.00 0.00 C ATOM 327 NZ LYS A 20 99.704 -0.247 -24.415 1.00 0.00 N ATOM 0 H LYS A 20 98.674 -3.284 -20.779 1.00 0.00 H new ATOM 0 HA LYS A 20 100.845 -2.379 -18.881 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.621 -0.747 -20.219 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.135 -0.151 -19.567 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.337 -1.512 -21.400 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.762 -1.813 -22.108 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.373 0.702 -22.184 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.011 0.937 -21.605 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.351 1.038 -23.953 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.663 -0.661 -23.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.987 -0.892 -25.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.999 -0.715 -23.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.291 0.615 -24.824 1.00 0.00 H new ATOM 341 N ALA A 21 99.359 -2.106 -16.923 1.00 0.00 N ATOM 342 CA ALA A 21 98.465 -1.996 -15.730 1.00 0.00 C ATOM 343 C ALA A 21 99.022 -0.951 -14.758 1.00 0.00 C ATOM 344 O ALA A 21 100.214 -0.707 -14.720 1.00 0.00 O ATOM 345 CB ALA A 21 98.482 -3.386 -15.092 1.00 0.00 C ATOM 0 H ALA A 21 100.356 -2.032 -16.720 1.00 0.00 H new ATOM 0 HA ALA A 21 97.454 -1.684 -15.993 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.847 -3.388 -14.206 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.109 -4.119 -15.807 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.502 -3.643 -14.807 1.00 0.00 H new ATOM 351 N ARG A 22 98.169 -0.334 -13.974 1.00 0.00 N ATOM 352 CA ARG A 22 98.649 0.707 -13.010 1.00 0.00 C ATOM 353 C ARG A 22 97.858 0.638 -11.703 1.00 0.00 C ATOM 354 O ARG A 22 96.719 0.213 -11.680 1.00 0.00 O ATOM 355 CB ARG A 22 98.427 2.056 -13.715 1.00 0.00 C ATOM 356 CG ARG A 22 96.942 2.251 -14.050 1.00 0.00 C ATOM 357 CD ARG A 22 96.779 3.473 -14.959 1.00 0.00 C ATOM 358 NE ARG A 22 95.300 3.664 -15.108 1.00 0.00 N ATOM 359 CZ ARG A 22 94.796 4.417 -16.068 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.566 5.035 -16.934 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.501 4.551 -16.157 1.00 0.00 N ATOM 0 H ARG A 22 97.164 -0.506 -13.960 1.00 0.00 H new ATOM 0 HA ARG A 22 99.696 0.561 -12.746 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.771 2.868 -13.075 1.00 0.00 H new ATOM 0 HB3 ARG A 22 99.020 2.097 -14.629 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.550 1.362 -14.544 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.366 2.386 -13.134 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.247 4.354 -14.520 1.00 0.00 H new ATOM 0 HD3 ARG A 22 97.253 3.309 -15.927 1.00 0.00 H new ATOM 0 HE ARG A 22 94.669 3.202 -14.453 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.580 4.939 -16.874 1.00 0.00 H new ATOM 0 HH12 ARG A 22 95.150 5.611 -17.666 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.892 4.077 -15.490 1.00 0.00 H new ATOM 0 HH22 ARG A 22 93.098 5.130 -16.894 1.00 0.00 H new ATOM 375 N GLY A 23 98.464 1.054 -10.617 1.00 0.00 N ATOM 376 CA GLY A 23 97.758 1.031 -9.302 1.00 0.00 C ATOM 377 C GLY A 23 98.701 1.540 -8.210 1.00 0.00 C ATOM 378 O GLY A 23 99.803 1.974 -8.490 1.00 0.00 O ATOM 0 H GLY A 23 99.420 1.409 -10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.864 1.654 -9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.429 0.018 -9.071 1.00 0.00 H new ATOM 382 N VAL A 24 98.278 1.488 -6.970 1.00 0.00 N ATOM 383 CA VAL A 24 99.121 2.034 -5.859 1.00 0.00 C ATOM 384 C VAL A 24 99.926 0.900 -5.213 1.00 0.00 C ATOM 385 O VAL A 24 99.390 -0.132 -4.864 1.00 0.00 O ATOM 386 CB VAL A 24 98.128 2.648 -4.858 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.891 3.265 -3.682 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.309 3.746 -5.549 1.00 0.00 C ATOM 0 H VAL A 24 97.385 1.091 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 24 99.840 2.776 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 24 97.463 1.864 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.183 3.699 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.475 2.493 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.559 4.044 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.607 4.179 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.979 4.524 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.759 3.317 -6.386 1.00 0.00 H new ATOM 398 N ILE A 25 101.211 1.095 -5.054 1.00 0.00 N ATOM 399 CA ILE A 25 102.086 0.004 -4.507 1.00 0.00 C ATOM 400 C ILE A 25 101.769 -0.230 -3.024 1.00 0.00 C ATOM 401 O ILE A 25 101.513 0.702 -2.283 1.00 0.00 O ATOM 402 CB ILE A 25 103.531 0.512 -4.692 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.813 0.718 -6.187 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.539 -0.502 -4.129 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.117 1.502 -6.360 1.00 0.00 C ATOM 0 H ILE A 25 101.696 1.964 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 25 101.931 -0.948 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 25 103.638 1.454 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.887 -0.246 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.988 1.257 -6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.552 -0.125 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.351 -0.650 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.430 -1.452 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.316 1.647 -7.422 1.00 0.00 H new ATOM 0 HD12 ILE A 25 105.026 2.472 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.939 0.945 -5.910 1.00 0.00 H new ATOM 417 N THR A 26 101.786 -1.470 -2.593 1.00 0.00 N ATOM 418 CA THR A 26 101.530 -1.774 -1.152 1.00 0.00 C ATOM 419 C THR A 26 102.670 -2.598 -0.540 1.00 0.00 C ATOM 420 O THR A 26 103.014 -2.410 0.613 1.00 0.00 O ATOM 421 CB THR A 26 100.227 -2.574 -1.135 1.00 0.00 C ATOM 422 OG1 THR A 26 100.331 -3.669 -2.034 1.00 0.00 O ATOM 423 CG2 THR A 26 99.064 -1.674 -1.555 1.00 0.00 C ATOM 0 H THR A 26 101.967 -2.284 -3.180 1.00 0.00 H new ATOM 0 HA THR A 26 101.464 -0.860 -0.561 1.00 0.00 H new ATOM 0 HB THR A 26 100.046 -2.948 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.421 -3.333 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.137 -2.247 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.983 -0.837 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.242 -1.295 -2.561 1.00 0.00 H new ATOM 431 N ASN A 27 103.265 -3.506 -1.289 1.00 0.00 N ATOM 432 CA ASN A 27 104.265 -4.433 -0.670 1.00 0.00 C ATOM 433 C ASN A 27 105.445 -4.680 -1.613 1.00 0.00 C ATOM 434 O ASN A 27 105.307 -4.636 -2.820 1.00 0.00 O ATOM 435 CB ASN A 27 103.497 -5.732 -0.425 1.00 0.00 C ATOM 436 CG ASN A 27 104.304 -6.634 0.511 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.583 -6.269 1.634 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.693 -7.807 0.090 1.00 0.00 N ATOM 0 H ASN A 27 103.102 -3.641 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 27 104.686 -4.020 0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.523 -5.514 0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.314 -6.242 -1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.232 -8.417 0.705 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.458 -8.114 -0.854 1.00 0.00 H new ATOM 445 N PHE A 28 106.603 -4.938 -1.057 1.00 0.00 N ATOM 446 CA PHE A 28 107.786 -5.322 -1.885 1.00 0.00 C ATOM 447 C PHE A 28 108.692 -6.260 -1.085 1.00 0.00 C ATOM 448 O PHE A 28 108.996 -6.008 0.066 1.00 0.00 O ATOM 449 CB PHE A 28 108.505 -4.009 -2.191 1.00 0.00 C ATOM 450 CG PHE A 28 109.683 -4.171 -3.122 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.476 -4.599 -4.456 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.993 -3.894 -2.661 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.580 -4.750 -5.329 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.097 -4.045 -3.534 1.00 0.00 C ATOM 455 CZ PHE A 28 111.890 -4.473 -4.868 1.00 0.00 C ATOM 0 H PHE A 28 106.780 -4.898 -0.053 1.00 0.00 H new ATOM 0 HA PHE A 28 107.504 -5.846 -2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.796 -3.310 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.849 -3.566 -1.256 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.477 -4.810 -4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.150 -3.568 -1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.423 -5.076 -6.346 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.096 -3.834 -3.183 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.732 -4.588 -5.534 1.00 0.00 H new ATOM 465 N ASP A 29 109.122 -7.339 -1.690 1.00 0.00 N ATOM 466 CA ASP A 29 109.957 -8.339 -0.957 1.00 0.00 C ATOM 467 C ASP A 29 111.296 -8.523 -1.672 1.00 0.00 C ATOM 468 O ASP A 29 111.338 -8.892 -2.829 1.00 0.00 O ATOM 469 CB ASP A 29 109.145 -9.635 -0.994 1.00 0.00 C ATOM 470 CG ASP A 29 109.798 -10.678 -0.083 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.187 -10.317 1.017 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.898 -11.820 -0.501 1.00 0.00 O ATOM 0 H ASP A 29 108.930 -7.571 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 29 110.179 -8.029 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.122 -9.444 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.091 -10.013 -2.015 1.00 0.00 H new ATOM 477 N SER A 30 112.384 -8.267 -0.987 1.00 0.00 N ATOM 478 CA SER A 30 113.733 -8.411 -1.624 1.00 0.00 C ATOM 479 C SER A 30 114.072 -9.889 -1.858 1.00 0.00 C ATOM 480 O SER A 30 114.838 -10.220 -2.744 1.00 0.00 O ATOM 481 CB SER A 30 114.719 -7.790 -0.632 1.00 0.00 C ATOM 482 OG SER A 30 114.777 -8.594 0.539 1.00 0.00 O ATOM 0 H SER A 30 112.397 -7.964 -0.013 1.00 0.00 H new ATOM 0 HA SER A 30 113.770 -7.923 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.708 -7.714 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.406 -6.777 -0.377 1.00 0.00 H new ATOM 0 HG SER A 30 115.409 -8.200 1.176 1.00 0.00 H new ATOM 488 N SER A 31 113.506 -10.779 -1.073 1.00 0.00 N ATOM 489 CA SER A 31 113.844 -12.237 -1.207 1.00 0.00 C ATOM 490 C SER A 31 113.463 -12.758 -2.598 1.00 0.00 C ATOM 491 O SER A 31 114.259 -13.393 -3.267 1.00 0.00 O ATOM 492 CB SER A 31 113.019 -12.946 -0.130 1.00 0.00 C ATOM 493 OG SER A 31 113.426 -14.306 -0.049 1.00 0.00 O ATOM 0 H SER A 31 112.825 -10.560 -0.346 1.00 0.00 H new ATOM 0 HA SER A 31 114.913 -12.414 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.157 -12.455 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 31 111.957 -12.885 -0.369 1.00 0.00 H new ATOM 0 HG SER A 31 112.902 -14.764 0.641 1.00 0.00 H new ATOM 499 N ASN A 32 112.255 -12.494 -3.035 1.00 0.00 N ATOM 500 CA ASN A 32 111.815 -12.970 -4.385 1.00 0.00 C ATOM 501 C ASN A 32 111.328 -11.802 -5.259 1.00 0.00 C ATOM 502 O ASN A 32 110.755 -12.013 -6.312 1.00 0.00 O ATOM 503 CB ASN A 32 110.665 -13.937 -4.102 1.00 0.00 C ATOM 504 CG ASN A 32 110.357 -14.747 -5.362 1.00 0.00 C ATOM 505 OD1 ASN A 32 109.345 -14.539 -6.001 1.00 0.00 O ATOM 506 ND2 ASN A 32 111.193 -15.672 -5.750 1.00 0.00 N ATOM 0 H ASN A 32 111.553 -11.968 -2.514 1.00 0.00 H new ATOM 0 HA ASN A 32 112.633 -13.439 -4.932 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.931 -14.606 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.780 -13.384 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.996 -16.218 -6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 32 112.043 -15.848 -5.215 1.00 0.00 H new ATOM 513 N SER A 33 111.553 -10.569 -4.835 1.00 0.00 N ATOM 514 CA SER A 33 111.105 -9.373 -5.632 1.00 0.00 C ATOM 515 C SER A 33 109.618 -9.483 -6.011 1.00 0.00 C ATOM 516 O SER A 33 109.268 -9.623 -7.170 1.00 0.00 O ATOM 517 CB SER A 33 111.991 -9.362 -6.884 1.00 0.00 C ATOM 518 OG SER A 33 113.347 -9.564 -6.503 1.00 0.00 O ATOM 0 H SER A 33 112.032 -10.342 -3.963 1.00 0.00 H new ATOM 0 HA SER A 33 111.203 -8.451 -5.059 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.675 -10.144 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.886 -8.413 -7.409 1.00 0.00 H new ATOM 0 HG SER A 33 113.915 -9.559 -7.301 1.00 0.00 H new ATOM 524 N ILE A 34 108.744 -9.422 -5.034 1.00 0.00 N ATOM 525 CA ILE A 34 107.277 -9.528 -5.320 1.00 0.00 C ATOM 526 C ILE A 34 106.581 -8.213 -4.945 1.00 0.00 C ATOM 527 O ILE A 34 106.785 -7.681 -3.872 1.00 0.00 O ATOM 528 CB