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 17 ASN : amide:sc= 0.431 K(o=1.4,f=-7.7!) USER MOD Set 1.2: A 19 SER OG : rot -81:sc= 0.983 USER MOD Single : A 1 MET CE :methyl -174:sc= -1.35 (180deg=-1.45) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.8!) USER MOD Single : A 16 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.777 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0016 USER MOD Single : A 32 ASN : amide:sc= -0.0463 X(o=-0.046,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 41 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.2) USER MOD Single : A 43 SER OG : rot 71:sc= 0.278 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= -0.832 (180deg=-0.842) USER MOD Single : A 46 SER OG : rot 7:sc= 0.66 USER MOD Single : A 49 THR OG1 : rot -83:sc= 0.155 USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0395) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.01) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.45) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) 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=-0.013) 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 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.693 K(o=-0.69,f=-1.6) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0621) 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 K(o=0,f=-0.7) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 124:sc= -0.171 (180deg=-1.02) USER MOD Single : A 95 CYS SG : rot 180:sc= 0.0327 USER MOD Single : A 104 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.73) USER MOD Single : A 107 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0191) USER MOD Single : A 110 LYS NZ :NH3+ -175:sc= 0.257 (180deg=0.229) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 120 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0944) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 121.372 10.661 -10.650 1.00 0.00 N ATOM 2 CA GLY A -3 122.004 11.131 -9.384 1.00 0.00 C ATOM 3 C GLY A -3 120.956 11.840 -8.523 1.00 0.00 C ATOM 4 O GLY A -3 120.634 12.993 -8.750 1.00 0.00 O ATOM 0 H1 GLY A -3 122.084 10.179 -11.235 1.00 0.00 H new ATOM 0 H2 GLY A -3 120.601 9.999 -10.428 1.00 0.00 H new ATOM 0 H3 GLY A -3 120.990 11.476 -11.171 1.00 0.00 H new ATOM 0 HA2 GLY A -3 122.426 10.286 -8.840 1.00 0.00 H new ATOM 0 HA3 GLY A -3 122.827 11.810 -9.606 1.00 0.00 H new ATOM 10 N ALA A -2 120.426 11.158 -7.537 1.00 0.00 N ATOM 11 CA ALA A -2 119.395 11.780 -6.652 1.00 0.00 C ATOM 12 C ALA A -2 120.013 12.150 -5.300 1.00 0.00 C ATOM 13 O ALA A -2 120.946 11.516 -4.843 1.00 0.00 O ATOM 14 CB ALA A -2 118.323 10.705 -6.475 1.00 0.00 C ATOM 0 H ALA A -2 120.665 10.193 -7.307 1.00 0.00 H new ATOM 0 HA ALA A -2 118.986 12.697 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A -2 117.528 11.086 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A -2 117.910 10.440 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A -2 118.766 9.821 -6.016 1.00 0.00 H new ATOM 20 N MET A -1 119.497 13.174 -4.661 1.00 0.00 N ATOM 21 CA MET A -1 120.051 13.601 -3.334 1.00 0.00 C ATOM 22 C MET A -1 119.841 12.501 -2.287 1.00 0.00 C ATOM 23 O MET A -1 120.665 12.304 -1.412 1.00 0.00 O ATOM 24 CB MET A -1 119.268 14.860 -2.950 1.00 0.00 C ATOM 25 CG MET A -1 119.614 15.993 -3.918 1.00 0.00 C ATOM 26 SD MET A -1 118.794 17.515 -3.384 1.00 0.00 S ATOM 27 CE MET A -1 119.319 18.554 -4.769 1.00 0.00 C ATOM 0 H MET A -1 118.715 13.734 -5.001 1.00 0.00 H new ATOM 0 HA MET A -1 121.123 13.791 -3.386 1.00 0.00 H new ATOM 0 HB2 MET A -1 118.197 14.658 -2.978 1.00 0.00 H new ATOM 0 HB3 MET A -1 119.510 15.154 -1.929 1.00 0.00 H new ATOM 0 HG2 MET A -1 120.693 16.141 -3.950 1.00 0.00 H new ATOM 0 HG3 MET A -1 119.298 15.732 -4.928 1.00 0.00 H new ATOM 0 HE1 MET A -1 118.917 19.559 -4.642 1.00 0.00 H new ATOM 0 HE2 MET A -1 120.408 18.599 -4.798 1.00 0.00 H new ATOM 0 HE3 MET A -1 118.949 18.130 -5.703 1.00 0.00 H new ATOM 37 N GLY A 0 118.745 11.789 -2.375 1.00 0.00 N ATOM 38 CA GLY A 0 118.473 10.694 -1.396 1.00 0.00 C ATOM 39 C GLY A 0 116.992 10.312 -1.452 1.00 0.00 C ATOM 40 O GLY A 0 116.123 11.160 -1.374 1.00 0.00 O ATOM 0 H GLY A 0 118.025 11.920 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 0 119.092 9.826 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 0 118.738 11.018 -0.390 1.00 0.00 H new ATOM 44 N MET A 1 116.703 9.039 -1.586 1.00 0.00 N ATOM 45 CA MET A 1 115.280 8.584 -1.639 1.00 0.00 C ATOM 46 C MET A 1 115.047 7.463 -0.623 1.00 0.00 C ATOM 47 O MET A 1 115.969 6.772 -0.228 1.00 0.00 O ATOM 48 CB MET A 1 115.080 8.065 -3.064 1.00 0.00 C ATOM 49 CG MET A 1 115.174 9.229 -4.053 1.00 0.00 C ATOM 50 SD MET A 1 114.741 8.648 -5.711 1.00 0.00 S ATOM 51 CE MET A 1 112.960 8.481 -5.434 1.00 0.00 C ATOM 0 H MET A 1 117.396 8.294 -1.661 1.00 0.00 H new ATOM 0 HA MET A 1 114.582 9.385 -1.396 1.00 0.00 H new ATOM 0 HB2 MET A 1 115.835 7.314 -3.298 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.109 7.578 -3.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.502 10.032 -3.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.183 9.640 -4.052 1.00 0.00 H new ATOM 0 HE1 MET A 1 112.497 8.027 -6.310 1.00 0.00 H new ATOM 0 HE2 MET A 1 112.785 7.850 -4.563 1.00 0.00 H new ATOM 0 HE3 MET A 1 112.525 9.465 -5.262 1.00 0.00 H new ATOM 61 N SER A 2 113.819 7.282 -0.198 1.00 0.00 N ATOM 62 CA SER A 2 113.509 6.204 0.793 1.00 0.00 C ATOM 63 C SER A 2 112.493 5.221 0.204 1.00 0.00 C ATOM 64 O SER A 2 111.696 5.575 -0.645 1.00 0.00 O ATOM 65 CB SER A 2 112.915 6.933 1.998 1.00 0.00 C ATOM 66 OG SER A 2 113.844 7.901 2.466 1.00 0.00 O ATOM 0 H SER A 2 113.016 7.836 -0.496 1.00 0.00 H new ATOM 0 HA SER A 2 114.392 5.624 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 2 111.978 7.416 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.684 6.221 2.790 1.00 0.00 H new ATOM 0 HG SER A 2 113.465 8.372 3.238 1.00 0.00 H new ATOM 72 N VAL A 3 112.521 3.989 0.652 1.00 0.00 N ATOM 73 CA VAL A 3 111.573 2.958 0.110 1.00 0.00 C ATOM 74 C VAL A 3 110.129 3.308 0.500 1.00 0.00 C ATOM 75 O VAL A 3 109.195 2.998 -0.218 1.00 0.00 O ATOM 76 CB VAL A 3 112.004 1.623 0.745 1.00 0.00 C ATOM 77 CG1 VAL A 3 111.097 0.490 0.250 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.452 1.308 0.354 1.00 0.00 C ATOM 0 H VAL A 3 113.160 3.650 1.371 1.00 0.00 H new ATOM 0 HA VAL A 3 111.604 2.908 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 3 111.924 1.708 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 3 111.409 -0.451 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 3 110.065 0.702 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 3 111.172 0.412 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.753 0.363 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.528 1.233 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 3 114.106 2.104 0.709 1.00 0.00 H new ATOM 88 N ALA A 4 109.942 3.948 1.631 1.00 0.00 N ATOM 89 CA ALA A 4 108.554 4.274 2.103 1.00 0.00 C ATOM 90 C ALA A 4 107.840 5.189 1.099 1.00 0.00 C ATOM 91 O ALA A 4 106.635 5.127 0.943 1.00 0.00 O ATOM 92 CB ALA A 4 108.736 4.994 3.442 1.00 0.00 C ATOM 0 H ALA A 4 110.691 4.260 2.249 1.00 0.00 H new ATOM 0 HA ALA A 4 107.943 3.376 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.760 5.263 3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 4 109.250 4.336 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.328 5.897 3.292 1.00 0.00 H new ATOM 98 N ASP A 5 108.579 6.036 0.421 1.00 0.00 N ATOM 99 CA ASP A 5 107.952 6.950 -0.591 1.00 0.00 C ATOM 100 C ASP A 5 107.348 6.140 -1.744 1.00 0.00 C ATOM 101 O ASP A 5 106.288 6.462 -2.247 1.00 0.00 O ATOM 102 CB ASP A 5 109.091 7.838 -1.102 1.00 0.00 C ATOM 103 CG ASP A 5 109.430 8.891 -0.046 1.00 0.00 C ATOM 104 OD1 ASP A 5 110.277 8.615 0.787 1.00 0.00 O ATOM 105 OD2 ASP A 5 108.837 9.957 -0.088 1.00 0.00 O ATOM 0 H ASP A 5 109.589 6.135 0.524 1.00 0.00 H new ATOM 0 