ILE A 34 106.763 -10.687 -4.447 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.583 -11.971 -4.706 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.285 -10.952 -4.759 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.485 -12.415 -6.178 1.00 0.00 C ATOM 0 H ILE A 34 108.984 -9.303 -4.050 1.00 0.00 H new ATOM 0 HA ILE A 34 107.075 -9.712 -6.375 1.00 0.00 H new ATOM 0 HB ILE A 34 106.874 -10.407 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.627 -11.796 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.223 -12.771 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.924 -11.773 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.702 -10.055 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.177 -11.216 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.073 -13.321 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.443 -12.614 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.869 -11.624 -6.823 1.00 0.00 H new ATOM 543 N LEU A 35 105.762 -7.695 -5.828 1.00 0.00 N ATOM 544 CA LEU A 35 105.141 -6.352 -5.598 1.00 0.00 C ATOM 545 C LEU A 35 103.615 -6.462 -5.629 1.00 0.00 C ATOM 546 O LEU A 35 103.039 -6.925 -6.597 1.00 0.00 O ATOM 547 CB LEU A 35 105.642 -5.497 -6.763 1.00 0.00 C ATOM 548 CG LEU A 35 105.217 -4.038 -6.562 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.259 -3.311 -5.709 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.106 -3.350 -7.926 1.00 0.00 C ATOM 0 H LEU A 35 105.495 -8.147 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 35 105.405 -5.928 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.728 -5.562 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.239 -5.876 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 35 104.252 -4.008 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.954 -2.274 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.341 -3.801 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.225 -3.340 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.804 -2.312 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.072 -3.382 -8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.363 -3.866 -8.534 1.00 0.00 H new ATOM 562 N GLN A 36 102.964 -6.037 -4.576 1.00 0.00 N ATOM 563 CA GLN A 36 101.473 -6.002 -4.575 1.00 0.00 C ATOM 564 C GLN A 36 100.988 -4.596 -4.928 1.00 0.00 C ATOM 565 O GLN A 36 101.403 -3.622 -4.326 1.00 0.00 O ATOM 566 CB GLN A 36 101.063 -6.370 -3.149 1.00 0.00 C ATOM 567 CG GLN A 36 101.281 -7.867 -2.924 1.00 0.00 C ATOM 568 CD GLN A 36 100.869 -8.234 -1.497 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.364 -7.666 -0.545 1.00 0.00 O ATOM 570 NE2 GLN A 36 99.976 -9.167 -1.309 1.00 0.00 N ATOM 0 H GLN A 36 103.404 -5.712 -3.715 1.00 0.00 H new ATOM 0 HA GLN A 36 101.041 -6.685 -5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.648 -5.795 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.016 -6.115 -2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.697 -8.442 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.328 -8.122 -3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 36 99.560 -9.644 -2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.694 -9.419 -0.362 1.00 0.00 H new ATOM 579 N LEU A 37 100.116 -4.488 -5.901 1.00 0.00 N ATOM 580 CA LEU A 37 99.565 -3.153 -6.280 1.00 0.00 C ATOM 581 C LEU A 37 98.086 -3.071 -5.899 1.00 0.00 C ATOM 582 O LEU A 37 97.273 -3.847 -6.368 1.00 0.00 O ATOM 583 CB LEU A 37 99.728 -3.062 -7.800 1.00 0.00 C ATOM 584 CG LEU A 37 101.215 -3.027 -8.165 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.379 -3.323 -9.658 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.786 -1.639 -7.857 1.00 0.00 C ATOM 0 H LEU A 37 99.762 -5.271 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 37 100.078 -2.338 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.248 -3.916 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.232 -2.167 -8.175 1.00 0.00 H new ATOM 0 HG LEU A 37 101.749 -3.777 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.437 -3.299 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.973 -4.310 -9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.844 -2.572 -10.239 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.844 -1.615 -8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.252 -0.888 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.668 -1.425 -6.795 1.00 0.00 H new ATOM 598 N ARG A 38 97.735 -2.136 -5.053 1.00 0.00 N ATOM 599 CA ARG A 38 96.299 -1.951 -4.681 1.00 0.00 C ATOM 600 C ARG A 38 95.688 -0.822 -5.515 1.00 0.00 C ATOM 601 O ARG A 38 96.188 0.287 -5.532 1.00 0.00 O ATOM 602 CB ARG A 38 96.312 -1.587 -3.194 1.00 0.00 C ATOM 603 CG ARG A 38 94.875 -1.527 -2.655 1.00 0.00 C ATOM 604 CD ARG A 38 94.361 -0.081 -2.689 1.00 0.00 C ATOM 605 NE ARG A 38 94.734 0.505 -1.360 1.00 0.00 N ATOM 606 CZ ARG A 38 94.742 1.809 -1.162 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.419 2.654 -2.114 1.00 0.00 N ATOM 608 NH2 ARG A 38 95.075 2.272 0.012 1.00 0.00 N ATOM 0 H ARG A 38 98.383 -1.490 -4.602 1.00 0.00 H new ATOM 0 HA ARG A 38 95.702 -2.843 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.888 -2.325 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.803 -0.625 -3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.226 -2.166 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.844 -1.909 -1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 38 94.815 0.478 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 38 93.282 -0.051 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 38 94.987 -0.118 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.153 2.307 -3.035 1.00 0.00 H new ATOM 0 HH12 ARG A 38 94.434 3.658 -1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 38 95.325 1.628 0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 38 95.086 3.278 0.179 1.00 0.00 H new ATOM 622 N LEU A 39 94.611 -1.102 -6.206 1.00 0.00 N ATOM 623 CA LEU A 39 94.038 -0.102 -7.156 1.00 0.00 C ATOM 624 C LEU A 39 92.814 0.592 -6.545 1.00 0.00 C ATOM 625 O LEU A 39 92.091 0.013 -5.752 1.00 0.00 O ATOM 626 CB LEU A 39 93.651 -0.920 -8.393 1.00 0.00 C ATOM 627 CG LEU A 39 93.312 0.005 -9.573 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.513 0.890 -9.918 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.976 -0.854 -10.790 1.00 0.00 C ATOM 0 H LEU A 39 94.103 -1.985 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 39 94.744 0.693 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.472 -1.582 -8.668 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.794 -1.553 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 39 92.467 0.636 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.258 1.539 -10.755 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.776 1.499 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.361 0.262 -10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.733 -0.209 -11.635 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.834 -1.477 -11.044 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.121 -1.490 -10.562 1.00 0.00 H new ATOM 641 N ALA A 40 92.583 1.829 -6.922 1.00 0.00 N ATOM 642 CA ALA A 40 91.490 2.641 -6.286 1.00 0.00 C ATOM 643 C ALA A 40 90.100 2.040 -6.555 1.00 0.00 C ATOM 644 O ALA A 40 89.120 2.475 -5.977 1.00 0.00 O ATOM 645 CB ALA A 40 91.597 4.029 -6.921 1.00 0.00 C ATOM 0 H ALA A 40 93.108 2.316 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 40 91.604 2.667 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.828 4.680 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.581 4.450 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.459 3.948 -7.999 1.00 0.00 H new ATOM 651 N ASN A 41 89.998 1.055 -7.419 1.00 0.00 N ATOM 652 CA ASN A 41 88.684 0.370 -7.640 1.00 0.00 C ATOM 653 C ASN A 41 88.471 -0.760 -6.613 1.00 0.00 C ATOM 654 O ASN A 41 87.831 -1.751 -6.912 1.00 0.00 O ATOM 655 CB ASN A 41 88.772 -0.211 -9.055 1.00 0.00 C ATOM 656 CG ASN A 41 88.837 0.926 -10.077 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.201 1.948 -9.910 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.585 0.791 -11.139 1.00 0.00 N ATOM 0 H ASN A 41 90.770 0.696 -7.981 1.00 0.00 H new ATOM 0 HA ASN A 41 87.847 1.058 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.655 -0.844 -9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.906 -0.842 -9.254 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.635 1.543 -11.827 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.119 -0.066 -11.281 1.00 0.00 H new ATOM 665 N ASP A 42 89.003 -0.628 -5.404 1.00 0.00 N ATOM 666 CA ASP A 42 88.787 -1.664 -4.334 1.00 0.00 C ATOM 667 C ASP A 42 89.281 -3.037 -4.813 1.00 0.00 C ATOM 668 O ASP A 42 88.765 -4.061 -4.403 1.00 0.00 O ATOM 669 CB ASP A 42 87.274 -1.697 -4.066 1.00 0.00 C ATOM 670 CG ASP A 42 86.815 -0.341 -3.522 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.526 0.220 -2.704 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.760 0.114 -3.934 1.00 0.00 O ATOM 0 H ASP A 42 89.581 0.162 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 42 89.342 -1.421 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.737 -1.931 -4.985 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.039 -2.485 -3.350 1.00 0.00 H new ATOM 677 N SER A 43 90.275 -3.064 -5.678 1.00 0.00 N ATOM 678 CA SER A 43 90.833 -4.371 -6.142 1.00 0.00 C ATOM 679 C SER A 43 92.327 -4.449 -5.818 1.00 0.00 C ATOM 680 O SER A 43 93.045 -3.473 -5.935 1.00 0.00 O ATOM 681 CB SER A 43 90.610 -4.383 -7.654 1.00 0.00 C ATOM 682 OG SER A 43 89.215 -4.316 -7.923 1.00 0.00 O ATOM 0 H SER A 43 90.719 -2.237 -6.078 1.00 0.00 H new ATOM 0 HA SER A 43 90.356 -5.222 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.122 -3.539 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.033 -5.289 -8.089 1.00 0.00 H new ATOM 0 HG SER A 43 88.885 -3.417 -7.716 1.00 0.00 H new ATOM 688 N THR A 44 92.797 -5.603 -5.412 1.00 0.00 N ATOM 689 CA THR A 44 94.248 -5.761 -5.080 1.00 0.00 C ATOM 690 C THR A 44 94.831 -6.970 -5.820 1.00 0.00 C ATOM 691 O THR A 44 94.174 -7.984 -5.979 1.00 0.00 O ATOM 692 CB THR A 44 94.299 -5.965 -3.557 1.00 0.00 C ATOM 693 OG1 THR A 44 95.651 -6.128 -3.152 1.00 0.00 O ATOM 694 CG2 THR A 44 93.493 -7.207 -3.150 1.00 0.00 C ATOM 0 H THR A 44 92.235 -6.447 -5.296 1.00 0.00 H new ATOM 0 HA THR A 44 94.837 -4.896 -5.383 1.00 0.00 H new ATOM 0 HB THR A 44 93.864 -5.092 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.688 -6.257 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.542 -7.334 -2.069 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.454 -7.082 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.911 -8.088 -3.638 1.00 0.00 H new ATOM 702 N LYS A 45 96.057 -6.868 -6.270 1.00 0.00 N ATOM 703 CA LYS A 45 96.681 -7.993 -7.030 1.00 0.00 C ATOM 704 C LYS A 45 98.171 -8.099 -6.695 1.00 0.00 C ATOM 705 O LYS A 45 98.867 -7.104 -6.607 1.00 0.00 O ATOM 706 CB LYS A 45 96.486 -7.630 -8.504 1.00 0.00 C ATOM 707 CG LYS A 45 96.889 -8.816 -9.382 1.00 0.00 C ATOM 708 CD LYS A 45 96.755 -8.428 -10.856 1.00 0.00 C ATOM 709 CE LYS A 45 97.009 -9.657 -11.732 1.00 0.00 C ATOM 710 NZ LYS A 45 96.247 -9.399 -12.986 1.00 0.00 N ATOM 0 H LYS A 45 96.654 -6.051 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 45 96.233 -8.956 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.445 -7.365 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.087 -6.757 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.916 -9.111 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.257 -9.676 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.759 -8.030 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.466 -7.640 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 45 98.072 -9.784 -11.935 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.667 -10.569 -11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 96.372 -10.199 -13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 95.237 -9.289 -12.