HA ASP A 5 107.143 7.538 -0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 5 109.970 7.231 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 5 108.799 8.323 -2.033 1.00 0.00 H new ATOM 110 N PHE A 6 108.018 5.092 -2.161 1.00 0.00 N ATOM 111 CA PHE A 6 107.482 4.247 -3.278 1.00 0.00 C ATOM 112 C PHE A 6 106.236 3.486 -2.813 1.00 0.00 C ATOM 113 O PHE A 6 105.323 3.251 -3.583 1.00 0.00 O ATOM 114 CB PHE A 6 108.607 3.272 -3.632 1.00 0.00 C ATOM 115 CG PHE A 6 109.832 3.949 -4.200 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.866 4.384 -3.334 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.948 4.151 -5.597 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.014 5.019 -3.866 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.096 4.787 -6.129 1.00 0.00 C ATOM 120 CZ PHE A 6 112.129 5.221 -5.262 1.00 0.00 C ATOM 0 H PHE A 6 108.912 4.785 -1.777 1.00 0.00 H new ATOM 0 HA PHE A 6 107.188 4.848 -4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 6 108.890 2.716 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.234 2.546 -4.355 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.778 4.231 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.160 3.820 -6.257 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.803 5.349 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.184 4.941 -7.194 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.005 5.706 -5.667 1.00 0.00 H new ATOM 130 N TYR A 7 106.196 3.101 -1.558 1.00 0.00 N ATOM 131 CA TYR A 7 104.986 2.400 -1.019 1.00 0.00 C ATOM 132 C TYR A 7 103.805 3.374 -0.954 1.00 0.00 C ATOM 133 O TYR A 7 103.925 4.471 -0.440 1.00 0.00 O ATOM 134 CB TYR A 7 105.377 1.931 0.387 1.00 0.00 C ATOM 135 CG TYR A 7 105.986 0.543 0.432 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.882 0.118 -0.584 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.665 -0.329 1.500 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.453 -1.176 -0.527 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.235 -1.625 1.554 1.00 0.00 C ATOM 140 CZ TYR A 7 107.129 -2.047 0.541 1.00 0.00 C ATOM 141 OH TYR A 7 107.689 -3.307 0.599 1.00 0.00 O ATOM 0 H TYR A 7 106.949 3.242 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 7 104.680 1.564 -1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.087 2.641 0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.492 1.948 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.128 0.782 -1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 7 104.985 -0.006 2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.136 -1.499 -1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 7 105.987 -2.291 2.368 1.00 0.00 H new ATOM 0 HH TYR A 7 107.362 -3.774 1.396 1.00 0.00 H new ATOM 151 N GLY A 8 102.670 2.975 -1.472 1.00 0.00 N ATOM 152 CA GLY A 8 101.493 3.895 -1.515 1.00 0.00 C ATOM 153 C GLY A 8 101.564 4.804 -2.755 1.00 0.00 C ATOM 154 O GLY A 8 100.688 5.623 -2.971 1.00 0.00 O ATOM 0 H GLY A 8 102.508 2.049 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.571 3.314 -1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.467 4.504 -0.611 1.00 0.00 H new ATOM 158 N SER A 9 102.590 4.671 -3.570 1.00 0.00 N ATOM 159 CA SER A 9 102.697 5.526 -4.794 1.00 0.00 C ATOM 160 C SER A 9 101.952 4.872 -5.960 1.00 0.00 C ATOM 161 O SER A 9 101.933 3.662 -6.091 1.00 0.00 O ATOM 162 CB SER A 9 104.194 5.611 -5.096 1.00 0.00 C ATOM 163 OG SER A 9 104.404 6.503 -6.183 1.00 0.00 O ATOM 0 H SER A 9 103.354 4.008 -3.438 1.00 0.00 H new ATOM 0 HA SER A 9 102.257 6.512 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.735 5.958 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.584 4.623 -5.341 1.00 0.00 H new ATOM 0 HG SER A 9 105.363 6.561 -6.378 1.00 0.00 H new ATOM 169 N ASN A 10 101.339 5.665 -6.805 1.00 0.00 N ATOM 170 CA ASN A 10 100.626 5.098 -7.991 1.00 0.00 C ATOM 171 C ASN A 10 101.557 5.090 -9.205 1.00 0.00 C ATOM 172 O ASN A 10 101.961 6.129 -9.698 1.00 0.00 O ATOM 173 CB ASN A 10 99.440 6.032 -8.230 1.00 0.00 C ATOM 174 CG ASN A 10 98.400 5.329 -9.108 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.745 4.570 -9.993 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.131 5.550 -8.897 1.00 0.00 N ATOM 0 H ASN A 10 101.302 6.681 -6.724 1.00 0.00 H new ATOM 0 HA ASN A 10 100.303 4.070 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.993 6.319 -7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.778 6.949 -8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.430 5.086 -9.474 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.841 6.187 -8.155 1.00 0.00 H new ATOM 183 N VAL A 11 101.895 3.922 -9.687 1.00 0.00 N ATOM 184 CA VAL A 11 102.781 3.817 -10.886 1.00 0.00 C ATOM 185 C VAL A 11 102.147 2.874 -11.913 1.00 0.00 C ATOM 186 O VAL A 11 101.265 2.102 -11.586 1.00 0.00 O ATOM 187 CB VAL A 11 104.117 3.250 -10.373 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.753 4.242 -9.397 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.893 1.911 -9.655 1.00 0.00 C ATOM 0 H VAL A 11 101.593 3.029 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 11 102.927 4.780 -11.376 1.00 0.00 H new ATOM 0 HB VAL A 11 104.777 3.090 -11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.699 3.840 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.933 5.189 -9.906 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.081 4.405 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.848 1.525 -9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.223 2.060 -8.808 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.448 1.197 -10.348 1.00 0.00 H new ATOM 199 N GLU A 12 102.586 2.930 -13.147 1.00 0.00 N ATOM 200 CA GLU A 12 102.108 1.942 -14.158 1.00 0.00 C ATOM 201 C GLU A 12 103.296 1.130 -14.680 1.00 0.00 C ATOM 202 O GLU A 12 104.397 1.629 -14.794 1.00 0.00 O ATOM 203 CB GLU A 12 101.484 2.787 -15.275 1.00 0.00 C ATOM 204 CG GLU A 12 100.937 1.874 -16.382 1.00 0.00 C ATOM 205 CD GLU A 12 100.190 2.715 -17.421 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.685 3.776 -17.766 1.00 0.00 O ATOM 207 OE2 GLU A 12 99.134 2.284 -17.853 1.00 0.00 O ATOM 0 H GLU A 12 103.254 3.617 -13.495 1.00 0.00 H new ATOM 0 HA GLU A 12 101.390 1.231 -13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.681 3.403 -14.871 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.230 3.466 -15.688 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.755 1.333 -16.858 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.267 1.128 -15.954 1.00 0.00 H new ATOM 214 N VAL A 13 103.078 -0.121 -14.990 1.00 0.00 N ATOM 215 CA VAL A 13 104.176 -0.960 -15.556 1.00 0.00 C ATOM 216 C VAL A 13 103.659 -1.742 -16.762 1.00 0.00 C ATOM 217 O VAL A 13 102.525 -2.187 -16.774 1.00 0.00 O ATOM 218 CB VAL A 13 104.595 -1.907 -14.416 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.457 -2.876 -14.067 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.816 -2.719 -14.853 1.00 0.00 C ATOM 0 H VAL A 13 102.184 -0.599 -14.875 1.00 0.00 H new ATOM 0 HA VAL A 13 105.021 -0.365 -15.903 1.00 0.00 H new ATOM 0 HB VAL A 13 104.832 -1.306 -13.538 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.775 -3.535 -13.259 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.581 -2.310 -13.749 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.205 -3.472 -14.944 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.114 -3.390 -14.047 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.566 -3.304 -15.738 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.639 -2.043 -15.085 1.00 0.00 H new ATOM 230 N LEU A 14 104.472 -1.914 -17.772 1.00 0.00 N ATOM 231 CA LEU A 14 104.094 -2.875 -18.852 1.00 0.00 C ATOM 232 C LEU A 14 104.755 -4.219 -18.587 1.00 0.00 C ATOM 233 O LEU A 14 105.921 -4.287 -18.241 1.00 0.00 O ATOM 234 CB LEU A 14 104.603 -2.313 -20.190 1.00 0.00 C ATOM 235 CG LEU A 14 104.208 -0.837 -20.425 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.054 -0.616 -21.933 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.889 -0.474 -19.725 1.00 0.00 C ATOM 0 H LEU A 14 105.367 -1.440 -17.896 1.00 0.00 H new ATOM 0 HA LEU A 14 103.012 -3.008 -18.