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 96.599 -8.529 -13.434 1.00 0.00 H new ATOM 724 N SER A 46 98.661 -9.302 -6.508 1.00 0.00 N ATOM 725 CA SER A 46 100.117 -9.493 -6.235 1.00 0.00 C ATOM 726 C SER A 46 100.840 -9.903 -7.519 1.00 0.00 C ATOM 727 O SER A 46 100.501 -10.894 -8.139 1.00 0.00 O ATOM 728 CB SER A 46 100.183 -10.614 -5.199 1.00 0.00 C ATOM 729 OG SER A 46 99.740 -11.827 -5.792 1.00 0.00 O ATOM 0 H SER A 46 98.111 -10.161 -6.533 1.00 0.00 H new ATOM 0 HA SER A 46 100.596 -8.582 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.203 -10.726 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.560 -10.367 -4.339 1.00 0.00 H new ATOM 0 HG SER A 46 99.983 -11.835 -6.741 1.00 0.00 H new ATOM 735 N ILE A 47 101.833 -9.146 -7.921 1.00 0.00 N ATOM 736 CA ILE A 47 102.568 -9.466 -9.184 1.00 0.00 C ATOM 737 C ILE A 47 104.073 -9.506 -8.903 1.00 0.00 C ATOM 738 O ILE A 47 104.608 -8.638 -8.235 1.00 0.00 O ATOM 739 CB ILE A 47 102.220 -8.328 -10.159 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.703 -8.279 -10.384 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.915 -8.568 -11.505 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.333 -6.981 -11.108 1.00 0.00 C ATOM 0 H ILE A 47 102.166 -8.318 -7.427 1.00 0.00 H new ATOM 0 HA ILE A 47 102.291 -10.436 -9.596 1.00 0.00 H new ATOM 0 HB ILE A 47 102.558 -7.384 -9.732 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.384 -9.139 -10.973 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.181 -8.336 -9.429 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.666 -7.760 -12.192 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.994 -8.598 -11.357 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.579 -9.517 -11.924 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.255 -6.948 -11.267 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.637 -6.127 -10.502 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.843 -6.943 -12.070 1.00 0.00 H new ATOM 754 N VAL A 48 104.756 -10.503 -9.407 1.00 0.00 N ATOM 755 CA VAL A 48 106.235 -10.586 -9.192 1.00 0.00 C ATOM 756 C VAL A 48 106.942 -9.629 -10.157 1.00 0.00 C ATOM 757 O VAL A 48 106.611 -9.557 -11.323 1.00 0.00 O ATOM 758 CB VAL A 48 106.629 -12.046 -9.480 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.118 -12.252 -9.167 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.780 -13.008 -8.625 1.00 0.00 C ATOM 0 H VAL A 48 104.355 -11.262 -9.957 1.00 0.00 H new ATOM 0 HA VAL A 48 106.520 -10.303 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 48 106.447 -12.258 -10.534 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.393 -13.287 -9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.716 -11.587 -9.790 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.303 -12.029 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.069 -14.037 -8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.944 -12.797 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.725 -12.871 -8.862 1.00 0.00 H new ATOM 770 N THR A 49 107.912 -8.895 -9.673 1.00 0.00 N ATOM 771 CA THR A 49 108.545 -7.818 -10.507 1.00 0.00 C ATOM 772 C THR A 49 109.248 -8.405 -11.737 1.00 0.00 C ATOM 773 O THR A 49 109.426 -7.728 -12.732 1.00 0.00 O ATOM 774 CB THR A 49 109.562 -7.111 -9.599 1.00 0.00 C ATOM 775 OG1 THR A 49 110.586 -8.026 -9.229 1.00 0.00 O ATOM 776 CG2 THR A 49 108.867 -6.575 -8.342 1.00 0.00 C ATOM 0 H THR A 49 108.297 -8.993 -8.733 1.00 0.00 H new ATOM 0 HA THR A 49 107.789 -7.127 -10.879 1.00 0.00 H new ATOM 0 HB THR A 49 110.001 -6.274 -10.142 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.210 -8.721 -8.650 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.599 -6.076 -7.706 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.092 -5.865 -8.630 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.416 -7.403 -7.795 1.00 0.00 H new ATOM 784 N LYS A 50 109.650 -9.652 -11.679 1.00 0.00 N ATOM 785 CA LYS A 50 110.438 -10.247 -12.813 1.00 0.00 C ATOM 786 C LYS A 50 109.649 -10.166 -14.126 1.00 0.00 C ATOM 787 O LYS A 50 110.227 -10.156 -15.198 1.00 0.00 O ATOM 788 CB LYS A 50 110.685 -11.715 -12.429 1.00 0.00 C ATOM 789 CG LYS A 50 111.547 -11.804 -11.161 1.00 0.00 C ATOM 790 CD LYS A 50 111.642 -13.263 -10.712 1.00 0.00 C ATOM 791 CE LYS A 50 112.394 -13.340 -9.381 1.00 0.00 C ATOM 792 NZ LYS A 50 113.836 -13.270 -9.750 1.00 0.00 N ATOM 0 H LYS A 50 109.469 -10.284 -10.900 1.00 0.00 H new ATOM 0 HA LYS A 50 111.372 -9.708 -12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.733 -12.219 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.181 -12.233 -13.250 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.543 -11.407 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.111 -11.196 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 50 110.644 -13.687 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.158 -13.854 -11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.115 -12.518 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 50 112.166 -14.265 -8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.291 -14.183 -9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.925 -13.055 -10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.300 -12.523 -9.195 1.00 0.00 H new ATOM 806 N ASP A 51 108.341 -10.108 -14.053 1.00 0.00 N ATOM 807 CA ASP A 51 107.531 -9.934 -15.302 1.00 0.00 C ATOM 808 C ASP A 51 107.344 -8.445 -15.648 1.00 0.00 C ATOM 809 O ASP A 51 106.564 -8.109 -16.520 1.00 0.00 O ATOM 810 CB ASP A 51 106.178 -10.618 -15.030 1.00 0.00 C ATOM 811 CG ASP A 51 105.466 -9.985 -13.825 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.336 -8.773 -13.800 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.060 -10.731 -12.949 1.00 0.00 O ATOM 0 H ASP A 51 107.802 -10.173 -13.190 1.00 0.00 H new ATOM 0 HA ASP A 51 108.033 -10.379 -16.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.544 -10.539 -15.913 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.336 -11.681 -14.845 1.00 0.00 H new ATOM 818 N ILE A 52 108.048 -7.551 -14.978 1.00 0.00 N ATOM 819 CA ILE A 52 107.989 -6.104 -15.373 1.00 0.00 C ATOM 820 C ILE A 52 108.873 -5.864 -16.602 1.00 0.00 C ATOM 821 O ILE A 52 110.083 -5.975 -16.537 1.00 0.00 O ATOM 822 CB ILE A 52 108.521 -5.317 -14.159 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.571 -5.515 -12.966 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.624 -3.816 -14.505 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.139 -4.818 -11.722 1.00 0.00 C ATOM 0 H ILE A 52 108.653 -7.761 -14.184 1.00 0.00 H new ATOM 0 HA ILE A 52 106.978 -5.792 -15.635 1.00 0.00 H new ATOM 0 HB ILE A 52 109.513 -5.686 -13.898 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.587 -5.110 -13.203 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.439 -6.579 -12.768 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.001 -3.268 -13.641 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.306 -3.682 -15.345 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.638 -3.436 -14.774 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.460 -4.963 -10.882 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.113 -5.243 -11.479 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.248 -3.752 -11.920 1.00 0.00 H new ATOM 837 N LYS A 53 108.269 -5.539 -17.718 1.00 0.00 N ATOM 838 CA LYS A 53 109.069 -5.108 -18.907 1.00 0.00 C ATOM 839 C LYS A 53 109.439 -3.629 -18.785 1.00 0.00 C ATOM 840 O LYS A 53 110.539 -3.230 -19.119 1.00 0.00 O ATOM 841 CB LYS A 53 108.161 -5.330 -20.116 1.00 0.00 C ATOM 842 CG LYS A 53 108.953 -5.101 -21.406 1.00 0.00 C ATOM 843 CD LYS A 53 108.025 -5.265 -22.612 1.00 0.00 C ATOM 844 CE LYS A 53 108.846 -5.207 -23.901 1.00 0.00 C ATOM 845 NZ LYS A 53 109.371 -6.588 -24.084 1.00 0.00 N ATOM 0 H LYS A 53 107.259 -5.553 -17.858 1.00 0.00 H new ATOM 0 HA LYS A 53 110.000 -5.668 -18.994 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.759 -6.343 -20.100 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.311 -4.649 -20.074 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.391 -4.103 -21.404 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.778 -5.811 -21.469 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.494 -6.215 -22.549 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.271 -4.478 -22.613 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.231 -4.903 -24.748 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.657 -4.483 -23.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 110.335 -6.544 -24.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 109.389 -7.077 -23.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 108.757 -7.109 -24.742 1.00 0.00 H new ATOM 859 N ASP A 54 108.528 -2.816 -18.305 1.00 0.00 N ATOM 860 CA ASP A 54 108.777 -1.335 -18.286 1.00 0.00 C ATOM 861 C ASP A 54 107.999 -0.665 -17.150 1.00 0.00 C ATOM 862 O ASP A 54 106.900 -1.067 -16.824 1.00 0.00 O ATOM 863 CB ASP A 54 108.281 -0.821 -19.639 1.00 0.00 C ATOM 864 CG ASP A 54 109.221 -1.296 -20.749 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.421 -1.151 -20.584 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.725 -1.794 -21.746 1.00 0.00 O ATOM 0 H ASP A 54 107.627 -3.109 -17.927 1.00 0.00 H new ATOM 0 HA ASP A 54 109.831 -1.111 -18.122 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.270 -1.182 -19.827 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.235 0.268 -19.630 1.00 0.00 H new ATOM 871 N LEU A 55 108.566 0.358 -16.553 1.00 0.00 N ATOM 872 CA LEU A 55 107.904 1.021 -15.387 1.00 0.00 C ATOM 873 C LEU A 55 107.749 2.527 -15.633 1.00 0.00 C ATOM 874 O LEU A 55 108.599 3.157 -16.235 1.00 0.00 O ATOM 875 CB LEU A 55 108.847 0.785 -14.206 1.00 0.00 C ATOM 876 CG LEU A 55 108.740 -0.666 -13.736 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.047 -1.083 -13.059 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.589 -0.795 -12.734 1.00 0.00 C ATOM 0 H LEU A 55 109.462 0.762 -16.826 1.00 0.00 H new ATOM 0 HA LEU A 55 106.905 0.620 -15.212 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.873 1.007 -14.499 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.596 1.461 -13.388 1.00 0.00 H new ATOM 0 HG LEU A 55 108.552 -1.310 -14.595 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.970 -2.117 -12.724 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.869 -0.992 -13.768 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.235 -0.437 -12.201 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.513 -1.829 -12.399 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.779 -0.149 -11.877 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.655 -0.499 -13.212 1.00 0.00 H new ATOM 890 N ARG A 56 106.667 3.104 -15.167 1.00 0.00 N ATOM 891 CA ARG A 56 106.523 4.592 -15.193 1.00 0.00 C ATOM 892 C ARG A 56 105.697 5.057 -13.983 1.00 0.00 C ATOM 893 O ARG A 56 104.960 4.286 -13.398 1.00 0.00 O ATOM 894 CB ARG A 56 105.811 4.910 -16.522 1.00 0.00 C ATOM 895 CG ARG A 56 104.339 4.462 -16.473 1.00 0.00 C ATOM 896 CD ARG A 56 103.877 4.022 -17.867 1.00 0.00 C ATOM 897 NE ARG A 56 103.968 5.247 -18.728 1.00 0.00 N ATOM 898 CZ ARG A 56 103.964 5.164 -20.045 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.874 4.008 -20.663 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.048 6.257 -20.751 1.00 0.00 N ATOM 0 H ARG A 56 105.873 2.603 -14.767 1.00 0.00 H new ATOM 0 HA ARG A 56 107.481 5.108 -15.132 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.864 5.980 -16.721 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.322 4.407 -17.343 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.224 3.640 -15.767 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.713 5.280 -16.115 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.508 3.223 -18.255 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.857 3.638 -17.839 1.00 0.00 H new ATOM 0 HE ARG A 56 104.034 6.164 -18.286 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.805 3.145 -20.123 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.873 3.973 -21.682 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.116 7.162 -20.284 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.046 6.207 -21.770 1.00 0.00 H new ATOM 914 N ILE A 57 105.819 6.307 -13.610 1.00 0.00 N ATOM 915 CA ILE A 57 104.993 6.843 -12.482 1.00 0.00 C ATOM 916 C ILE A 57 104.002 7.880 -13.024 1.00 0.00 C ATOM 917 O ILE A 57 104.375 8.786 -13.745 1.00 0.00 O ATOM 918 CB ILE A 57 105.993 7.490 -11.507 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.999 6.436 -11.022 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.238 8.058 -10.299 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.138 7.118 -10.260 1.00 0.00 C ATOM 0 H ILE A 57 106.455 6.980 -14.038 1.00 0.00 H new ATOM 0 HA ILE A 57 104.410 6.067 -11.985 1.00 0.00 H new ATOM 0 HB ILE A 57 106.524 8.293 -12.019 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.500 5.713 -10.377 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.398 5.883 -11.872 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.947 8.516 -9.609 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.524 8.809 -10.637 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.706 7.253 -9.791 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.849 6.366 -9.918 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.645 7.824 -10.918 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.732 7.651 -9.400 1.00 0.00 H new ATOM 933 N LEU A 58 102.743 7.748 -12.678 1.00 0.00 N ATOM 934 CA LEU A 58 101.705 8.669 -13.240 1.00 0.00 C ATOM 935 C LEU A 58 101.457 9.839 -12.274 1.00 0.00 C ATOM 936 O LEU A 58 101.663 9.697 -11.083 1.00 0.00 O ATOM 937 CB LEU A 58 100.437 7.817 -13.386 1.00 0.00 C ATOM 938 CG LEU A 58 100.696 6.629 -14.321 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.502 5.674 -14.275 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.891 7.127 -15.754 1.00 0.00 C ATOM 0 H LEU A 58 102.390 7.043 -12.031 1.00 0.00 H new ATOM 0 HA LEU A 58 102.014 9.098 -14.193 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.119 7.456 -12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.624 8.427 -13.780 1.00 0.00 H new ATOM 0 HG LEU A 58 101.596 6.108 -13.995 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.686 4.830 -14.939 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.365 5.311 -13.256 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.603 6.200 -14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 58 101.075 6.278 -16.412 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.994 7.653 -16.082 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.743 7.805 -15.791 1.00 0.00 H new ATOM 952 N PRO A 59 101.022 10.963 -12.813 1.00 0.00 N ATOM 953 CA PRO A 59 100.748 12.150 -11.961 1.00 0.00 C ATOM 954 C PRO A 59 99.503 11.910 -11.098 1.00 0.00 C ATOM 955 O PRO A 59 98.406 12.318 -11.442 1.00 0.00 O ATOM 956 CB PRO A 59 100.513 13.279 -12.966 1.00 0.00 C ATOM 957 CG PRO A 59 100.111 12.599 -14.236 1.00 0.00 C ATOM 958 CD PRO A 59 100.749 11.234 -14.234 1.00 0.00 C ATOM 0 HA PRO A 59 101.559 12.375 -11.268 1.00 0.00 H new ATOM 0 HB2 PRO A 59 99.734 13.958 -12.620 1.00 0.00 H new ATOM 0 HB3 PRO A 59 101.415 13.874 -13.107 1.00 0.00 H new ATOM 0 HG2 PRO A 59 99.026 12.516 -14.301 1.00 0.00 H new ATOM 0 HG3 PRO A 59 100.439 13.175 -15.101 1.00 0.00 H new ATOM 0 HD2 PRO A 59 100.084 10.483 -14.662 1.00 0.00 H new ATOM 0 HD3 PRO A 59 101.665 11.222 -14.825 1.00 0.00 H new ATOM 966 N LYS A 60 99.667 11.247 -9.978 1.00 0.00 N ATOM 967 CA LYS A 60 98.504 10.977 -9.077 1.00 0.00 C ATOM 968 C LYS A 60 98.878 11.284 -7.624 1.00 0.00 C ATOM 969 O LYS A 60 100.040 11.287 -7.262 1.00 0.00 O ATOM 970 CB LYS A 60 98.202 9.488 -9.251 1.00 0.00 C ATOM 971 CG LYS A 60 97.686 9.232 -10.670 1.00 0.00 C ATOM 972 CD LYS A 60 97.335 7.752 -10.828 1.00 0.00 C ATOM 973 CE LYS A 60 96.051 7.445 -10.055 1.00 0.00 C ATOM 974 NZ LYS A 60 95.544 6.173 -10.643 1.00 0.00 N ATOM 0 H LYS A 60 100.560 10.880 -9.649 1.00 0.00 H new ATOM 0 HA LYS A 60 97.641 11.597 -9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 60 99.102 8.900 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 60 97.459 9.169 -8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 60 96.808 9.847 -10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 60 98.443 9.517 -11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 60 97.204 7.509 -11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 60 98.152 7.132 -10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 60 96.248 7.336 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 60 95.323 8.249 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 94.663 5.896 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 95.359 6.309 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 96.256 5.425 -10.518 1.00 0.00 H new ATOM 988 N ASN A 61 97.895 11.544 -6.786 1.00 0.00 N ATOM 989 CA ASN A 61 98.163 11.871 -5.341 1.00 0.00 C ATOM 990 C ASN A 61 99.143 13.049 -5.222 1.00 0.00 C ATOM 991 O ASN A 61 100.043 13.039 -4.400 1.00 0.00 O ATOM 992 CB ASN A 61 98.764 10.597 -4.733 1.00 0.00 C ATOM 993 CG ASN A 61 98.681 10.672 -3.207 1.00 0.00 C ATOM 994 OD1 ASN A 61 97.605 10.744 -2.648 1.00 0.00 O ATOM 995 ND2 ASN A 61 99.781 10.660 -2.504 1.00 0.00 N ATOM 0 H ASN A 61 96.908 11.544 -7.044 1.00 0.00 H new ATOM 0 HA ASN A 61 97.253 12.171 -4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 61 98.227 9.720 -5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 61 99.802 10.486 -5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 61 99.736 10.711 -1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 61 100.685 10.600 -2.972 1.00 0.00 H new ATOM 1002 N GLU A 62 98.967 14.060 -6.038 1.00 0.00 N ATOM 1003 CA GLU A 62 99.879 15.249 -5.982 1.00 0.00 C ATOM 1004 C GLU A 62 99.691 16.006 -4.662 1.00 0.00 C ATOM 1005 O GLU A 62 100.623 16.584 -4.133 1.00 0.00 O ATOM 1006 CB GLU A 62 99.472 16.133 -7.165 1.00 0.00 C ATOM 1007 CG GLU A 62 99.803 15.419 -8.481 1.00 0.00 C ATOM 1008 CD GLU A 62 101.322 15.344 -8.664 1.00 0.00 C ATOM 1009 OE1 GLU A 62 101.985 16.328 -8.377 1.00 0.00 O ATOM 1010 OE2 GLU A 62 101.796 14.303 -9.088 1.00 0.00 O ATOM 0 H GLU A 62 98.231 14.114 -6.742 1.00 0.00 H new ATOM 0 HA GLU A 62 100.928 14.957 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 62 98.405 16.353 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 62 99.996 17.087 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 62 99.378 14.415 -8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 62 99.353 15.953 -9.318 1.00 0.00 H new ATOM 1017 N ILE A 63 98.491 16.003 -4.130 1.00 0.00 N ATOM 1018 CA ILE A 63 98.226 16.735 -2.851 1.00 0.00 C ATOM 1019 C ILE A 63 98.050 15.728 -1.706 1.00 0.00 C ATOM 1020 O ILE A 63 97.446 14.684 -1.876 1.00 0.00 O ATOM 1021 CB ILE A 63 96.926 17.524 -3.094 1.00 0.00 C ATOM 1022 CG1 ILE A 63 97.118 18.495 -4.266 1.00 0.00 C ATOM 1023 CG2 ILE A 63 96.564 18.326 -1.838 1.00 0.00 C ATOM 1024 CD1 ILE A 63 95.761 19.060 -4.694 1.00 0.00 C ATOM 0 H ILE A 63 97.683 15.524 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 63 99.045 17.398 -2.572 1.00 0.00 H new ATOM 0 HB ILE A 63 96.126 16.821 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 63 97.785 19.306 -3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 63 97.590 17.981 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 63 95.644 18.883 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 63 96.421 17.644 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.370 19.022 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.900 19.749 -5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.108 18.244 -5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 63 95.307 19.590 -3.857 1.00 0.00 H new ATOM 1036 N MET A 64 98.574 16.041 -0.545 1.00 0.00 N ATOM 1037 CA MET A 64 98.453 15.108 0.618 1.00 0.00 C ATOM 1038 C MET A 64 97.154 15.388 1.390 1.00 0.00 C ATOM 1039 O MET A 64 96.556 16.434 1.218 1.00 0.00 O ATOM 1040 CB MET A 64 99.672 15.399 1.497 1.00 0.00 C ATOM 1041 CG MET A 64 100.871 14.590 0.995 1.00 0.00 C ATOM 1042 SD MET A 64 101.614 15.428 -0.427 1.00 0.00 S ATOM 1043 CE MET A 64 102.226 16.882 0.459 1.00 0.00 C ATOM 0 H MET A 64 99.081 16.905 -0.353 1.00 0.00 H new ATOM 0 HA MET A 64 98.420 14.065 0.305 1.00 0.00 H new ATOM 0 HB2 MET A 64 99.904 16.464 1.474 1.00 0.00 H new ATOM 0 HB3 MET A 64 99.455 15.142 2.534 1.00 0.00 H new ATOM 0 HG2 MET A 64 101.607 14.480 1.791 1.00 0.00 H new ATOM 0 HG3 MET A 64 100.553 13.586 0.713 1.00 0.00 H new ATOM 0 HE1 MET A 64 103.196 17.172 0.056 1.00 0.00 H new ATOM 0 HE2 MET A 64 101.522 17.705 0.337 1.00 0.00 H new ATOM 0 HE3 MET A 64 102.329 16.646 1.518 1.00 0.00 H new ATOM 1053 N PRO A 65 96.753 14.444 2.221 1.00 0.00 N ATOM 1054 CA PRO A 65 95.500 14.607 3.009 1.00 0.00 C ATOM 1055 C PRO A 65 95.637 15.761 4.013 1.00 0.00 C ATOM 1056 O PRO A 65 94.672 16.429 4.333 1.00 0.00 O ATOM 1057 CB PRO A 65 95.338 13.269 3.735 1.00 0.00 C ATOM 1058 CG PRO A 65 96.696 12.642 3.722 1.00 0.00 C ATOM 1059 CD PRO A 65 97.411 13.158 2.505 1.00 0.00 C ATOM 0 HA PRO A 65 94.640 14.849 2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 65 94.983 13.416 4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 65 94.608 12.635 3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 65 97.246 12.896 4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 65 96.618 11.555 3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 65 98.477 13.288 2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 65 97.318 12.469 1.666 1.00 0.00 H new ATOM 1067 N LYS A 66 96.830 15.994 4.507 1.00 0.00 N ATOM 1068 CA LYS A 66 97.035 17.097 5.498 1.00 0.00 C ATOM 1069 C LYS A 66 97.316 18.415 4.770 1.00 0.00 C ATOM 1070 O LYS A 66 98.208 18.499 3.947 1.00 0.00 O ATOM 1071 CB LYS A 66 98.250 16.672 6.326 1.00 0.00 C ATOM 1072 CG LYS A 66 98.397 17.603 7.531 1.00 0.00 C ATOM 1073 CD LYS A 66 99.645 17.216 8.327 1.00 0.00 C ATOM 1074 CE LYS A 66 99.702 18.034 9.619 1.00 0.00 C ATOM 1075 NZ LYS A 66 100.577 17.248 10.534 1.00 0.00 N ATOM 0 H LYS A 66 97.670 15.468 4.266 1.00 0.00 H new ATOM 0 HA LYS A 66 96.156 17.258 6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 66 98.132 15.642 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 66 99.151 16.707 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 66 98.472 18.638 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 66 97.513 17.536 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 66 99.625 16.151 8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 66 100.540 17.396 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 66 100.111 19.028 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 66 98.708 18.170 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 100.665 17.746 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 100.159 16.309 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 101.519 17.140 10.106 1.00 0.00 H new ATOM 1089 N ASN A 67 96.558 19.441 5.073 1.00 0.00 N ATOM 1090 CA ASN A 67 96.766 20.762 4.402 1.00 0.00 C ATOM 1091 C ASN A 67 97.747 21.618 5.210 1.00 0.00 C ATOM 1092 O ASN A 67 98.524 22.373 4.654 1.00 0.00 O ATOM 1093 CB ASN A 67 95.384 21.417 4.368 1.00 0.00 C ATOM 1094 CG ASN A 67 95.429 22.663 3.483 1.00 0.00 C ATOM 1095 OD1 ASN A 67 95.420 23.774 3.977 1.00 0.00 O ATOM 1096 ND2 ASN A 67 95.480 22.526 2.186 1.00 0.00 N ATOM 0 H ASN A 67 95.802 19.420 5.758 1.00 0.00 H new ATOM 0 HA ASN A 67 97.188 20.653 3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 67 94.646 20.713 3.984 1.00 0.00 H new ATOM 0 HB3 ASN A 67 95.073 21.686 5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 67 95.512 23.351 1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 67 95.488 21.594 1.772 1.00 0.00 H new ATOM 1103 N GLY A 68 97.712 21.503 6.516 1.00 0.00 N ATOM 1104 CA GLY A 68 98.627 22.318 7.372 1.00 0.00 C ATOM 1105 C GLY A 68 97.925 23.616 7.776 1.00 0.00 C ATOM 1106 O GLY A 68 98.192 24.670 7.229 1.00 0.00 O ATOM 0 H GLY A 68 97.087 20.878 7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 68 98.910 21.753 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 68 99.546 22.542 6.830 1.00 0.00 H new ATOM 1110 N THR A 69 97.030 23.545 8.732 1.00 0.00 N ATOM 1111 CA THR A 69 96.286 24.768 9.169 1.00 0.00 C ATOM 1112 C THR A 69 97.045 25.475 10.297 1.00 0.00 C ATOM 1113 O THR A 69 97.596 24.839 11.175 1.00 0.00 O ATOM 1114 CB THR A 69 94.933 24.256 9.669 1.00 0.00 C ATOM 1115 OG1 THR A 69 94.359 23.406 8.687 1.00 0.00 O ATOM 1116 CG2 THR A 69 94.000 25.441 9.927 1.00 0.00 C ATOM 0 H THR A 69 96.782 22.690 9.230 1.00 0.00 H new ATOM 0 HA THR A 69 96.172 25.491 8.361 1.00 0.00 H new ATOM 0 HB THR A 69 95.075 23.700 10.595 1.00 0.00 H new ATOM 0 HG1 THR A 69 93.493 23.076 9.006 1.00 0.00 H new ATOM 0 HG21 THR A 69 93.037 25.075 10.283 1.00 0.00 H new ATOM 0 HG22 THR A 69 94.441 26.094 10.680 1.00 0.00 H new ATOM 0 HG23 THR A 69 93.857 25.999 9.002 1.00 0.00 H new ATOM 1124 N LYS A 70 97.072 26.785 10.272 1.00 0.00 N ATOM 