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.689 -2.401 -20.223 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.209 -2.921 -21.004 1.00 0.00 H new ATOM 0 HG LEU A 14 104.988 -0.200 -20.007 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.775 0.421 -22.122 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.999 -0.834 -22.431 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.279 -1.277 -22.320 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.651 0.572 -19.917 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.088 -1.105 -20.109 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.992 -0.631 -18.651 1.00 0.00 H new ATOM 249 N LEU A 15 104.021 -5.285 -18.746 1.00 0.00 N ATOM 250 CA LEU A 15 104.628 -6.635 -18.572 1.00 0.00 C ATOM 251 C LEU A 15 105.319 -7.068 -19.869 1.00 0.00 C ATOM 252 O LEU A 15 105.271 -6.376 -20.869 1.00 0.00 O ATOM 253 CB LEU A 15 103.463 -7.574 -18.239 1.00 0.00 C ATOM 254 CG LEU A 15 102.839 -7.170 -16.900 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.528 -7.931 -16.697 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.804 -7.513 -15.762 1.00 0.00 C ATOM 0 H LEU A 15 103.030 -5.281 -18.988 1.00 0.00 H new ATOM 0 HA LEU A 15 105.383 -6.646 -17.786 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.712 -7.532 -19.028 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.816 -8.604 -18.190 1.00 0.00 H new ATOM 0 HG LEU A 15 102.643 -6.098 -16.902 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.084 -7.643 -15.744 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.838 -7.690 -17.506 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.726 -9.003 -16.696 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.360 -7.225 -14.809 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.000 -8.585 -15.762 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.740 -6.973 -15.904 1.00 0.00 H new ATOM 268 N ASN A 16 105.960 -8.211 -19.852 1.00 0.00 N ATOM 269 CA ASN A 16 106.729 -8.687 -21.057 1.00 0.00 C ATOM 270 C ASN A 16 105.828 -8.788 -22.300 1.00 0.00 C ATOM 271 O ASN A 16 106.306 -8.762 -23.419 1.00 0.00 O ATOM 272 CB ASN A 16 107.281 -10.072 -20.675 1.00 0.00 C ATOM 273 CG ASN A 16 106.133 -11.026 -20.315 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.265 -11.283 -21.125 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.095 -11.560 -19.125 1.00 0.00 N ATOM 0 H ASN A 16 105.987 -8.843 -19.052 1.00 0.00 H new ATOM 0 HA ASN A 16 107.524 -7.987 -21.316 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.857 -10.482 -21.505 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.963 -9.978 -19.830 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.336 -12.194 -18.874 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.824 -11.344 -18.445 1.00 0.00 H new ATOM 282 N ASN A 17 104.536 -8.900 -22.109 1.00 0.00 N ATOM 283 CA ASN A 17 103.613 -9.081 -23.273 1.00 0.00 C ATOM 284 C ASN A 17 102.957 -7.748 -23.673 1.00 0.00 C ATOM 285 O ASN A 17 101.888 -7.735 -24.254 1.00 0.00 O ATOM 286 CB ASN A 17 102.558 -10.096 -22.797 1.00 0.00 C ATOM 287 CG ASN A 17 101.757 -9.542 -21.606 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.171 -8.601 -20.960 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.619 -10.098 -21.291 1.00 0.00 N ATOM 0 H ASN A 17 104.080 -8.874 -21.197 1.00 0.00 H new ATOM 0 HA ASN A 17 104.143 -9.432 -24.158 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.880 -10.333 -23.617 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.047 -11.027 -22.509 1.00 0.00 H new ATOM 0 HD21 ASN A 17 100.078 -9.742 -20.503 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.270 -10.889 -21.833 1.00 0.00 H new ATOM 296 N ASP A 18 103.585 -6.622 -23.365 1.00 0.00 N ATOM 297 CA ASP A 18 103.052 -5.286 -23.805 1.00 0.00 C ATOM 298 C ASP A 18 101.623 -5.074 -23.284 1.00 0.00 C ATOM 299 O ASP A 18 100.850 -4.336 -23.867 1.00 0.00 O ATOM 300 CB ASP A 18 103.073 -5.300 -25.341 1.00 0.00 C ATOM 301 CG ASP A 18 104.520 -5.304 -25.836 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.313 -6.052 -25.286 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.813 -4.559 -26.756 1.00 0.00 O ATOM 0 H ASP A 18 104.449 -6.577 -22.824 1.00 0.00 H new ATOM 0 HA ASP A 18 103.657 -4.470 -23.409 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.548 -6.180 -25.714 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.548 -4.427 -25.730 1.00 0.00 H new ATOM 308 N SER A 19 101.271 -5.717 -22.192 1.00 0.00 N ATOM 309 CA SER A 19 99.982 -5.400 -21.514 1.00 0.00 C ATOM 310 C SER A 19 100.251 -4.420 -20.374 1.00 0.00 C ATOM 311 O SER A 19 101.162 -4.612 -19.590 1.00 0.00 O ATOM 312 CB SER A 19 99.469 -6.736 -20.975 1.00 0.00 C ATOM 313 OG SER A 19 100.323 -7.182 -19.929 1.00 0.00 O ATOM 0 H SER A 19 101.825 -6.447 -21.745 1.00 0.00 H new ATOM 0 HA SER A 19 99.252 -4.940 -22.180 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.450 -6.624 -20.605 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.438 -7.476 -21.775 1.00 0.00 H new ATOM 0 HG SER A 19 101.117 -7.608 -20.314 1.00 0.00 H new ATOM 319 N LYS A 20 99.469 -3.376 -20.273 1.00 0.00 N ATOM 320 CA LYS A 20 99.810 -2.276 -19.318 1.00 0.00 C ATOM 321 C LYS A 20 98.828 -2.266 -18.143 1.00 0.00 C ATOM 322 O LYS A 20 97.633 -2.414 -18.318 1.00 0.00 O ATOM 323 CB LYS A 20 99.677 -0.966 -20.119 1.00 0.00 C ATOM 324 CG LYS A 20 100.304 -1.103 -21.516 1.00 0.00 C ATOM 325 CD LYS A 20 100.360 0.270 -22.189 1.00 0.00 C ATOM 326 CE LYS A 20 100.834 0.111 -23.635 1.00 0.00 C ATOM 327 NZ LYS A 20 101.299 1.468 -24.037 1.00 0.00 N ATOM 0 H LYS A 20 98.612 -3.237 -20.808 1.00 0.00 H new ATOM 0 HA LYS A 20 100.812 -2.403 -18.908 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.624 -0.700 -20.214 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.163 -0.154 -19.577 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.307 -1.522 -21.436 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.718 -1.793 -22.123 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.376 0.738 -22.167 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.037 0.927 -21.643 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.639 -0.620 -23.709 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.027 -0.237 -24.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.640 1.441 -25.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.510 2.141 -23.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 102.072 1.770 -23.410 1.00 0.00 H new ATOM 341 N ALA A 21 99.334 -2.090 -16.946 1.00 0.00 N ATOM 342 CA ALA A 21 98.442 -1.973 -15.751 1.00 0.00 C ATOM 343 C ALA A 21 99.001 -0.930 -14.779 1.00 0.00 C ATOM 344 O ALA A 21 100.201 -0.752 -14.677 1.00 0.00 O ATOM 345 CB ALA A 21 98.451 -3.362 -15.112 1.00 0.00 C ATOM 0 H ALA A 21 100.332 -2.022 -16.745 1.00 0.00 H new ATOM 0 HA ALA A 21 97.434 -1.654 -16.016 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.817 -3.359 -14.225 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.072 -4.093 -15.826 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.470 -3.625 -14.829 1.00 0.00 H new ATOM 351 N ARG A 22 98.141 -0.242 -14.065 1.00 0.00 N ATOM 352 CA ARG A 22 98.619 0.812 -13.114 1.00 0.00 C ATOM 353 C ARG A 22 97.813 0.772 -11.814 1.00 0.00 C ATOM 354 O ARG A 22 96.655 0.398 -11.806 1.00 0.00 O ATOM 355 CB ARG A 22 98.415 2.150 -13.846 1.00 0.00 C ATOM 356 CG ARG A 22 96.933 2.353 -14.193 1.00 0.00 C ATOM 357 CD ARG A 22 96.786 3.568 -15.112 1.00 0.00 C ATOM 358 NE ARG A 22 95.311 3.760 -15.273 1.00 0.00 N ATOM 359 CZ ARG A 22 94.594 2.984 -16.065 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.138 1.996 -16.738 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.312 3.201 -16.178 1.00 0.00 N ATOM 0 H ARG A 22 97.129 -0.365 -14.100 1.00 0.00 H new ATOM 0 HA ARG A 22 99.662 0.663 -12.836 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.764 2.971 -13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 22 99.014 2.168 -14.757 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.538 1.463 -14.683 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.352 2.500 -13.282 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.253 4.451 -14.676 1.00 0.00 H new ATOM 0 HD3 ARG A 22 97.268 3.395 -16.074 1.00 0.00 H new ATOM 0 HE ARG A 22 94.848 4.509 -14.758 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.138 1.813 -16.656 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.560 1.412 -17.343 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.876 3.962 -15.658 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.746 2.609 -16.786 1.00 0.00 H new ATOM 375 N GLY A 23 98.422 1.155 -10.719 1.00 0.00 N ATOM 376 CA GLY A 23 97.702 1.156 -9.410 1.00 0.00 C ATOM 377 C GLY A 23 98.657 1.618 -8.308 1.00 0.00 C ATOM 378 O GLY A 23 99.772 2.023 -8.579 1.00 0.00 O ATOM 0 H GLY A 23 99.392 1.468 -10.677 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.837 1.817 -9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.327 0.157 -9.187 1.00 0.00 H new ATOM 382 N VAL A 24 98.231 1.556 -7.070 1.00 0.00 N ATOM 383 CA VAL A 24 99.099 2.035 -5.946 1.00 0.00 C ATOM 384 C VAL A 24 99.949 0.873 -5.418 1.00 0.00 C ATOM 385 O VAL A 24 99.482 -0.243 -5.305 1.00 0.00 O ATOM 386 CB VAL A 24 98.131 2.542 -4.863 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.926 3.107 -3.681 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.242 3.651 -5.438 1.00 0.00 C ATOM 0 H VAL A 24 97.320 1.195 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 24 99.786 2.821 -6.259 1.00 0.00 H new ATOM 0 HB VAL A 24 97.511 1.710 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.236 3.465 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.559 2.325 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.549 3.933 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.559 4.006 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.866 4.477 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.669 3.259 -6.278 1.00 0.00 H new ATOM 398 N ILE A 25 101.190 1.133 -5.099 1.00 0.00 N ATOM 399 CA ILE A 25 102.090 0.042 -4.598 1.00 0.00 C ATOM 400 C ILE A 25 101.823 -0.215 -3.109 1.00 0.00 C ATOM 401 O ILE A 25 101.625 0.708 -2.340 1.00 0.00 O ATOM 402 CB ILE A 25 103.521 0.568 -4.827 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.769 0.718 -6.333 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.557 -0.399 -4.231 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.015 1.576 -6.565 1.00 0.00 C ATOM 0 H ILE A 25 101.623 2.054 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 25 101.928 -0.906 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 25 103.624 1.534 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.900 -0.263 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.904 1.178 -6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.560 -0.009 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.386 -0.500 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.460 -1.375 -4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.190 1.682 -7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.866 2.561 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.878 1.097 -6.102 1.00 0.00 H new ATOM 417 N THR A 26 101.816 -1.465 -2.703 1.00 0.00 N ATOM 418 CA THR A 26 101.546 -1.791 -1.269 1.00 0.00 C ATOM 419 C THR A 26 102.669 -2.645 -0.665 1.00 0.00 C ATOM 420 O THR A 26 103.008 -2.484 0.494 1.00 0.00 O ATOM 421 CB THR A 26 100.230 -2.571 -1.276 1.00 0.00 C ATOM 422 OG1 THR A 26 100.324 -3.650 -2.195 1.00 0.00 O ATOM 423 CG2 THR A 26 99.084 -1.644 -1.687 1.00 0.00 C ATOM 0 H THR A 26 101.986 -2.271 -3.305 1.00 0.00 H new ATOM 0 HA THR A 26 101.491 -0.887 -0.662 1.00 0.00 H new ATOM 0 HB THR A 26 100.035 -2.961 -0.277 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.436 -3.298 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.148 -2.202 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.011 -0.819 -0.978 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.275 -1.249 -2.685 1.00 0.00 H new ATOM 431 N ASN A 27 103.254 -3.548 -1.426 1.00 0.00 N ATOM 432 CA ASN A 27 104.242 -4.496 -0.821 1.00 0.00 C ATOM 433 C ASN A 27 105.450 -4.695 -1.741 1.00 0.00 C ATOM 434 O ASN A 27 105.338 -4.628 -2.950 1.00 0.00 O ATOM 435 CB ASN A 27 103.476 -5.810 -0.657 1.00 0.00 C ATOM 436 CG ASN A 27 104.296 -6.777 0.201 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.875 -7.715 -0.308 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.368 -6.585 1.489 1.00 0.00 N ATOM 0 H ASN A 27 103.090 -3.666 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 27 104.634 -4.121 0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.509 -5.623 -0.190 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.278 -6.252 -1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.911 -7.223 2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.881 -5.797 1.915 1.00 0.00 H new ATOM 445 N PHE A 28 106.601 -4.935 -1.163 1.00 0.00 N ATOM 446 CA PHE A 28 107.807 -5.291 -1.971 1.00 0.00 C ATOM 447 C PHE A 28 108.715 -6.218 -1.158 1.00 0.00 C ATOM 448 O PHE A 28 109.027 -5.943 -0.014 1.00 0.00 O ATOM 449 CB PHE A 28 108.505 -3.963 -2.257 1.00 0.00 C ATOM 450 CG PHE A 28 109.629 -4.080 -3.261 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.336 -4.342 -4.621 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.972 -3.927 -2.842 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.387 -4.452 -5.563 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.024 -4.037 -3.784 1.00 0.00 C ATOM 455 CZ PHE A 28 111.732 -4.299 -5.145 1.00 0.00 C ATOM 0 H PHE A 28 106.757 -4.899 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 28 107.554 -5.815 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.771 -3.247 -2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.901 -3.561 -1.324 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.311 -4.458 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.195 -3.726 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.163 -4.653 -6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.049 -3.921 -3.464 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.534 -4.382 -5.864 1.00 0.00 H new ATOM 465 N ASP A 29 109.138 -7.311 -1.742 1.00 0.00 N ATOM 466 CA ASP A 29 109.966 -8.302 -0.992 1.00 0.00 C ATOM 467 C ASP A 29 111.305 -8.510 -1.702 1.00 0.00 C ATOM 468 O ASP A 29 111.346 -8.886 -2.857 1.00 0.00 O ATOM 469 CB ASP A 29 109.146 -9.593 -1.004 1.00 0.00 C ATOM 470 CG ASP A 29 109.790 -10.622 -0.070 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.179 -10.241 1.022 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.885 -11.772 -0.465 1.00 0.00 O ATOM 0 H ASP A 29 108.944 -7.560 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 29 110.190 -7.972 0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.124 -9.389 -0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.091 -9.991 -2.017 1.00 0.00 H new ATOM 477 N SER A 30 112.395 -8.267 -1.016 1.00 0.00 N ATOM 478 CA SER A 30 113.743 -8.428 -1.650 1.00 0.00 C ATOM 479 C SER A 30 114.068 -9.911 -1.875 1.00 0.00 C ATOM 480 O SER A 30 114.833 -10.254 -2.758 1.00 0.00 O ATOM 481 CB SER A 30 114.734 -7.811 -0.661 1.00 0.00 C ATOM 482 OG SER A 30 114.782 -8.609 0.515 1.00 0.00 O ATOM 0 H SER A 30 112.410 -7.963 -0.042 1.00 0.00 H new ATOM 0 HA SER A 30 113.786 -7.946 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.724 -7.748 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.432 -6.794 -0.412 1.00 0.00 H new ATOM 0 HG SER A 30 115.417 -8.218 1.150 1.00 0.00 H new ATOM 488 N SER A 31 113.493 -10.791 -1.086 1.00 0.00 N ATOM 489 CA SER A 31 113.822 -12.253 -1.207 1.00 0.00 C ATOM 490 C SER A 31 113.440 -12.783 -2.594 1.00 0.00 C ATOM 491 O SER A 31 114.225 -13.447 -3.248 1.00 0.00 O ATOM 492 CB SER A 31 112.993 -12.947 -0.126 1.00 0.00 C ATOM 493 OG SER A 31 113.267 -12.348 1.134 1.00 0.00 O ATOM 0 H SER A 31 112.810 -10.562 -0.364 1.00 0.00 H new ATOM 0 HA SER A 31 114.889 -12.436 -1.083 1.00 0.00 H new ATOM 0 HB2 SER A 31 111.931 -12.865 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.231 -14.010 -0.096 1.00 0.00 H new ATOM 0 HG SER A 31 112.736 -12.790 1.829 1.00 0.00 H new ATOM 499 N ASN A 32 112.243 -12.496 -3.045 1.00 0.00 N ATOM 500 CA ASN A 32 111.803 -12.975 -4.395 1.00 0.00 C ATOM 501 C ASN A 32 111.350 -11.803 -5.282 1.00 0.00 C ATOM 502 O ASN A 32 110.800 -12.011 -6.348 1.00 0.00 O ATOM 503 CB ASN A 32 110.628 -13.914 -4.116 1.00 0.00 C ATOM 504 CG ASN A 32 111.131 -15.164 -3.391 1.00 0.00 C ATOM 505 OD1 ASN A 32 110.623 -15.521 -2.347 1.00 0.00 O ATOM 506 ND2 ASN A 32 112.114 -15.850 -3.906 1.00 0.00 N ATOM 0 H ASN A 32 111.549 -11.949 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 32 112.615 -13.469 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.879 -13.405 -3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.143 -14.194 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 32 112.456 -16.686 -3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 32 112.541 -15.550 -4.783 1.00 0.00 H new ATOM 513 N SER A 33 111.578 -10.572 -4.858 1.00 0.00 N ATOM 514 CA SER A 33 111.140 -9.375 -5.659 1.00 0.00 C ATOM 515 C SER A 33 109.655 -9.485 -6.048 1.00 0.00 C ATOM 516 O SER A 33 109.312 -9.625 -7.209 1.00 0.00 O ATOM 517 CB SER A 33 112.035 -9.366 -6.904 1.00 0.00 C ATOM 518 OG SER A 33 113.386 -9.582 -6.513 1.00 0.00 O ATOM 0 H SER A 33 112.053 -10.347 -3.984 1.00 0.00 H new ATOM 0 HA SER A 33 111.237 -8.452 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.717 -10.142 -7.600 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.943 -8.413 -7.425 1.00 0.00 H new ATOM 0 HG SER A 33 113.961 -9.579 -7.307 1.00 0.00 H new ATOM 524 N ILE A 34 108.775 -9.421 -5.076 1.00 0.00 N ATOM 525 CA ILE A 34 107.311 -9.534 -5.370 1.00 0.00 C ATOM 526 C ILE A 34 106.612 -8.214 -5.022 1.00 0.00 C ATOM 527 O ILE A 34 106.824 -7.653 -3.963 1.00 0.00 O ATOM 528 CB ILE A 34 106.793 -10.679 -4.479 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.606 -11.971 -4.725 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.311 -10.940 -4.777 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.484 -12.442 -6.186 1.00 0.00 C ATOM 0 H ILE A 34 109.008 -9.295 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 34 107.116 -9.737 -6.423 1.00 0.00 H new ATOM 0 HB ILE A 34 106.909 -10.385 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.654 -11.794 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.254 -12.757 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.950 -11.751 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.735 -10.037 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.194 -11.218 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.067 -13.352 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.438 -12.643 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.860 -11.665 -6.851 1.00 0.00 H new ATOM 543 N LEU A 35 105.782 -7.722 -5.908 1.00 0.00 N ATOM 544 CA LEU A 35 105.158 -6.377 -5.706 1.00 0.00 C ATOM 545 C LEU A 35 103.633 -6.486 -5.766 1.00 0.00 C ATOM 546 O LEU A 35 103.076 -6.947 -6.744 1.00 0.00 O ATOM 547 CB LEU A 35 105.685 -5.535 -6.871 1.00 0.00 C ATOM 548 CG LEU A 35 105.221 -4.082 -6.722 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.204 -3.314 -5.837 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.161 -3.427 -8.105 1.00 0.00 C ATOM 0 H LEU A 35 105.508 -8.197 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 35 105.402 -5.942 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.774 -5.576 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.328 -5.944 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 35 104.233 -4.062 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.870 -2.281 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.249 -3.781 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.194 -3.332 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.831 -2.393 -8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.151 -3.449 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.458 -3.972 -8.735 1.00 0.00 H new ATOM 562 N GLN A 36 102.963 -6.063 -4.725 1.00 0.00 N ATOM 563 CA GLN A 36 101.471 -6.025 -4.753 1.00 0.00 C ATOM 564 C GLN A 36 100.996 -4.611 -5.091 1.00 0.00 C ATOM 565 O GLN A 36 101.418 -3.645 -4.479 1.00 0.00 O ATOM 566 CB GLN A 36 101.032 -6.418 -3.342 1.00 0.00 C ATOM 567 CG GLN A 36 101.327 -7.900 -3.112 1.00 0.00 C ATOM 568 CD GLN A 36 100.881 -8.298 -1.702 1.00 0.00 C ATOM 569 OE1 GLN A 36 99.870 -7.831 -1.217 1.00 0.00 O ATOM 570 NE2 GLN A 36 101.599 -9.149 -1.021 1.00 0.00 N ATOM 0 H GLN A 36 103.387 -5.742 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 36 101.052 -6.694 -5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.558 -5.813 -2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.967 -6.224 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.805 -8.505 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.393 -8.093 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 36 102.448 -9.541 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 36 101.311 -9.422 -0.081 1.00 0.00 H new ATOM 579 N LEU A 37 100.123 -4.489 -6.062 1.00 0.00 N ATOM 580 CA LEU A 37 99.569 -3.149 -6.417 1.00 0.00 C ATOM 581 C LEU A 37 98.089 -3.080 -6.033 1.00 0.00 C ATOM 582 O LEU A 37 97.280 -3.851 -6.515 1.00 0.00 O ATOM 583 CB LEU A 37 99.729 -3.033 -7.935 1.00 0.00 C ATOM 584 CG LEU A 37 101.214 -2.961 -8.297 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.387 -3.241 -9.791 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.752 -1.563 -7.979 1.00 0.00 C ATOM 0 H LEU A 37 99.771 -5.264 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 37 100.080 -2.341 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.267 -3.890 -8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.214 -2.143 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 37 101.764 -3.703 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.444 -3.190 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.004 -4.235 -10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.836 -2.497 -10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.810 -1.513 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.202 -0.821 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.628 -1.359 -6.916 1.00 0.00 H new ATOM 598 N ARG A 38 97.737 -2.161 -5.171 1.00 0.00 N ATOM 599 CA ARG A 38 96.300 -1.984 -4.801 1.00 0.00 C ATOM 600 C ARG A 38 95.687 -0.855 -5.635 1.00 0.00 C ATOM 601 O ARG A 38 96.189 0.253 -5.655 1.00 0.00 O ATOM 602 CB ARG A 38 96.311 -1.616 -3.315 1.00 0.00 C ATOM 603 CG ARG A 38 94.877 -1.583 -2.782 1.00 0.00 C ATOM 604 CD ARG A 38 94.883 -1.115 -1.324 1.00 0.00 C ATOM 605 NE ARG A 38 93.457 -1.201 -0.871 1.00 0.00 N ATOM 606 CZ ARG A 38 93.038 -0.570 0.208 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.852 0.155 0.944 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.785 -0.671 0.559 1.00 0.00 N ATOM 0 H ARG A 38 98.384 -1.524 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 38 95.707 -2.880 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.901 -2.342 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.784 -0.644 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.268 -0.912 -3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.428 -2.574 -2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.528 -1.745 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.261 -0.096 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 38 92.796 -1.760 -1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.835 0.240 0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.500 0.632 1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.143 -1.233 0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.448 -0.188 1.392 1.00 0.00 H new ATOM 622 N LEU A 39 94.607 -1.133 -6.322 1.00 0.00 N ATOM 623 CA LEU A 39 94.025 -0.125 -7.259 1.00 0.00 C ATOM 624 C LEU A 39 92.804 0.560 -6.634 1.00 0.00 C ATOM 625 O LEU A 39 92.112 -0.012 -5.808 1.00 0.00 O ATOM 626 CB LEU A 39 93.633 -0.931 -8.502 1.00 0.00 C ATOM 627 CG LEU A 39 93.275 0.008 -9.665 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.470 0.898 -10.018 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.917 -0.835 -10.886 1.00 0.00 C ATOM 0 H LEU A 39 94.102 -2.018 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 39 94.727 0.674 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.456 -1.583 -8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.784 -1.574 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 39 92.435 0.636 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.201 1.557 -10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.747 1.497 -9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.314 0.274 -10.312 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.661 -0.179 -11.718 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.769 -1.456 -11.162 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.065 -1.473 -10.651 1.00 0.00 H new ATOM 641 N ALA A 40 92.540 1.783 -7.037 1.00 0.00 N ATOM 642 CA ALA A 40 91.460 2.598 -6.381 1.00 0.00 C ATOM 643 C ALA A 40 90.070 1.965 -6.569 1.00 0.00 C ATOM 644 O ALA A 40 89.109 2.400 -5.962 1.00 0.00 O ATOM 645 CB ALA A 40 91.514 3.964 -7.070 1.00 0.00 C ATOM 0 H ALA A 40 93.029 2.256 -7.797 1.00 0.00 H new ATOM 0 HA ALA A 40 91.620 2.663 -5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.752 4.617 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.498 4.408 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.330 3.841 -8.137 1.00 0.00 H new ATOM 651 N ASN A 41 89.948 0.951 -7.397 1.00 0.00 N ATOM 652 CA ASN A 41 88.636 0.239 -7.537 1.00 0.00 C ATOM 653 C ASN A 41 88.478 -0.850 -6.457 1.00 0.00 C ATOM 654 O ASN A 41 87.842 -1.861 -6.691 1.00 0.00 O ATOM 655 CB ASN A 41 88.680 -0.399 -8.929 1.00 0.00 C ATOM 656 CG ASN A 41 87.264 -0.784 -9.360 1.00 0.00 C ATOM 657 OD1 ASN A 41 86.320 -0.066 -9.099 1.00 0.00 O ATOM 658 ND2 ASN A 41 87.074 -1.896 -10.016 1.00 0.00 N ATOM 0 H ASN A 41 90.701 0.587 -7.981 1.00 0.00 H new ATOM 0 HA ASN A 41 87.794 0.920 -7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.113 0.298 -9.646 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.320 -1.281 -8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 41 86.134 -2.161 -10.309 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.866 -2.500 -10.236 1.00 0.00 H new ATOM 665 N ASP A 42 89.054 -0.662 -5.276 1.00 0.00 N ATOM 666 CA ASP A 42 88.885 -1.653 -4.156 1.00 0.00 C ATOM 667 C ASP A 42 89.368 -3.042 -4.592 1.00 0.00 C ATOM 668 O ASP A 42 88.878 -4.050 -4.115 1.00 0.00 O ATOM 669 CB ASP A 42 87.382 -1.681 -3.829 1.00 0.00 C ATOM 670 CG ASP A 42 86.936 -0.303 -3.330 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.669 0.295 -2.560 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.865 0.129 -3.726 1.00 0.00 O ATOM 0 H ASP A 42 89.636 0.143 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 42 89.473 -1.369 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.812 -1.959 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.179 -2.436 -3.070 1.00 0.00 H new ATOM 677 N SER A 43 90.324 -3.103 -5.496 1.00 0.00 N ATOM 678 CA SER A 43 90.867 -4.427 -5.929 1.00 0.00 C ATOM 679 C SER A 43 92.380 -4.476 -5.697 1.00 0.00 C ATOM 680 O SER A 43 93.083 -3.514 -5.941 1.00 0.00 O ATOM 681 CB SER A 43 90.548 -4.519 -7.420 1.00 0.00 C ATOM 682 OG SER A 43 89.138 -4.483 -7.602 1.00 0.00 O ATOM 0 H SER A 43 90.747 -2.293 -5.949 1.00 0.00 H new ATOM 0 HA SER A 43 90.432 -5.256 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.017 -3.693 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 43 90.956 -5.441 -7.835 1.00 0.00 H new ATOM 0 HG SER A 43 88.806 -3.581 -7.411 1.00 0.00 H new ATOM 688 N THR A 44 92.881 -5.593 -5.228 1.00 0.00 N ATOM 689 CA THR A 44 94.351 -5.723 -4.982 1.00 0.00 C ATOM 690 C THR A 44 94.883 -7.010 -5.624 1.00 0.00 C ATOM 691 O THR A 44 94.229 -8.038 -5.602 1.00 0.00 O ATOM 692 CB THR A 44 94.507 -5.758 -3.452 1.00 0.00 C ATOM 693 OG1 THR A 44 95.885 -5.867 -3.122 1.00 0.00 O ATOM 694 CG2 THR A 44 93.742 -6.950 -2.858 1.00 0.00 C ATOM 0 H THR A 44 92.333 -6.423 -5.004 1.00 0.00 H new ATOM 0 HA THR A 44 94.918 -4.901 -5.419 1.00 0.00 H new ATOM 0 HB THR A 44 94.097 -4.838 -3.036 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.987 -5.888 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.864 -6.958 -1.775 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.684 -6.862 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.134 -7.878 -3.274 1.00 0.00 H new ATOM 702 N LYS A 45 96.062 -6.957 -6.192 1.00 0.00 N ATOM 703 CA LYS A 45 96.631 -8.164 -6.867 1.00 0.00 C ATOM 704 C LYS A 45 98.146 -8.225 -6.659 1.00 0.00 C ATOM 705 O LYS A 45 98.822 -7.212 -6.672 1.00 0.00 O ATOM 706 CB LYS A 45 96.297 -7.981 -8.348 1.00 0.00 C ATOM 707 CG LYS A 45 96.541 -9.297 -9.092 1.00 0.00 C ATOM 708 CD LYS A 45 96.017 -9.179 -10.524 1.00 0.00 C ATOM 709 CE LYS A 45 96.965 -8.303 -11.348 1.00 0.00 C ATOM 710 NZ LYS A 45 98.015 -9.234 -11.844 1.00 0.00 N ATOM 0 H LYS A 45 96.656 -6.128 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 45 96.222 -9.092 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.258 -7.673 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 45 96.912 -7.189 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.606 -9.530 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.040 -10.117 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.936 -10.168 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.016 -8.747 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.441 -7.823 -12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 45 97.397 -7.508 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 98.731 -8.699 -12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 98.467 -9.709 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 97.582 -9.946 -12.467 1.00 0.00 H new ATOM 724 N SER A 46 98.680 -9.407 -6.467 1.00 0.00 N ATOM 725 CA SER A 46 100.153 -9.548 -6.260 1.00 0.00 C ATOM 726 C SER A 46 100.838 -9.931 -7.574 1.00 0.00 C ATOM 727 O SER A 46 100.465 -10.894 -8.218 1.00 0.00 O ATOM 728 CB SER A 46 100.303 -10.668 -5.231 1.00 0.00 C ATOM 729 OG SER A 46 99.883 -11.897 -5.809 1.00 0.00 O ATOM 0 H SER A 46 98.156 -10.282 -6.445 1.00 0.00 H new ATOM 0 HA SER A 46 100.613 -8.619 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.341 -10.742 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.706 -10.447 -4.346 1.00 0.00 H new ATOM 0 HG SER A 46 99.704 -11.765 -6.764 1.00 0.00 H new ATOM 735 N ILE A 47 101.837 -9.180 -7.974 1.00 0.00 N ATOM 736 CA ILE A 47 102.571 -9.500 -9.238 1.00 0.00 C ATOM 737 C ILE A 47 104.077 -9.535 -8.957 1.00 0.00 C ATOM 738 O ILE A 47 104.614 -8.649 -8.319 1.00 0.00 O ATOM 739 CB ILE A 47 102.222 -8.363 -10.214 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.705 -8.322 -10.446 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.924 -8.598 -11.557 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.331 -7.025 -11.167 1.00 0.00 C ATOM 0 H ILE A 47 102.176 -8.356 -7.477 1.00 0.00 H new ATOM 0 HA ILE A 47 102.294 -10.471 -9.649 1.00 0.00 H new ATOM 0 HB ILE A 47 102.554 -7.417 -9.785 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.394 -9.182 -11.039 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.179 -8.385 -9.493 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.674 -7.790 -12.245 