1125 CA LYS A 70 97.791 27.550 11.339 1.00 0.00 C ATOM 1126 C LYS A 70 96.836 27.873 12.492 1.00 0.00 C ATOM 1127 O LYS A 70 95.703 28.265 12.277 1.00 0.00 O ATOM 1128 CB LYS A 70 98.266 28.835 10.660 1.00 0.00 C ATOM 1129 CG LYS A 70 99.222 29.584 11.590 1.00 0.00 C ATOM 1130 CD LYS A 70 99.639 30.904 10.939 1.00 0.00 C ATOM 1131 CE LYS A 70 100.699 31.588 11.805 1.00 0.00 C ATOM 1132 NZ LYS A 70 100.846 32.952 11.225 1.00 0.00 N ATOM 0 H LYS A 70 96.626 27.359 9.557 1.00 0.00 H new ATOM 0 HA LYS A 70 98.621 26.984 11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 70 98.767 28.598 9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 70 97.412 29.466 10.415 1.00 0.00 H new ATOM 0 HG2 LYS A 70 98.739 29.776 12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 70 100.101 28.973 11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 70 100.034 30.720 9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 70 98.772 31.555 10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 70 100.387 31.634 12.848 1.00 0.00 H new ATOM 0 HE3 LYS A 70 101.643 31.043 11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 101.557 33.484 11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 101.150 32.877 10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 99.933 33.449 11.271 1.00 0.00 H new ATOM 1146 N SER A 71 97.288 27.711 13.712 1.00 0.00 N ATOM 1147 CA SER A 71 96.416 28.002 14.892 1.00 0.00 C ATOM 1148 C SER A 71 97.098 29.026 15.817 1.00 0.00 C ATOM 1149 O SER A 71 97.795 28.648 16.742 1.00 0.00 O ATOM 1150 CB SER A 71 96.247 26.656 15.599 1.00 0.00 C ATOM 1151 OG SER A 71 95.822 25.680 14.656 1.00 0.00 O ATOM 0 H SER A 71 98.228 27.388 13.942 1.00 0.00 H new ATOM 0 HA SER A 71 95.456 28.431 14.604 1.00 0.00 H new ATOM 0 HB2 SER A 71 97.189 26.351 16.056 1.00 0.00 H new ATOM 0 HB3 SER A 71 95.516 26.744 16.403 1.00 0.00 H new ATOM 0 HG SER A 71 95.714 24.816 15.106 1.00 0.00 H new ATOM 1157 N PRO A 72 96.878 30.298 15.542 1.00 0.00 N ATOM 1158 CA PRO A 72 97.477 31.372 16.383 1.00 0.00 C ATOM 1159 C PRO A 72 96.883 31.342 17.797 1.00 0.00 C ATOM 1160 O PRO A 72 97.545 31.675 18.762 1.00 0.00 O ATOM 1161 CB PRO A 72 97.101 32.666 15.659 1.00 0.00 C ATOM 1162 CG PRO A 72 95.939 32.312 14.787 1.00 0.00 C ATOM 1163 CD PRO A 72 96.068 30.853 14.445 1.00 0.00 C ATOM 0 HA PRO A 72 98.555 31.262 16.504 1.00 0.00 H new ATOM 0 HB2 PRO A 72 96.835 33.450 16.368 1.00 0.00 H new ATOM 0 HB3 PRO A 72 97.936 33.042 15.067 1.00 0.00 H new ATOM 0 HG2 PRO A 72 94.998 32.505 15.303 1.00 0.00 H new ATOM 0 HG3 PRO A 72 95.937 32.920 13.883 1.00 0.00 H new ATOM 0 HD2 PRO A 72 95.093 30.370 14.385 1.00 0.00 H new ATOM 0 HD3 PRO A 72 96.554 30.711 13.480 1.00 0.00 H new ATOM 1171 N SER A 73 95.638 30.947 17.921 1.00 0.00 N ATOM 1172 CA SER A 73 94.993 30.884 19.270 1.00 0.00 C ATOM 1173 C SER A 73 95.289 29.536 19.934 1.00 0.00 C ATOM 1174 O SER A 73 95.869 28.653 19.328 1.00 0.00 O ATOM 1175 CB SER A 73 93.493 31.033 19.007 1.00 0.00 C ATOM 1176 OG SER A 73 92.799 31.045 20.248 1.00 0.00 O ATOM 0 H SER A 73 95.040 30.665 17.144 1.00 0.00 H new ATOM 0 HA SER A 73 95.366 31.659 19.940 1.00 0.00 H new ATOM 0 HB2 SER A 73 93.298 31.955 18.459 1.00 0.00 H new ATOM 0 HB3 SER A 73 93.137 30.211 18.386 1.00 0.00 H new ATOM 0 HG SER A 73 91.915 31.450 20.125 1.00 0.00 H new ATOM 1182 N THR A 74 94.893 29.377 21.174 1.00 0.00 N ATOM 1183 CA THR A 74 95.157 28.094 21.896 1.00 0.00 C ATOM 1184 C THR A 74 93.911 27.200 21.876 1.00 0.00 C ATOM 1185 O THR A 74 93.676 26.435 22.794 1.00 0.00 O ATOM 1186 CB THR A 74 95.497 28.508 23.329 1.00 0.00 C ATOM 1187 OG1 THR A 74 94.469 29.349 23.834 1.00 0.00 O ATOM 1188 CG2 THR A 74 96.829 29.259 23.345 1.00 0.00 C ATOM 0 H THR A 74 94.397 30.083 21.718 1.00 0.00 H new ATOM 0 HA THR A 74 95.961 27.522 21.433 1.00 0.00 H new ATOM 0 HB THR A 74 95.579 27.619 23.954 1.00 0.00 H new ATOM 0 HG1 THR A 74 94.685 29.614 24.753 1.00 0.00 H new ATOM 0 HG21 THR A 74 97.069 29.553 24.367 1.00 0.00 H new ATOM 0 HG22 THR A 74 97.616 28.611 22.959 1.00 0.00 H new ATOM 0 HG23 THR A 74 96.753 30.149 22.720 1.00 0.00 H new ATOM 1196 N ASN A 75 93.114 27.293 20.838 1.00 0.00 N ATOM 1197 CA ASN A 75 91.890 26.440 20.742 1.00 0.00 C ATOM 1198 C ASN A 75 92.146 25.245 19.817 1.00 0.00 C ATOM 1199 O ASN A 75 91.253 24.779 19.133 1.00 0.00 O ATOM 1200 CB ASN A 75 90.813 27.354 20.152 1.00 0.00 C ATOM 1201 CG ASN A 75 90.463 28.457 21.156 1.00 0.00 C ATOM 1202 OD1 ASN A 75 90.512 28.249 22.353 1.00 0.00 O ATOM 1203 ND2 ASN A 75 90.105 29.633 20.715 1.00 0.00 N ATOM 0 H ASN A 75 93.260 27.926 20.051 1.00 0.00 H new ATOM 0 HA ASN A 75 91.595 26.034 21.710 1.00 0.00 H new ATOM 0 HB2 ASN A 75 91.168 27.796 19.221 1.00 0.00 H new ATOM 0 HB3 ASN A 75 89.923 26.774 19.910 1.00 0.00 H new ATOM 0 HD21 ASN A 75 89.867 30.374 21.374 1.00 0.00 H new ATOM 0 HD22 ASN A 75 90.063 29.810 19.711 1.00 0.00 H new ATOM 1210 N SER A 76 93.361 24.747 19.796 1.00 0.00 N ATOM 1211 CA SER A 76 93.693 23.585 18.907 1.00 0.00 C ATOM 1212 C SER A 76 92.910 22.337 19.333 1.00 0.00 C ATOM 1213 O SER A 76 92.603 21.484 18.520 1.00 0.00 O ATOM 1214 CB SER A 76 95.195 23.356 19.079 1.00 0.00 C ATOM 1215 OG SER A 76 95.453 22.901 20.401 1.00 0.00 O ATOM 0 H SER A 76 94.138 25.095 20.357 1.00 0.00 H new ATOM 0 HA SER A 76 93.428 23.785 17.869 1.00 0.00 H new ATOM 0 HB2 SER A 76 95.548 22.622 18.354 1.00 0.00 H new ATOM 0 HB3 SER A 76 95.740 24.281 18.888 1.00 0.00 H new ATOM 0 HG SER A 76 96.415 22.752 20.514 1.00 0.00 H new ATOM 1221 N THR A 77 92.590 22.225 20.602 1.00 0.00 N ATOM 1222 CA THR A 77 91.819 21.033 21.090 1.00 0.00 C ATOM 1223 C THR A 77 90.424 21.004 20.452 1.00 0.00 C ATOM 1224 O THR A 77 89.897 19.951 20.144 1.00 0.00 O ATOM 1225 CB THR A 77 91.710 21.211 22.607 1.00 0.00 C ATOM 1226 OG1 THR A 77 93.000 21.464 23.146 1.00 0.00 O ATOM 1227 CG2 THR A 77 91.135 19.939 23.235 1.00 0.00 C ATOM 0 H THR A 77 92.829 22.907 21.321 1.00 0.00 H new ATOM 0 HA THR A 77 92.310 20.096 20.827 1.00 0.00 H new ATOM 0 HB THR A 77 91.051 22.051 22.827 1.00 0.00 H new ATOM 0 HG1 THR A 77 92.932 21.580 24.117 1.00 0.00 H new ATOM 0 HG21 THR A 77 91.059 20.069 24.315 1.00 0.00 H new ATOM 0 HG22 THR A 77 90.145 19.745 22.822 1.00 0.00 H new ATOM 0 HG23 THR A 77 91.791 19.097 23.016 1.00 0.00 H new ATOM 1235 N LYS A 78 89.824 22.161 20.255 1.00 0.00 N ATOM 1236 CA LYS A 78 88.457 22.237 19.629 1.00 0.00 C ATOM 1237 C LYS A 78 87.462 21.330 20.365 1.00 0.00 C ATOM 1238 O LYS A 78 87.353 20.152 20.075 1.00 0.00 O ATOM 1239 CB LYS A 78 88.640 21.774 18.177 1.00 0.00 C ATOM 1240 CG LYS A 78 89.512 22.780 17.424 1.00 0.00 C ATOM 1241 CD LYS A 78 89.599 22.377 15.950 1.00 0.00 C ATOM 1242 CE LYS A 78 90.563 23.316 15.220 1.00 0.00 C ATOM 1243 NZ LYS A 78 90.902 22.607 13.955 1.00 0.00 N ATOM 0 H LYS A 78 90.227 23.064 20.504 1.00 0.00 H new ATOM 0 HA LYS A 78 88.051 23.247 19.683 1.00 0.00 H new ATOM 0 HB2 LYS A 78 89.103 20.788 18.155 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.670 21.682 17.689 1.00 0.00 H new ATOM 0 HG2 LYS A 78 89.091 23.781 17.514 1.00 0.00 H new ATOM 0 HG3 LYS A 78 90.509 22.813 17.863 1.00 0.00 H new ATOM 0 HD2 LYS A 78 89.943 21.346 15.863 1.00 0.00 H new ATOM 0 HD3 LYS A 78 88.612 22.423 15.490 1.00 0.00 H new ATOM 0 HE2 LYS A 78 90.099 24.282 15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 78 91.455 23.509 15.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 91.560 23.188 13.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 91.348 21.694 14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 90.034 22.443 13.406 1.00 0.00 H new ATOM 1257 N LEU A 79 86.739 21.875 21.314 1.00 0.00 N ATOM 1258 CA LEU A 79 85.742 21.054 22.079 1.00 0.00 C ATOM 1259 C LEU A 79 84.618 20.582 21.150 1.00 0.00 C ATOM 1260 O LEU A 79 84.088 19.498 21.307 1.00 0.00 O ATOM 1261 CB LEU A 79 85.185 21.985 23.161 1.00 0.00 C ATOM 1262 CG LEU A 79 86.296 22.354 24.147 1.00 0.00 C ATOM 1263 CD1 LEU A 79 85.816 23.487 25.055 1.00 0.00 C ATOM 1264 CD2 LEU A 79 86.648 21.134 25.001 1.00 0.00 C ATOM 0 H LEU A 79 86.795 22.854 21.594 1.00 0.00 H new ATOM 0 HA LEU A 79 86.198 20.163 22.510 1.00 0.00 H new ATOM 0 HB2 LEU A 79 84.777 22.887 22.704 1.00 0.00 H new ATOM 0 HB3 LEU A 79 84.366 21.496 23.688 1.00 0.00 H new ATOM 0 HG LEU A 79 87.178 22.678 23.594 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.607 23.750 25.757 1.00 0.00 H new ATOM 0 HD12 LEU A 79 85.565 24.357 24.449 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.934 23.162 25.607 1.00 0.00 H new ATOM 0 HD21 LEU A 79 87.439 21.397 25.703 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.766 20.810 25.553 1.00 0.00 H new ATOM 0 HD23 LEU A 79 86.990 20.325 24.356 1.00 0.00 H new ATOM 1276 N LYS A 80 84.251 21.396 20.181 1.00 0.00 N ATOM 1277 CA LYS A 80 83.167 21.017 19.208 1.00 0.00 C ATOM 1278 C LYS A 80 81.887 20.598 19.947 1.00 0.00 C ATOM 1279 O LYS A 80 81.245 19.624 19.596 1.00 0.00 O ATOM 1280 CB LYS A 80 83.734 19.847 18.391 1.00 0.00 C ATOM 1281 CG LYS A 80 84.922 20.332 17.557 1.00 0.00 C ATOM 1282 CD LYS A 80 85.411 19.195 16.656 1.00 0.00 C ATOM 1283 CE LYS A 80 86.668 19.642 15.907 1.00 0.00 C ATOM 1284 NZ LYS A 80 86.735 18.759 14.709 1.00 0.00 N ATOM 0 H LYS A 80 84.661 22.316 20.021 1.00 0.00 H new ATOM 0 HA LYS A 80 82.892 21.857 18.569 1.00 0.00 H new ATOM 0 HB2 LYS A 80 84.048 19.043 19.057 1.00 0.00 H new ATOM 0 HB3 LYS A 80 82.962 19.437 17.739 1.00 0.00 H new ATOM 0 HG2 LYS A 80 84.629 21.190 16.952 1.00 0.00 H new ATOM 0 HG3 LYS A 80 85.728 20.664 18.211 1.00 0.00 H new ATOM 0 HD2 LYS A 80 85.627 18.310 17.254 1.00 0.00 H new ATOM 0 HD3 LYS A 80 84.631 18.918 15.947 1.00 0.00 H new ATOM 0 HE2 LYS A 80 86.605 20.692 15.621 1.00 0.00 H new ATOM 0 HE3 LYS A 80 87.557 19.534 16.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 87.572 19.004 14.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 86.801 17.766 15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 85.878 18.889 14.134 1.00 0.00 H new ATOM 1298 N SER A 81 81.517 21.333 20.971 1.00 0.00 N ATOM 1299 CA SER A 81 80.274 20.993 21.742 1.00 0.00 C ATOM 1300 C SER A 81 79.038 21.123 20.846 1.00 0.00 C ATOM 1301 O SER A 81 78.097 20.359 20.961 1.00 0.00 O ATOM 1302 CB SER A 81 80.212 22.009 22.885 1.00 0.00 C ATOM 1303 OG SER A 81 79.153 21.661 23.766 1.00 0.00 O ATOM 0 H SER A 81 82.021 22.154 21.307 1.00 0.00 H new ATOM 0 HA SER A 81 80.295 19.968 22.112 1.00 0.00 H new ATOM 0 HB2 SER A 81 81.159 22.025 23.425 1.00 0.00 H new ATOM 0 HB3 SER A 81 80.055 23.012 22.487 1.00 0.00 H new ATOM 0 HG SER A 81 79.112 22.309 24.500 1.00 0.00 H new ATOM 1309 N ALA A 82 79.038 22.086 19.955 1.00 0.00 N ATOM 1310 CA ALA A 82 77.877 22.259 19.024 1.00 0.00 C ATOM 1311 C ALA A 82 77.808 21.087 18.039 1.00 0.00 C ATOM 1312 O ALA A 82 76.738 20.673 17.632 1.00 0.00 O ATOM 1313 CB ALA A 82 78.142 23.569 18.278 1.00 0.00 C ATOM 0 H ALA A 82 79.793 22.761 19.832 1.00 0.00 H new ATOM 0 HA ALA A 82 76.928 22.285 19.559 1.00 0.00 H new ATOM 0 HB1 ALA A 82 77.329 23.759 17.577 1.00 0.00 H new ATOM 0 HB2 ALA A 82 78.204 24.389 18.993 1.00 0.00 H new ATOM 0 HB3 ALA A 82 79.082 23.493 17.732 1.00 0.00 H new ATOM 1319 N GLU A 83 78.945 20.552 17.658 1.00 0.00 N ATOM 1320 CA GLU A 83 78.959 19.397 16.703 1.00 0.00 C ATOM 1321 C GLU A 83 78.328 18.160 17.355 1.00 0.00 C ATOM 1322 O GLU A 83 77.708 17.349 16.691 1.00 0.00 O ATOM 1323 CB GLU A 83 80.437 19.142 16.390 1.00 0.00 C ATOM 1324 CG GLU A 83 80.554 18.120 15.255 1.00 0.00 C ATOM 1325 CD GLU A 83 82.027 17.776 15.023 1.00 0.00 C ATOM 1326 OE1 GLU A 83 82.738 17.599 16.000 1.00 0.00 O ATOM 1327 OE2 GLU A 83 82.420 17.694 13.872 1.00 0.00 O ATOM 0 H GLU A 83 79.865 20.866 17.968 1.00 0.00 H new ATOM 0 HA GLU A 83 78.387 19.610 15.800 1.00 0.00 H new ATOM 0 HB2 GLU A 83 80.925 20.074 16.105 1.00 0.00 H new ATOM 0 HB3 GLU A 83 80.949 18.773 17.279 1.00 0.00 H new ATOM 0 HG2 GLU A 83 79.995 17.218 15.505 1.00 0.00 H new ATOM 0 HG3 GLU A 83 80.116 18.524 14.342 1.00 0.00 H new ATOM 1334 N THR A 84 78.485 18.013 18.649 1.00 0.00 N ATOM 1335 CA THR A 84 77.888 16.834 19.358 1.00 0.00 C ATOM 1336 C THR A 84 76.357 16.899 19.301 1.00 0.00 C ATOM 1337 O THR A 84 75.694 15.898 19.105 1.00 0.00 O ATOM 1338 CB THR A 84 78.375 16.938 20.807 1.00 0.00 C ATOM 1339 OG1 THR A 84 79.786 17.109 20.818 1.00 