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.003 -8.623 -11.404 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.595 -9.548 -11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.254 -6.997 -11.331 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.627 -6.171 -10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.845 -6.981 -12.127 1.00 0.00 H new ATOM 754 N VAL A 48 104.756 -10.551 -9.428 1.00 0.00 N ATOM 755 CA VAL A 48 106.235 -10.630 -9.213 1.00 0.00 C ATOM 756 C VAL A 48 106.939 -9.675 -10.184 1.00 0.00 C ATOM 757 O VAL A 48 106.593 -9.597 -11.346 1.00 0.00 O ATOM 758 CB VAL A 48 106.634 -12.090 -9.492 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.123 -12.289 -9.173 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.785 -13.048 -8.633 1.00 0.00 C ATOM 0 H VAL A 48 104.352 -11.328 -9.951 1.00 0.00 H new ATOM 0 HA VAL A 48 106.520 -10.342 -8.201 1.00 0.00 H new ATOM 0 HB VAL A 48 106.456 -12.310 -10.545 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.403 -13.324 -9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.721 -11.625 -9.798 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.304 -12.059 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.077 -14.078 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.947 -12.830 -7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.730 -12.915 -8.874 1.00 0.00 H new ATOM 770 N THR A 49 107.921 -8.952 -9.711 1.00 0.00 N ATOM 771 CA THR A 49 108.550 -7.877 -10.548 1.00 0.00 C ATOM 772 C THR A 49 109.248 -8.465 -11.780 1.00 0.00 C ATOM 773 O THR A 49 109.423 -7.787 -12.776 1.00 0.00 O ATOM 774 CB THR A 49 109.566 -7.179 -9.637 1.00 0.00 C ATOM 775 OG1 THR A 49 110.500 -8.134 -9.155 1.00 0.00 O ATOM 776 CG2 THR A 49 108.843 -6.526 -8.457 1.00 0.00 C ATOM 0 H THR A 49 108.319 -9.058 -8.778 1.00 0.00 H new ATOM 0 HA THR A 49 107.798 -7.183 -10.923 1.00 0.00 H new ATOM 0 HB THR A 49 110.090 -6.409 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.122 -8.599 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.570 -6.032 -7.813 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.129 -5.791 -8.829 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.314 -7.290 -7.887 1.00 0.00 H new ATOM 784 N LYS A 50 109.651 -9.712 -11.726 1.00 0.00 N ATOM 785 CA LYS A 50 110.434 -10.305 -12.864 1.00 0.00 C ATOM 786 C LYS A 50 109.640 -10.226 -14.174 1.00 0.00 C ATOM 787 O LYS A 50 110.212 -10.215 -15.248 1.00 0.00 O ATOM 788 CB LYS A 50 110.686 -11.773 -12.482 1.00 0.00 C ATOM 789 CG LYS A 50 111.555 -11.859 -11.218 1.00 0.00 C ATOM 790 CD LYS A 50 111.656 -13.318 -10.769 1.00 0.00 C ATOM 791 CE LYS A 50 112.401 -13.393 -9.435 1.00 0.00 C ATOM 792 NZ LYS A 50 113.844 -13.325 -9.797 1.00 0.00 N ATOM 0 H LYS A 50 109.474 -10.346 -10.947 1.00 0.00 H new ATOM 0 HA LYS A 50 111.366 -9.763 -13.025 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.736 -12.279 -12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.179 -12.290 -13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.549 -11.459 -11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.122 -11.252 -10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 50 110.659 -13.747 -10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.179 -13.906 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.119 -12.570 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS A 50 112.170 -14.317 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.293 -14.244 -9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.938 -13.095 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.310 -12.588 -9.230 1.00 0.00 H new ATOM 806 N ASP A 51 108.331 -10.170 -14.094 1.00 0.00 N ATOM 807 CA ASP A 51 107.514 -10.001 -15.339 1.00 0.00 C ATOM 808 C ASP A 51 107.334 -8.511 -15.693 1.00 0.00 C ATOM 809 O ASP A 51 106.564 -8.177 -16.575 1.00 0.00 O ATOM 810 CB ASP A 51 106.158 -10.673 -15.055 1.00 0.00 C ATOM 811 CG ASP A 51 105.460 -10.031 -13.847 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.354 -8.817 -13.817 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.038 -10.772 -12.974 1.00 0.00 O ATOM 0 H ASP A 51 107.796 -10.233 -13.228 1.00 0.00 H new ATOM 0 HA ASP A 51 108.008 -10.457 -16.197 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.518 -10.591 -15.933 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.309 -11.736 -14.868 1.00 0.00 H new ATOM 818 N ILE A 52 108.033 -7.617 -15.021 1.00 0.00 N ATOM 819 CA ILE A 52 107.979 -6.170 -15.418 1.00 0.00 C ATOM 820 C ILE A 52 108.849 -5.939 -16.658 1.00 0.00 C ATOM 821 O ILE A 52 110.059 -6.058 -16.606 1.00 0.00 O ATOM 822 CB ILE A 52 108.533 -5.385 -14.212 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.601 -5.575 -13.004 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.639 -3.885 -14.559 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.205 -4.898 -11.767 1.00 0.00 C ATOM 0 H ILE A 52 108.632 -7.826 -14.223 1.00 0.00 H new ATOM 0 HA ILE A 52 106.967 -5.851 -15.667 1.00 0.00 H new ATOM 0 HB ILE A 52 109.526 -5.761 -13.967 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.621 -5.150 -13.220 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.453 -6.638 -12.812 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.031 -3.340 -13.701 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.309 -3.755 -15.409 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.652 -3.500 -14.813 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.539 -5.037 -10.915 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.175 -5.343 -11.546 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.330 -3.833 -11.960 1.00 0.00 H new ATOM 837 N LYS A 53 108.235 -5.612 -17.768 1.00 0.00 N ATOM 838 CA LYS A 53 109.027 -5.187 -18.966 1.00 0.00 C ATOM 839 C LYS A 53 109.413 -3.711 -18.845 1.00 0.00 C ATOM 840 O LYS A 53 110.514 -3.322 -19.192 1.00 0.00 O ATOM 841 CB LYS A 53 108.106 -5.399 -20.168 1.00 0.00 C ATOM 842 CG LYS A 53 108.888 -5.172 -21.464 1.00 0.00 C ATOM 843 CD LYS A 53 107.950 -5.332 -22.662 1.00 0.00 C ATOM 844 CE LYS A 53 108.759 -5.245 -23.958 1.00 0.00 C ATOM 845 NZ LYS A 53 107.952 -5.988 -24.966 1.00 0.00 N ATOM 0 H LYS A 53 107.223 -5.620 -17.897 1.00 0.00 H new ATOM 0 HA LYS A 53 109.951 -5.757 -19.064 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.697 -6.409 -20.151 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.261 -4.712 -20.117 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.329 -4.175 -21.465 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.710 -5.884 -21.535 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.433 -6.290 -22.607 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.185 -4.555 -22.645 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.911 -4.209 -24.260 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.747 -5.690 -23.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.218 -5.676 -25.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 108.133 -7.008 -24.