0.00 O ATOM 1340 CG2 THR A 84 78.011 15.661 21.566 1.00 0.00 C ATOM 0 H THR A 84 79.001 18.659 19.246 1.00 0.00 H new ATOM 0 HA THR A 84 78.185 15.891 18.899 1.00 0.00 H new ATOM 0 HB THR A 84 77.898 17.792 21.289 1.00 0.00 H new ATOM 0 HG1 THR A 84 80.100 17.178 21.744 1.00 0.00 H new ATOM 0 HG21 THR A 84 78.359 15.738 22.596 1.00 0.00 H new ATOM 0 HG22 THR A 84 76.929 15.528 21.557 1.00 0.00 H new ATOM 0 HG23 THR A 84 78.485 14.805 21.086 1.00 0.00 H new ATOM 1348 N TYR A 85 75.798 18.074 19.472 1.00 0.00 N ATOM 1349 CA TYR A 85 74.307 18.221 19.405 1.00 0.00 C ATOM 1350 C TYR A 85 73.812 17.955 17.980 1.00 0.00 C ATOM 1351 O TYR A 85 72.814 17.287 17.777 1.00 0.00 O ATOM 1352 CB TYR A 85 74.022 19.671 19.807 1.00 0.00 C ATOM 1353 CG TYR A 85 72.548 19.990 19.909 1.00 0.00 C ATOM 1354 CD1 TYR A 85 71.846 19.715 21.107 1.00 0.00 C ATOM 1355 CD2 TYR A 85 71.870 20.562 18.805 1.00 0.00 C ATOM 1356 CE1 TYR A 85 70.464 20.013 21.202 1.00 0.00 C ATOM 1357 CE2 TYR A 85 70.489 20.861 18.900 1.00 0.00 C ATOM 1358 CZ TYR A 85 69.786 20.586 20.098 1.00 0.00 C ATOM 1359 OH TYR A 85 68.440 20.877 20.190 1.00 0.00 O ATOM 0 H TYR A 85 76.309 18.938 19.655 1.00 0.00 H new ATOM 0 HA TYR A 85 73.798 17.513 20.059 1.00 0.00 H new ATOM 0 HB2 TYR A 85 74.497 19.873 20.767 1.00 0.00 H new ATOM 0 HB3 TYR A 85 74.480 20.339 19.078 1.00 0.00 H new ATOM 0 HD1 TYR A 85 72.364 19.278 21.948 1.00 0.00 H new ATOM 0 HD2 TYR A 85 72.406 20.770 17.891 1.00 0.00 H new ATOM 0 HE1 TYR A 85 69.928 19.803 22.116 1.00 0.00 H new ATOM 0 HE2 TYR A 85 69.972 21.299 18.059 1.00 0.00 H new ATOM 0 HH TYR A 85 68.131 21.266 19.345 1.00 0.00 H new ATOM 1369 N SER A 86 74.506 18.474 16.996 1.00 0.00 N ATOM 1370 CA SER A 86 74.100 18.243 15.576 1.00 0.00 C ATOM 1371 C SER A 86 75.340 18.177 14.679 1.00 0.00 C ATOM 1372 O SER A 86 76.378 18.721 15.005 1.00 0.00 O ATOM 1373 CB SER A 86 73.235 19.448 15.210 1.00 0.00 C ATOM 1374 OG SER A 86 74.043 20.617 15.188 1.00 0.00 O ATOM 0 H SER A 86 75.339 19.050 17.117 1.00 0.00 H new ATOM 0 HA SER A 86 73.563 17.304 15.446 1.00 0.00 H new ATOM 0 HB2 SER A 86 72.771 19.294 14.236 1.00 0.00 H new ATOM 0 HB3 SER A 86 72.428 19.564 15.933 1.00 0.00 H new ATOM 0 HG SER A 86 73.491 21.392 14.952 1.00 0.00 H new ATOM 1380 N SER A 87 75.235 17.512 13.553 1.00 0.00 N ATOM 1381 CA SER A 87 76.407 17.387 12.633 1.00 0.00 C ATOM 1382 C SER A 87 76.071 17.977 11.260 1.00 0.00 C ATOM 1383 O SER A 87 74.965 17.833 10.769 1.00 0.00 O ATOM 1384 CB SER A 87 76.662 15.884 12.521 1.00 0.00 C ATOM 1385 OG SER A 87 77.845 15.664 11.765 1.00 0.00 O ATOM 0 H SER A 87 74.385 17.049 13.232 1.00 0.00 H new ATOM 0 HA SER A 87 77.280 17.924 13.003 1.00 0.00 H new ATOM 0 HB2 SER A 87 76.764 15.446 13.514 1.00 0.00 H new ATOM 0 HB3 SER A 87 75.814 15.394 12.042 1.00 0.00 H new ATOM 0 HG SER A 87 78.013 14.701 11.693 1.00 0.00 H new ATOM 1391 N LYS A 88 77.018 18.640 10.642 1.00 0.00 N ATOM 1392 CA LYS A 88 76.775 19.232 9.290 1.00 0.00 C ATOM 1393 C LYS A 88 77.959 18.934 8.359 1.00 0.00 C ATOM 1394 O LYS A 88 79.096 18.887 8.788 1.00 0.00 O ATOM 1395 CB LYS A 88 76.624 20.744 9.528 1.00 0.00 C ATOM 1396 CG LYS A 88 77.901 21.320 10.158 1.00 0.00 C ATOM 1397 CD LYS A 88 77.686 22.798 10.488 1.00 0.00 C ATOM 1398 CE LYS A 88 79.027 23.441 10.851 1.00 0.00 C ATOM 1399 NZ LYS A 88 78.671 24.727 11.514 1.00 0.00 N ATOM 0 H LYS A 88 77.953 18.797 11.018 1.00 0.00 H new ATOM 0 HA LYS A 88 75.889 18.815 8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 88 76.418 21.248 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 88 75.772 20.932 10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.154 20.768 11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 88 78.740 21.208 9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 88 77.244 23.311 9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 88 76.986 22.898 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 88 79.605 22.800 11.517 1.00 0.00 H new ATOM 0 HE3 LYS A 88 79.637 23.610 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 79.540 25.226 11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 78.128 25.319 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 78.097 24.534 12.359 1.00 0.00 H new ATOM 1413 N ASN A 89 77.691 18.734 7.090 1.00 0.00 N ATOM 1414 CA ASN A 89 78.791 18.432 6.123 1.00 0.00 C ATOM 1415 C ASN A 89 79.048 19.641 5.219 1.00 0.00 C ATOM 1416 O ASN A 89 78.182 20.063 4.475 1.00 0.00 O ATOM 1417 CB ASN A 89 78.282 17.247 5.301 1.00 0.00 C ATOM 1418 CG ASN A 89 78.175 16.009 6.194 1.00 0.00 C ATOM 1419 OD1 ASN A 89 77.141 15.372 6.249 1.00 0.00 O ATOM 1420 ND2 ASN A 89 79.207 15.639 6.902 1.00 0.00 N ATOM 0 H ASN A 89 76.756 18.767 6.683 1.00 0.00 H new ATOM 0 HA ASN A 89 79.731 18.206 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 89 77.309 17.482 4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 89 78.959 17.051 4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 89 79.146 14.816 7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 89 80.075 16.173 6.856 1.00 0.00 H new ATOM 1427 N LYS A 90 80.235 20.199 5.283 1.00 0.00 N ATOM 1428 CA LYS A 90 80.566 21.383 4.424 1.00 0.00 C ATOM 1429 C LYS A 90 80.574 20.982 2.945 1.00 0.00 C ATOM 1430 O LYS A 90 80.180 21.749 2.085 1.00 0.00 O ATOM 1431 CB LYS A 90 81.964 21.830 4.863 1.00 0.00 C ATOM 1432 CG LYS A 90 81.907 22.352 6.301 1.00 0.00 C ATOM 1433 CD LYS A 90 83.279 22.897 6.700 1.00 0.00 C ATOM 1434 CE LYS A 90 83.254 23.314 8.173 1.00 0.00 C ATOM 1435 NZ LYS A 90 82.659 24.680 8.175 1.00 0.00 N ATOM 0 H LYS A 90 80.990 19.885 5.893 1.00 0.00 H new ATOM 0 HA LYS A 90 79.833 22.182 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 90 82.662 20.995 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 90 82.334 22.609 4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 90 81.154 23.136 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 90 81.611 21.551 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 90 84.045 22.138 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 90 83.539 23.750 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 90 82.658 22.623 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 90 84.257 23.319 8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 83.378 25.371 8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 82.324 24.914 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 81.859 24.709 8.839 1.00 0.00 H new ATOM 1449 N TRP A 91 81.020 19.785 2.648 1.00 0.00 N ATOM 1450 CA TRP A 91 81.062 19.320 1.228 1.00 0.00 C ATOM 1451 C TRP A 91 80.028 18.214 1.003 1.00 0.00 C ATOM 1452 O TRP A 91 79.837 17.354 1.844 1.00 0.00 O ATOM 1453 CB TRP A 91 82.478 18.779 1.031 1.00 0.00 C ATOM 1454 CG TRP A 91 83.541 19.821 1.176 1.00 0.00 C ATOM 1455 CD1 TRP A 91 83.826 20.773 0.255 1.00 0.00 C ATOM 1456 CD2 TRP A 91 84.462 20.032 2.285 1.00 0.00 C ATOM 1457 NE1 TRP A 91 84.865 21.560 0.726 1.00 0.00 N ATOM 1458 CE2 TRP A 91 85.295 21.148 1.972 1.00 0.00 C ATOM 1459 CE3 TRP A 91 84.659 19.372 3.529 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 86.293 21.598 2.862 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 85.663 19.820 4.429 1.00 0.00 C ATOM 1462 CH2 TRP A 91 86.478 20.931 4.095 1.00 0.00 C ATOM 0 H TRP A 91 81.358 19.108 3.332 1.00 0.00 H new ATOM 0 HA TRP A 91 80.829 20.119 0.524 1.00 0.00 H new ATOM 0 HB2 TRP A 91 82.659 17.984 1.755 1.00 0.00 H new ATOM 0 HB3 TRP A 91 82.553 18.331 0.040 1.00 0.00 H new ATOM 0 HD1 TRP A 91 83.324 20.898 -0.693 1.00 0.00 H new ATOM 0 HE1 TRP A 91 85.264 22.348 0.215 1.00 0.00 H new ATOM 0 HE3 TRP A 91 84.042 18.525 3.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 86.911 22.445 2.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 85.806 19.312 5.371 1.00 0.00 H new ATOM 0 HH2 TRP A 91 87.240 21.268 4.782 1.00 0.00 H new ATOM 1473 N SER A 92 79.363 18.232 -0.126 1.00 0.00 N ATOM 1474 CA SER A 92 78.344 17.177 -0.424 1.00 0.00 C ATOM 1475 C SER A 92 78.907 16.149 -1.414 1.00 0.00 C ATOM 1476 O SER A 92 78.171 15.544 -2.171 1.00 0.00 O ATOM 1477 CB SER A 92 77.168 17.930 -1.045 1.00 0.00 C ATOM 1478 OG SER A 92 77.550 18.434 -2.318 1.00 0.00 O ATOM 0 H SER A 92 79.482 18.934 -0.856 1.00 0.00 H new ATOM 0 HA SER A 92 78.052 16.624 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 92 76.310 17.266 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 92 76.862 18.749 -0.394 1.00 0.00 H new ATOM 0 HG SER A 92 76.796 18.916 -2.719 1.00 0.00 H new ATOM 1484 N MET A 93 80.205 15.950 -1.411 1.00 0.00 N ATOM 1485 CA MET A 93 80.827 14.976 -2.368 1.00 0.00 C ATOM 1486 C MET A 93 80.375 13.548 -2.041 1.00 0.00 C ATOM 1487 O MET A 93 80.197 12.730 -2.926 1.00 0.00 O ATOM 1488 CB MET A 93 82.340 15.117 -2.169 1.00 0.00 C ATOM 1489 CG MET A 93 83.075 14.337 -3.260 1.00 0.00 C ATOM 1490 SD MET A 93 84.858 14.409 -2.955 1.00 0.00 S ATOM 1491 CE MET A 93 85.379 13.542 -4.455 1.00 0.00 C ATOM 0 H MET A 93 80.861 16.420 -0.787 1.00 0.00 H new ATOM 0 HA MET A 93 80.535 15.176 -3.399 1.00 0.00 H new ATOM 0 HB2 MET A 93 82.625 16.168 -2.204 1.00 0.00 H new ATOM 0 HB3 MET A 93 82.624 14.742 -1.186 1.00 0.00 H new ATOM 0 HG2 MET A 93 82.738 13.300 -3.270 1.00 0.00 H new ATOM 0 HG3 MET A 93 82.845 14.757 -4.239 1.00 0.00 H new ATOM 0 HE1 MET A 93 86.466 13.471 -4.475 1.00 0.00 H new ATOM 0 HE2 MET A 93 84.950 12.540 -4.464 1.00 0.00 H new ATOM 0 HE3 MET A 93 85.035 14.092 -5.331 1.00 0.00 H new ATOM 1501 N ASP A 94 80.192 13.246 -0.778 1.00 0.00 N ATOM 1502 CA ASP A 94 79.763 11.868 -0.381 1.00 0.00 C ATOM 1503 C ASP A 94 78.289 11.867 0.043 1.00 0.00 C ATOM 1504 O ASP A 94 77.723 12.902 0.342 1.00 0.00 O ATOM 1505 CB ASP A 94 80.677 11.474 0.793 1.00 0.00 C ATOM 1506 CG ASP A 94 80.511 12.455 1.962 1.00 0.00 C ATOM 1507 OD1 ASP A 94 79.600 12.258 2.749 1.00 0.00 O ATOM 1508 OD2 ASP A 94 81.297 13.384 2.046 1.00 0.00 O ATOM 0 H ASP A 94 80.322 13.896 -0.003 1.00 0.00 H new ATOM 0 HA ASP A 94 79.849 11.161 -1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 94 80.438 10.463 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 94 81.716 11.465 0.464 1.00 0.00 H new ATOM 1513 N CYS A 95 77.672 10.711 0.069 1.00 0.00 N ATOM 1514 CA CYS A 95 76.235 10.627 0.474 1.00 0.00 C ATOM 1515 C CYS A 95 76.122 10.196 1.939 1.00 0.00 C ATOM 1516 O CYS A 95 75.404 10.797 2.716 1.00 0.00 O ATOM 1517 CB CYS A 95 75.626 9.567 -0.446 1.00 0.00 C ATOM 1518 SG CYS A 95 73.834 9.801 -0.534 1.00 0.00 S ATOM 0 H CYS A 95 78.104 9.819 -0.174 1.00 0.00 H new ATOM 0 HA CYS A 95 75.724 11.586 0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 95 76.062 9.641 -1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 95 75.855 8.570 -0.071 1.00 0.00 H new ATOM 0 HG CYS A 95 73.317 8.902 -1.318 1.00 0.00 H new ATOM 1524 N ASP A 96 76.828 9.157 2.317 1.00 0.00 N ATOM 1525 CA ASP A 96 76.772 8.673 3.730 1.00 0.00 C ATOM 1526 C ASP A 96 78.188 8.526 4.294 1.00 0.00 C ATOM 1527 O ASP A 96 78.541 9.156 5.274 1.00 0.00 O ATOM 1528 CB ASP A 96 76.082 7.310 3.656 1.00 0.00 C ATOM 1529 CG ASP A 96 75.687 6.855 5.064 1.00 0.00 C ATOM 1530 OD1 ASP A 96 76.496 7.008 5.965 1.00 0.00 O ATOM 1531 OD2 ASP A 96 74.583 6.360 5.216 1.00 0.00 O ATOM 0 H ASP A 96 77.443 8.622 1.704 1.00 0.00 H new ATOM 0 HA ASP A 96 76.239 9.365 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 96 75.197 7.373 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 96 76.749 6.578 3.200 1.00 0.00 H new ATOM 1536 N GLU A 97 78.998 7.698 3.679 1.00 0.00 N ATOM 1537 CA GLU A 97 80.397 7.501 4.169 1.00 0.00 C ATOM 1538 C GLU A 97 81.388 8.196 3.231 1.00 0.00 C ATOM 1539 O GLU A 97 81.255 8.135 2.022 1.00 0.00 O ATOM 1540 CB GLU A 97 80.615 5.986 4.153 1.00 0.00 C ATOM 1541 CG GLU A 97 79.705 5.322 5.190 1.00 0.00 C ATOM 1542 CD GLU A 97 79.991 3.818 5.246 1.00 0.00 C ATOM 1543 OE1 GLU A 97 79.942 3.268 6.333 1.00 0.00 O ATOM 1544 OE2 GLU A 97 80.246 3.240 4.201 1.00 0.00 O ATOM 0 H GLU A 97 78.749 7.149 2.856 1.00 0.00 H new ATOM 0 HA GLU A 97 80.550 7.923 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 97 80.402 5.589 3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 97 81.658 5.757 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 97 79.869 5.769 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 97 78.660 5.493 4.932 1.00 0.00 H new ATOM 1551 N GLU A 98 82.379 8.853 3.782 1.00 0.00 N ATOM 1552 CA GLU A 98 83.387 9.559 2.927 1.00 0.00 C ATOM 1553 C GLU A 98 84.266 8.542 2.194 1.00 0.00 C ATOM 1554 O GLU A 98 84.611 8.728 1.041 1.00 0.00 O ATOM 1555 CB GLU A 98 84.231 10.396 3.894 1.00 0.00 C ATOM 1556 CG GLU A 98 83.364 11.498 4.507 1.00 0.00 C ATOM 1557 CD GLU A 98 84.223 12.378 5.418 1.00 0.00 C ATOM 1558 OE1 GLU A 98 84.545 13.481 5.011 1.00 0.00 O ATOM 1559 OE2 GLU A 98 84.543 11.932 6.507 1.00 0.00 O ATOM 0 H GLU A 98 82.535 8.932 4.787 1.00 0.00 H new ATOM 0 HA GLU A 98 82.911 10.179 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 98 84.640 9.761 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 98 85.078 10.836 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 98 82.915 12.102 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 98 82.546 11.057 5.076 1.00 0.00 H new ATOM 1566 N PHE A 99 84.627 7.469 2.856 1.00 0.00 N ATOM 1567 CA PHE A 99 85.491 6.432 2.211 1.00 0.00 C ATOM 1568 C PHE A 99 85.417 5.117 2.992 1.00 0.00 C ATOM 1569 O PHE A 99 85.259 4.054 2.418 1.00 0.00 O ATOM 1570 CB PHE A 99 86.908 7.005 2.263 1.00 0.00 C ATOM 1571 CG PHE A 99 87.932 6.147 1.556 1.00 0.00 C ATOM 1572 CD1 PHE A 99 88.732 5.244 2.297 1.00 0.00 C ATOM 1573 CD2 PHE A 99 88.090 6.245 0.152 1.00 0.00 C ATOM 1574 CE1 PHE A 99 89.691 4.439 1.635 1.00 0.00 C ATOM 1575 CE2 PHE A 99 89.050 5.442 -0.510 1.00 0.00 C ATOM 1576 CZ PHE A 99 89.850 4.538 0.231 1.00 0.00 C ATOM 0 H PHE A 99 84.359 7.267 3.819 1.00 0.00 H new ATOM 0 HA PHE A 99 85.176 6.213 1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 99 86.906 7.998 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 99 87.204 7.126 3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 99 88.611 5.169 3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 99 87.478 6.932 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 99 90.301 3.750 2.200 1.00 0.00 H new ATOM 0 HE2 PHE A 99 89.172 5.519 -1.580 1.00 0.00 H new ATOM 0 HZ PHE A 99 90.581 3.924 -0.274 1.00 0.00 H new ATOM 1586 N ASP A 100 85.529 5.184 4.297 1.00 0.00 N ATOM 1587 CA ASP A 100 85.508 3.936 5.126 1.00 0.00 C ATOM 1588 C ASP A 100 84.111 3.308 5.103 1.00 0.00 C ATOM 1589 O ASP A 100 83.112 4.002 5.060 1.00 0.00 O ATOM 1590 CB ASP A 100 85.870 4.380 6.547 1.00 0.00 C ATOM 1591 CG ASP A 100 87.314 4.889 6.576 1.00 0.00 C ATOM 1592 OD1 ASP A 100 88.158 4.262 5.958 1.00 0.00 O ATOM 1593 OD2 ASP A 100 87.551 5.899 7.218 1.00 0.00 O ATOM 0 H ASP A 100 85.634 6.050 4.825 1.00 0.00 H new ATOM 0 HA ASP A 100 86.204 3.187 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 100 85.190 5.166 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 100 85.754 3.546 7.240 1.00 0.00 H new ATOM 1598 N PHE A 101 84.040 1.998 5.133 1.00 0.00 N ATOM 1599 CA PHE A 101 82.714 1.307 5.131 1.00 0.00 C ATOM 1600 C PHE A 101 82.688 0.208 6.199 1.00 0.00 C ATOM 1601 O PHE A 101 83.721 -0.233 6.670 1.00 0.00 O ATOM 1602 CB PHE A 101 82.578 0.705 3.728 1.00 0.00 C ATOM 1603 CG PHE A 101 83.678 -0.269 3.365 1.00 0.00 C ATOM 1604 CD1 PHE A 101 84.900 0.210 2.831 1.00 0.00 C ATOM 1605 CD2 PHE A 101 83.487 -1.658 3.561 1.00 0.00 C ATOM 1606 CE1 PHE A 101 85.929 -0.701 2.492 1.00 0.00 C ATOM 1607 CE2 PHE A 101 84.516 -2.570 3.221 1.00 0.00 C ATOM 1608 CZ PHE A 101 85.738 -2.091 2.687 1.00 0.00 C ATOM 0 H PHE A 101 84.848 1.376 5.159 1.00 0.00 H new ATOM 0 HA PHE A 101 81.894 1.987 5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 101 81.617 0.196 3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 101 82.567 1.513 2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 101 85.046 1.270 2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 101 82.556 -2.022 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 101 86.860 -0.336 2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 101 84.369 -3.630 3.369 1.00 0.00 H new ATOM 0 HZ PHE A 101 86.524 -2.786 2.429 1.00 0.00 H new ATOM 1618 N ALA A 102 81.514 -0.232 6.583 1.00 0.00 N ATOM 1619 CA ALA A 102 81.409 -1.296 7.633 1.00 0.00 C ATOM 1620 C ALA A 102 81.926 -2.630 7.087 1.00 0.00 C ATOM 1621 O ALA A 102 81.756 -2.939 5.922 1.00 0.00 O ATOM 1622 CB ALA A 102 79.918 -1.395 7.966 1.00 0.00 C ATOM 0 H ALA A 102 80.623 0.100 6.215 1.00 0.00 H new ATOM 0 HA ALA A 102 82.004 -1.059 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 102 79.766 -2.157 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 102 79.563 -0.433 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 102 79.362 -1.665 7.068 1.00 0.00 H new ATOM 1628 N ALA A 103 82.555 -3.419 7.925 1.00 0.00 N ATOM 1629 CA ALA A 103 83.081 -4.747 7.467 1.00 0.00 C ATOM 1630 C ALA A 103 81.924 -5.687 7.119 1.00 0.00 C ATOM 1631 O ALA A 103 82.031 -6.512 6.230 1.00 0.00 O ATOM 1632 CB ALA A 103 83.881 -5.300 8.650 1.00 0.00 C ATOM 0 H ALA A 103 82.728 -3.202 8.907 1.00 0.00 H new ATOM 0 HA ALA A 103 83.696 -4.652 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 103 84.296 -6.273 8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 103 84.692 -4.613 8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 103 83.225 -5.408 9.514 1.00 0.00 H new ATOM 1638 N ASN A 104 80.818 -5.566 7.816 1.00 0.00 N ATOM 1639 CA ASN A 104 79.638 -6.440 7.524 1.00 0.00 C ATOM 1640 C ASN A 104 78.659 -5.718 6.590 1.00 0.00 C ATOM 1641 O ASN A 104 78.613 -4.502 6.549 1.00 0.00 O ATOM 1642 CB ASN A 104 78.994 -6.732 8.891 1.00 0.00 C ATOM 1643 CG ASN A 104 78.528 -5.432 9.561 1.00 0.00 C ATOM 1644 OD1 ASN A 104 77.686 -4.731 9.035 1.00 0.00 O ATOM 1645 ND2 ASN A 104 79.044 -5.081 10.707 1.00 0.00 N ATOM 0 H ASN A 104 80.682 -4.899 8.575 1.00 0.00 H new ATOM 0 HA ASN A 104 79.924 -7.362 7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 104 78.146 -7.405 8.763 1.00 0.00 H new ATOM 0 HB3 ASN A 104 79.711 -7.242 9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 104 78.741 -4.219 11.160 1.00 0.00 H new ATOM 0 HD22 ASN A 104 79.751 -5.669 11.149 1.00 0.00 H new ATOM 1652 N LEU A 105 77.877 -6.462 5.845 1.00 0.00 N ATOM 1653 CA LEU A 105 76.903 -5.831 4.903 1.00 0.00 C ATOM 1654 C LEU A 105 75.491 -5.874 5.494 1.00 0.00 C ATOM 1655 O LEU A 105 75.026 -6.909 5.933 1.00 0.00 O ATOM 1656 CB LEU A 105 76.974 -6.675 3.627 1.00 0.00 C ATOM 1657 CG LEU A 105 78.363 -6.546 2.995 1.00 0.00 C ATOM 1658 CD1 LEU A 105 78.520 -7.589 1.888 1.00 0.00 C ATOM 1659 CD2 LEU A 105 78.524 -5.145 2.398 1.00 0.00 C ATOM 0 H LEU A 105 77.872 -7.482 5.850 1.00 0.00 H new ATOM 0 HA LEU A 105 77.137 -4.784 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 105 76.766 -7.719 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 105 76.211 -6.347 2.921 1.00 0.00 H new ATOM 0 HG LEU A 105 79.124 -6.708 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 105 79.509 -7.497 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 105 78.405 -8.587 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 105 77.758 -7.427 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 105 79.512 -5.053 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 105 77.762 -4.985 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 105 78.412 -4.399 3.185 1.00 0.00 H new ATOM 1671 N GLU A 106 74.810 -4.752 5.507 1.00 0.00 N ATOM 1672 CA GLU A 106 73.411 -4.722 6.046 1.00 0.00 C ATOM 1673 C GLU A 106 72.470 -5.492 5.116 1.00 0.00 C ATOM 1674 O GLU A 106 71.526 -6.120 5.560 1.00 0.00 O ATOM 1675 CB GLU A 106 73.023 -3.240 6.091 1.00 0.00 C ATOM 1676 CG GLU A 106 73.879 -2.518 7.134 1.00 0.00 C ATOM 1677 CD GLU A 106 73.437 -1.058 7.235 1.00 0.00 C ATOM 1678 OE1 GLU A 106 72.781 -0.723 8.208 1.00 0.00 O ATOM 1679 OE2 GLU A 106 73.761 -0.297 6.337 1.00 0.00 O ATOM 0 H GLU A 106 75.162 -3.856 5.168 1.00 0.00 H new ATOM 0 HA GLU A 106 73.343 -5.188 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 106 73.166 -2.786 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 106 71.966 -3.137 6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 106 73.779 -3.007 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 106 74.932 -2.572 6.856 1.00 0.00 H new ATOM 1686 N LYS A 107 72.724 -5.446 3.831 1.00 0.00 N ATOM 1687 CA LYS A 107 71.849 -6.169 2.856 1.00 0.00 C ATOM 1688 C LYS A 107 72.455 -7.534 2.515 1.00 0.00 C ATOM 1689 O LYS A 107 73.578 -7.830 2.877 1.00 0.00 O ATOM 1690 CB LYS A 107 71.806 -5.274 1.612 1.00 0.00 C ATOM 1691 CG LYS A 107 71.132 -3.942 1.953 1.00 0.00 C ATOM 1692 CD LYS A 107 69.637 -4.168 2.197 1.00 0.00 C ATOM 1693 CE LYS A 107 68.939 -2.817 2.379 1.00 0.00 C ATOM 1694 NZ LYS A 107 68.677 -2.331 0.995 1.00 0.00 N ATOM 0 H LYS A 107 73.503 -4.937 3.414 1.00 0.00 H new ATOM 0 HA LYS A 107 70.852 -6.353 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 107 72.817 -5.097 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 107 71.260 -5.774 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 107 71.593 -3.506 2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 107 71.274 -3.232 1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 107 69.198 -4.706 1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 107 69.492 -4.787 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 107 68.012 -2.924 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 107 69.568 -2.118 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 68.840 -1.305 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 69.317 -2.812 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 67.691 -2.536 0.736 1.00 0.00 H new ATOM 1708 N PHE A 108 71.714 -8.365 1.818 1.00 0.00 N ATOM 1709 CA PHE A 108 72.234 -9.724 1.453 1.00 0.00 C ATOM 1710 C PHE A 108 73.449 -9.602 0.527 1.00 0.00 C ATOM 1711 O PHE A 108 74.389 -10.371 0.621 1.00 0.00 O ATOM 1712 CB PHE A 108 71.080 -10.421 0.727 1.00 0.00 C ATOM 1713 CG PHE A 108 69.890 -10.702 1.616 1.00 0.00 C ATOM 1714 CD1 PHE A 108 69.858 -11.879 2.403 1.00 0.00 C ATOM 1715 CD2 PHE A 108 68.809 -9.789 1.661 1.00 0.00 C ATOM 1716 CE1 PHE A 108 68.744 -12.143 3.236 1.00 0.00 C ATOM 1717 CE2 PHE A 108 67.694 -10.054 2.495 1.00 0.00 C ATOM 1718 CZ PHE A 108 67.662 -11.231 3.282 1.00 0.00 C ATOM 0 H PHE A 108 70.771 -8.161 1.486 1.00 0.00 H new ATOM 0 HA PHE A 108 72.558 -10.282 2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 108 70.760 -9.800 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 108 71.440 -11.360 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 108 70.683 -12.575 2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 108 68.834 -8.892 1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 108 68.720 -13.040 3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 108 66.869 -9.358 2.530 1.00 0.00 H new ATOM 0 HZ PHE A 108 66.812 -11.433 3.917 1.00 0.00 H new ATOM 1728 N ASP A 109 73.434 -8.640 -0.364 1.00 0.00 N ATOM 1729 CA ASP A 109 74.594 -8.442 -1.286 1.00 0.00 C ATOM 1730 C ASP A 109 74.727 -6.964 -1.671 1.00 0.00 C ATOM 1731 O ASP A 109 75.203 -6.638 -2.743 1.00 0.00 O ATOM 1732 CB ASP A 109 74.269 -9.291 -2.516 1.00 0.00 C ATOM 1733 CG ASP A 109 75.493 -9.355 -3.432 1.00 0.00 C ATOM 1734 OD1 ASP A 109 76.358 -10.177 -3.174 1.00 0.00 O ATOM 1735 OD2 ASP A 109 75.544 -8.583 -4.374 1.00 0.00 O ATOM 0 H ASP A 109 72.665 -7.982 -0.492 1.00 0.00 H new ATOM 0 HA ASP A 109 75.539 -8.732 -0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 109 73.978 -10.296 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 109 73.422 -8.863 -3.053 1.00 0.00 H new ATOM 1740 N LYS A 110 74.310 -6.065 -0.800 1.00 0.00 N ATOM 1741 CA LYS A 110 74.403 -4.591 -1.092 1.00 0.00 C ATOM 1742 C LYS A 110 73.766 -4.255 -2.450 1.00 0.00 C ATOM 1743 O LYS A 110 74.427 -4.267 -3.473 1.00 0.00 O ATOM 1744 CB LYS A 110 75.901 -4.268 -1.100 1.00 0.00 C ATOM 1745 CG LYS A 110 76.098 -2.751 -1.140 1.00 0.00 C ATOM 1746 CD LYS A 110 77.594 -2.432 -1.204 1.00 0.00 C ATOM 1747 CE LYS A 110 77.798 -0.920 -1.086 1.00 0.00 C ATOM 1748 NZ LYS A 110 77.762 -0.639 0.376 1.00 0.00 N ATOM 0 H LYS A 110 73.906 -6.293 0.108 1.00 0.00 H new ATOM 0 HA LYS A 110 73.866 -4.002 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 110 76.378 -4.684 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 110 76.378 -4.730 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 110 75.588 -2.330 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 110 75.655 -2.293 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 110 78.121 -2.945 -0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 110 78.014 -2.794 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 110 78.749 -0.615 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 110 77.015 -0.374 -1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 77.224 0.234 0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 77.304 -1.431 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 78.733 -0.524 0.731 1.00 0.00 H new ATOM 1762 N LYS A 111 72.490 -3.957 -2.459 1.00 0.00 N ATOM 1763 CA LYS A 111 71.803 -3.606 -3.741 1.00 0.00 C ATOM 1764 C LYS A 111 71.818 -2.089 -3.948 1.00 0.00 C ATOM 1765 O LYS A 111 71.435 -1.332 -3.074 1.00 0.00 O ATOM 1766 CB LYS A 111 70.369 -4.112 -3.577 1.00 0.00 C ATOM 1767 CG LYS A 111 69.640 -4.024 -4.921 1.00 0.00 C ATOM 1768 CD LYS A 111 68.237 -4.619 -4.781 1.00 0.00 C ATOM 1769 CE LYS A 111 67.356 -3.671 -3.964 1.00 0.00 C ATOM 1770 NZ LYS A 111 65.967 -4.171 -4.160 1.00 0.00 N ATOM 0 H LYS A 111 71.893 -3.942 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 111 72.293 -4.051 -4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 111 70.374 -5.142 -3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 111 69.846 -3.518 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 111 69.575 -2.985 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 111 70.200 -4.562 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 111 67.799 -4.780 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 111 68.291 -5.592 -4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 111 67.635 -3.683 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 111 67.458 -2.642 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 65.304 -3.571 -3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 65.727 -4.142 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 65.899 -5.150 -3.816 1.00 0.00 H new ATOM 1784 N GLN A 112 72.260 -1.643 -5.100 1.00 0.00 N ATOM 1785 CA GLN A 112 72.313 -0.174 -5.376 1.00 0.00 C ATOM 1786 C GLN A 112 71.444 0.168 -6.590 1.00 0.00 C ATOM 1787 O GLN A 112 71.315 -0.618 -7.510 1.00 0.00 O ATOM 1788 CB GLN A 112 73.785 0.123 -5.670 1.00 0.00 C ATOM 1789 CG GLN A 112 74.616 -0.095 -4.403 1.00 0.00 C ATOM 1790 CD GLN A 112 76.093 0.169 -4.707 1.00 0.00 C ATOM 1791 OE1 GLN A 112 76.574 -0.160 -5.773 1.00 0.00 O ATOM 1792 NE2 GLN A 112 76.836 0.754 -3.808 1.00 0.00 N ATOM 0 H GLN A 112 72.587 -2.236 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 112 71.938 0.416 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 112 74.145 -0.525 -6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 112 73.897 1.150 -6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 112 74.272 0.571 -3.611 1.00 0.00 H new ATOM 0 HG3 GLN A 112 74.485 -1.115 -4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 112 76.432 1.030 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 112 77.821 0.935 -4.000 1.00 0.00 H new ATOM 1801 N VAL A 113 70.850 1.338 -6.594 1.00 0.00 N ATOM 1802 CA VAL A 113 69.998 1.752 -7.759 1.00 0.00 C ATOM 1803 C VAL A 113 70.869 2.068 -8.986 1.00 0.00 C ATOM 1804 O VAL A 113 70.412 1.987 -10.111 1.00 0.00 O ATOM 1805 CB VAL A 113 69.219 3.002 -7.302 1.00 0.00 C ATOM 1806 CG1 VAL A 113 68.310 2.637 -6.126 1.00 0.00 C ATOM 1807 CG2 VAL A 113 70.185 4.115 -6.865 1.00 0.00 C ATOM 0 H VAL A 113 70.917 2.025 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 113 69.319 0.952 -8.055 1.00 0.00 H new ATOM 0 HB VAL A 113 68.621 3.362 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 113 67.760 3.521 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 113 67.606 1.865 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 113 68.916 2.265 -5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 113 69.615 4.988 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 113 70.798 3.760 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 113 70.828 4.388 -7.702 1.00 0.00 H new ATOM 1817 N PHE A 114 72.116 2.426 -8.776 1.00 0.00 N ATOM 1818 CA PHE A 114 73.018 2.760 -9.930 1.00 0.00 C ATOM 1819 C PHE A 114 73.208 1.539 -10.837 1.00 0.00 C ATOM 1820 O PHE A 114 73.245 1.658 -12.048 1.00 0.00 O ATOM 1821 CB PHE A 114 74.351 3.167 -9.299 1.00 0.00 C ATOM 1822 CG PHE A 114 75.366 3.664 -10.303 1.00 0.00 C ATOM 1823 CD1 PHE A 114 75.349 5.019 -10.716 1.00 0.00 C ATOM 1824 CD2 PHE A 114 76.333 2.775 -10.831 1.00 0.00 C ATOM 1825 CE1 PHE A 114 76.300 5.484 -11.657 1.00 0.00 C ATOM 1826 CE2 PHE A 114 77.284 3.241 -11.772 1.00 0.00 C ATOM 1827 CZ PHE A 114 77.267 4.594 -12.185 1.00 0.00 C ATOM 0 H PHE A 114 72.549 2.502 -7.855 1.00 0.00 H new ATOM 0 HA PHE A 114 72.602 3.554 -10.551 1.00 0.00 H new ATOM 0 HB2 PHE A 114 74.171 3.947 -8.560 1.00 0.00 H new ATOM 0 HB3 PHE A 114 74.767 2.313 -8.766 1.00 0.00 H new ATOM 0 HD1 PHE A 114 74.611 5.697 -10.313 1.00 0.00 H new ATOM 0 HD2 PHE A 114 76.346 1.742 -10.517 1.00 0.00 H new ATOM 0 HE1 PHE A 114 76.288 6.517 -11.972 1.00 0.00 H new ATOM 0 HE2 PHE A 114 78.022 2.563 -12.174 1.00 0.00 H new ATOM 0 HZ PHE A 114 77.992 4.948 -12.903 1.00 0.00 H new ATOM 1837 N ALA A 115 73.329 0.369 -10.256 1.00 0.00 N ATOM 1838 CA ALA A 115 73.527 -0.866 -11.078 1.00 0.00 C ATOM 1839 C ALA A 115 72.172 -1.457 -11.480 1.00 0.00 C ATOM 1840 O ALA A 115 71.569 -2.207 -10.736 1.00 0.00 O ATOM 1841 CB ALA A 115 74.289 -1.835 -10.170 1.00 0.00 C ATOM 0 H ALA A 115 73.299 0.216 -9.248 1.00 0.00 H new ATOM 0 HA ALA A 115 74.071 -0.663 -12.000 1.00 0.00 H new ATOM 0 HB1 ALA A 115 74.472 -2.767 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 115 75.241 -1.390 -9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 115 73.697 -2.039 -9.277 1.00 0.00 H new ATOM 1847 N GLU A 116 71.694 -1.119 -12.655 1.00 0.00 N ATOM 1848 CA GLU A 116 70.380 -1.664 -13.124 1.00 0.00 C ATOM 1849 C GLU A 116 70.500 -3.166 -13.404 1.00 0.00 C ATOM 1850 O GLU A 116 69.571 -3.921 -13.186 1.00 0.00 O ATOM 1851 CB GLU A 116 70.059 -0.901 -14.414 1.00 0.00 C ATOM 1852 CG GLU A 116 68.635 -1.233 -14.869 1.00 0.00 C ATOM 1853 CD GLU A 116 68.362 -0.577 -16.225 1.00 0.00 C ATOM 1854 OE1 GLU A 116 67.282 -0.035 -16.390 1.00 0.00 O ATOM 1855 OE2 GLU A 116 69.236 -0.629 -17.075 1.00 0.00 O ATOM 0 H GLU A 116 72.158 -0.489 -13.309 1.00 0.00 H new ATOM 0 HA GLU A 116 69.596 -1.540 -12.377 1.00 0.00 H new ATOM 0 HB2 GLU A 116 70.157 0.172 -14.247 1.00 0.00 H new ATOM 0 HB3 GLU A 116 70.772 -1.169 -15.194 1.00 0.00 H new ATOM 0 HG2 GLU A 116 68.509 -2.313 -14.945 1.00 0.00 H new ATOM 0 HG3 GLU A 116 67.915 -0.879 -14.131 1.00 0.00 H new ATOM 1862 N PHE A 117 71.640 -3.598 -13.886 1.00 0.00 N ATOM 1863 CA PHE A 117 71.832 -5.046 -14.201 1.00 0.00 C ATOM 1864 C PHE A 117 72.733 -5.703 -13.151 1.00 0.00 C ATOM 1865 O PHE A 117 73.595 -5.063 -12.576 1.00 0.00 O ATOM 1866 CB PHE A 117 72.505 -5.067 -15.573 1.00 0.00 C ATOM 1867 CG PHE A 117 72.675 -6.458 -16.139 1.00 0.00 C ATOM 1868 CD1 PHE A 117 71.612 -7.068 -16.848 1.00 0.00 C ATOM 1869 CD2 PHE A 117 73.898 -7.150 -15.961 1.00 0.00 C ATOM 1870 CE1 PHE A 117 71.771 -8.372 -17.379 1.00 0.00 C ATOM 1871 CE2 PHE A 117 74.057 -8.454 -16.491 1.00 0.00 C ATOM 1872 CZ PHE A 117 72.994 -9.065 -17.201 1.00 0.00 C ATOM 0 H PHE A 117 72.449 -3.006 -14.075 1.00 0.00 H new ATOM 0 HA PHE A 117 70.891 -5.596 -14.200 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.914 -4.470 -16.268 1.00 0.00 H new ATOM 0 HB3 PHE A 117 73.483 -4.592 -15.497 1.00 0.00 H new ATOM 0 HD1 PHE A 117 70.680 -6.539 -16.984 1.00 0.00 H new ATOM 0 HD2 PHE A 117 74.709 -6.684 -15.421 1.00 0.00 H new ATOM 0 HE1 PHE A 117 70.960 -8.838 -17.919 1.00 0.00 H new ATOM 0 HE2 PHE A 117 74.989 -8.983 -16.354 1.00 0.00 H new ATOM 0 HZ PHE A 117 73.116 -10.059 -17.606 1.00 0.00 H new ATOM 1882 N ARG A 118 72.539 -6.975 -12.902 1.00 0.00 N ATOM 1883 CA ARG A 118 73.376 -7.689 -11.887 1.00 0.00 C ATOM 1884 C ARG A 118 73.767 -9.080 -12.402 1.00 0.00 C ATOM 1885 O ARG A 118 73.128 -9.625 -13.283 1.00 0.00 O ATOM 1886 CB ARG A 118 72.495 -7.789 -10.629 1.00 0.00 C ATOM 1887 CG ARG A 118 71.212 -8.574 -10.931 1.00 0.00 C ATOM 1888 CD ARG A 118 70.255 -8.470 -9.740 1.00 0.00 C ATOM 1889 NE ARG A 118 69.099 -9.362 -10.078 1.00 0.00 N ATOM 1890 CZ ARG A 118 68.254 -9.775 -9.151 1.00 0.00 C ATOM 1891 NH1 ARG A 118 68.382 -9.417 -7.892 1.00 0.00 N ATOM 1892 NH2 ARG A 118 67.266 -10.554 -9.493 1.00 0.00 N ATOM 0 H ARG A 118 71.834 -7.552 -13.360 1.00 0.00 H new ATOM 0 HA ARG A 118 74.308 -7.163 -11.678 1.00 0.00 H new ATOM 0 HB2 ARG A 118 73.049 -8.280 -9.829 1.00 0.00 H new ATOM 0 HB3 ARG A 118 72.242 -6.790 -10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 118 70.736 -8.181 -11.829 1.00 0.00 H new ATOM 0 HG3 ARG A 118 71.451 -9.619 -11.129 1.00 0.00 H new ATOM 0 HD2 ARG A 118 70.740 -8.789 -8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 118 69.927 -7.442 -9.589 1.00 0.00 H new ATOM 0 HE ARG A 118 68.962 -9.656 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 118 69.149 -8.805 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 118 67.715 -9.751 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 118 67.153 -10.837 -10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 118 66.606 -10.880 -8.787 1.00 0.00 H new ATOM 1906 N GLU A 119 74.813 -9.651 -11.854 1.00 0.00 N ATOM 1907 CA GLU A 119 75.266 -11.002 -12.311 1.00 0.00 C ATOM 1908 C GLU A 119 74.755 -12.092 -11.362 1.00 0.00 C ATOM 1909 O GLU A 119 75.383 -13.124 -11.203 1.00 0.00 O ATOM 1910 CB GLU A 119 76.794 -10.938 -12.282 1.00 0.00 C ATOM 1911 CG GLU A 119 77.288 -9.956 -13.346 1.00 0.00 C ATOM 1912 CD GLU A 119 78.817 -9.953 -13.367 1.00 0.00 C ATOM 1913 OE1 GLU A 119 79.379 -10.531 -14.285 1.00 0.00 O ATOM 1914 OE2 GLU A 119 79.403 -9.374 -12.467 1.00 0.00 O ATOM 0 H GLU A 119 75.373 -9.238 -11.108 1.00 0.00 H new ATOM 0 HA GLU A 119 74.885 -11.247 -13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 119 77.136 -10.624 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 119 77.213 -11.928 -12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 119 76.901 -10.239 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU A 119 76.915 -8.954 -13.133 1.00 0.00 H new ATOM 1921 N LYS A 120 73.626 -11.871 -10.733 1.00 0.00 N ATOM 1922 CA LYS A 120 73.074 -12.890 -9.786 1.00 0.00 C ATOM 1923 C LYS A 120 72.132 -13.843 -10.527 1.00 0.00 C ATOM 1924 O LYS A 120 71.271 -13.417 -11.276 1.00 0.00 O ATOM 1925 CB LYS A 120 72.308 -12.086 -8.734 1.00 0.00 C ATOM 1926 CG LYS A 120 71.904 -13.007 -7.581 1.00 0.00 C ATOM 1927 CD LYS A 120 73.130 -13.315 -6.718 1.00 0.00 C ATOM 1928 CE LYS A 120 72.713 -14.179 -5.526 1.00 0.00 C ATOM 1929 NZ LYS A 120 72.697 -15.573 -6.050 1.00 0.00 N ATOM 0 H LYS A 120 73.062 -11.027 -10.835 1.00 0.00 H new ATOM 0 HA LYS A 120 73.856 -13.502 -9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 120 72.928 -11.271 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 120 71.422 -11.635 -9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 120 71.131 -12.532 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 120 71.480 -13.932 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 120 73.884 -13.834 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 120 73.583 -12.388 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 120 73.415 -14.076 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 120 71.732 -13.887 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 72.503 -16.234 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 71.956 -15.663 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 73.621 -15.796 -6.471 1.00 0.00 H new ATOM 1943 N ASP A 121 72.292 -15.128 -10.321 1.00 0.00 N ATOM 1944 CA ASP A 121 71.411 -16.122 -11.007 1.00 0.00 C ATOM 1945 C ASP A 121 70.365 -16.665 -10.029 1.00 0.00 C ATOM 1946 O ASP A 121 69.188 -16.474 -10.285 1.00 0.00 O ATOM 1947 CB ASP A 121 72.353 -17.238 -11.461 1.00 0.00 C ATOM 1948 CG ASP A 121 71.602 -18.200 -12.385 1.00 0.00 C ATOM 1949 OD1 ASP A 121 71.763 -19.398 -12.217 1.00 0.00 O ATOM 1950 OD2 ASP A 121 70.882 -17.722 -13.247 1.00 0.00 O ATOM 1951 OXT ASP A 121 70.761 -17.262 -9.042 1.00 0.00 O ATOM 0 H ASP A 121 72.998 -15.531 -9.705 1.00 0.00 H new ATOM 0 HA ASP A 121 70.866 -15.684 -11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 121 73.212 -16.814 -11.982 1.00 0.00 H new ATOM 0 HB3 ASP A 121 72.739 -17.776 -10.595 1.00 0.00 H new TER 1956 ASP A 121