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.941 -5.799 -24.809 1.00 0.00 H new ATOM 859 N ASP A 54 108.515 -2.890 -18.354 1.00 0.00 N ATOM 860 CA ASP A 54 108.779 -1.410 -18.337 1.00 0.00 C ATOM 861 C ASP A 54 108.018 -0.734 -17.193 1.00 0.00 C ATOM 862 O ASP A 54 106.923 -1.132 -16.849 1.00 0.00 O ATOM 863 CB ASP A 54 108.274 -0.894 -19.685 1.00 0.00 C ATOM 864 CG ASP A 54 109.200 -1.376 -20.804 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.402 -1.237 -20.652 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.690 -1.876 -21.793 1.00 0.00 O ATOM 0 H ASP A 54 107.616 -3.175 -17.966 1.00 0.00 H new ATOM 0 HA ASP A 54 109.836 -1.193 -18.183 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.259 -1.248 -19.863 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.235 0.195 -19.676 1.00 0.00 H new ATOM 871 N LEU A 55 108.596 0.291 -16.610 1.00 0.00 N ATOM 872 CA LEU A 55 107.953 0.959 -15.435 1.00 0.00 C ATOM 873 C LEU A 55 107.822 2.470 -15.668 1.00 0.00 C ATOM 874 O LEU A 55 108.677 3.088 -16.274 1.00 0.00 O ATOM 875 CB LEU A 55 108.899 0.699 -14.261 1.00 0.00 C ATOM 876 CG LEU A 55 108.756 -0.748 -13.790 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.048 -1.193 -13.102 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.593 -0.848 -12.797 1.00 0.00 C ATOM 0 H LEU A 55 109.487 0.694 -16.899 1.00 0.00 H new ATOM 0 HA LEU A 55 106.949 0.574 -15.258 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.929 0.893 -14.562 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.673 1.382 -13.442 1.00 0.00 H new ATOM 0 HG LEU A 55 108.561 -1.390 -14.649 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.945 -2.225 -12.767 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.878 -1.121 -13.805 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.243 -0.550 -12.244 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.490 -1.880 -12.460 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.790 -0.204 -11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.671 -0.531 -13.284 1.00 0.00 H new ATOM 890 N ARG A 56 106.752 3.060 -15.190 1.00 0.00 N ATOM 891 CA ARG A 56 106.630 4.550 -15.212 1.00 0.00 C ATOM 892 C ARG A 56 105.814 5.024 -13.999 1.00 0.00 C ATOM 893 O ARG A 56 105.067 4.262 -13.414 1.00 0.00 O ATOM 894 CB ARG A 56 105.915 4.879 -16.535 1.00 0.00 C ATOM 895 CG ARG A 56 104.449 4.408 -16.494 1.00 0.00 C ATOM 896 CD ARG A 56 103.995 3.953 -17.885 1.00 0.00 C ATOM 897 NE ARG A 56 104.102 5.169 -18.756 1.00 0.00 N ATOM 898 CZ ARG A 56 105.105 5.346 -19.600 1.00 0.00 C ATOM 899 NH1 ARG A 56 106.076 4.469 -19.728 1.00 0.00 N ATOM 900 NH2 ARG A 56 105.131 6.427 -20.329 1.00 0.00 N ATOM 0 H ARG A 56 105.955 2.570 -14.784 1.00 0.00 H new ATOM 0 HA ARG A 56 107.596 5.052 -15.153 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.952 5.953 -16.717 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.434 4.397 -17.364 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.344 3.588 -15.784 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.810 5.218 -16.143 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.624 3.145 -18.259 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.973 3.576 -17.861 1.00 0.00 H new ATOM 0 HE ARG A 56 103.377 5.884 -18.696 1.00 0.00 H new ATOM 0 HH11 ARG A 56 106.072 3.618 -19.166 1.00 0.00 H new ATOM 0 HH12 ARG A 56 106.833 4.640 -20.390 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.386 7.118 -20.243 1.00 0.00 H new ATOM 0 HH22 ARG A 56 105.896 6.581 -20.985 1.00 0.00 H new ATOM 914 N ILE A 57 105.954 6.271 -13.623 1.00 0.00 N ATOM 915 CA ILE A 57 105.140 6.815 -12.490 1.00 0.00 C ATOM 916 C ILE A 57 104.168 7.875 -13.021 1.00 0.00 C ATOM 917 O ILE A 57 104.558 8.780 -13.736 1.00 0.00 O ATOM 918 CB ILE A 57 106.154 7.434 -11.511 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.137 6.355 -11.029 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.411 8.010 -10.298 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.336 7.014 -10.337 1.00 0.00 C ATOM 0 H ILE A 57 106.597 6.937 -14.051 1.00 0.00 H new ATOM 0 HA ILE A 57 104.542 6.047 -11.999 1.00 0.00 H new ATOM 0 HB ILE A 57 106.702 8.227 -12.020 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.636 5.676 -10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.477 5.757 -11.874 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.130 8.448 -9.605 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.713 8.778 -10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.862 7.213 -9.796 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.029 6.244 -9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.844 7.675 -11.040 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.989 7.593 -9.481 1.00 0.00 H new ATOM 933 N LEU A 58 102.907 7.766 -12.675 1.00 0.00 N ATOM 934 CA LEU A 58 101.887 8.714 -13.226 1.00 0.00 C ATOM 935 C LEU A 58 101.860 10.003 -12.388 1.00 0.00 C ATOM 936 O LEU A 58 102.240 9.986 -11.232 1.00 0.00 O ATOM 937 CB LEU A 58 100.541 7.983 -13.126 1.00 0.00 C ATOM 938 CG LEU A 58 100.580 6.689 -13.950 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.394 5.804 -13.563 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.501 7.021 -15.442 1.00 0.00 C ATOM 0 H LEU A 58 102.540 7.062 -12.035 1.00 0.00 H new ATOM 0 HA LEU A 58 102.111 8.999 -14.254 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.320 7.753 -12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.740 8.629 -13.486 1.00 0.00 H new ATOM 0 HG LEU A 58 101.513 6.162 -13.748 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.420 4.884 -14.148 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.452 5.561 -12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.463 6.335 -13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.529 6.099 -16.022 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.571 7.551 -15.648 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.346 7.650 -15.720 1.00 0.00 H new ATOM 952 N PRO A 59 101.413 11.087 -12.995 1.00 0.00 N ATOM 953 CA PRO A 59 101.378 12.394 -12.284 1.00 0.00 C ATOM 954 C PRO A 59 100.355 12.356 -11.142 1.00 0.00 C ATOM 955 O PRO A 59 99.173 12.163 -11.363 1.00 0.00 O ATOM 956 CB PRO A 59 100.954 13.393 -13.362 1.00 0.00 C ATOM 957 CG PRO A 59 100.296 12.575 -14.426 1.00 0.00 C ATOM 958 CD PRO A 59 100.906 11.201 -14.373 1.00 0.00 C ATOM 0 HA PRO A 59 102.334 12.653 -11.829 1.00 0.00 H new ATOM 0 HB2 PRO A 59 100.268 14.138 -12.959 1.00 0.00 H new ATOM 0 HB3 PRO A 59 101.814 13.933 -13.757 1.00 0.00 H new ATOM 0 HG2 PRO A 59 99.220 12.524 -14.262 1.00 0.00 H new ATOM 0 HG3 PRO A 59 100.448 13.026 -15.407 1.00 0.00 H new ATOM 0 HD2 PRO A 59 100.169 10.429 -14.592 1.00 0.00 H new ATOM 0 HD3 PRO A 59 101.708 11.092 -15.103 1.00 0.00 H new ATOM 966 N LYS A 60 100.807 12.538 -9.924 1.00 0.00 N ATOM 967 CA LYS A 60 99.867 12.539 -8.756 1.00 0.00 C ATOM 968 C LYS A 60 98.944 13.761 -8.816 1.00 0.00 C ATOM 969 O LYS A 60 97.801 13.704 -8.406 1.00 0.00 O ATOM 970 CB LYS A 60 100.758 12.604 -7.512 1.00 0.00 C ATOM 971 CG LYS A 60 101.569 11.311 -7.393 1.00 0.00 C ATOM 972 CD LYS A 60 102.370 11.329 -6.090 1.00 0.00 C ATOM 973 CE LYS A 60 103.266 10.090 -6.025 1.00 0.00 C ATOM 974 NZ LYS A 60 103.486 9.852 -4.571 1.00 0.00 N ATOM 0 H LYS A 60 101.788 12.686 -9.687 1.00 0.00 H new ATOM 0 HA LYS A 60 99.229 11.656 -8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 60 101.428 13.461 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 60 100.146 12.745 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 60 100.903 10.448 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 60 102.242 11.212 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 60 102.977 12.233 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 60 101.694 11.347 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 60 102.788 9.232 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 60 104.209 10.257 -6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 104.093 9.017 -4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 103.948 10.683 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 102.571 9.690 -4.103 1.00 0.00 H new ATOM 988 N ASN A 61 99.440 14.870 -9.327 1.00 0.00 N ATOM 989 CA ASN A 61 98.616 16.127 -9.419 1.00 0.00 C ATOM 990 C ASN A 61 98.018 16.491 -8.051 1.00 0.00 C ATOM 991 O ASN A 61 96.906 16.979 -7.960 1.00 0.00 O ATOM 992 CB ASN A 61 97.505 15.825 -10.435 1.00 0.00 C ATOM 993 CG ASN A 61 98.122 15.581 -11.814 1.00 0.00 C ATOM 994 OD1 ASN A 61 97.847 14.581 -12.447 1.00 0.00 O ATOM 995 ND2 ASN A 61 98.950 16.460 -12.310 1.00 0.00 N ATOM 0 H ASN A 61 100.390 14.959 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 61 99.222 16.978 -9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 61 96.938 14.949 -10.119 1.00 0.00 H new ATOM 0 HB3 ASN A 61 96.804 16.659 -10.481 1.00 0.00 H new ATOM 0 HD21 ASN A 61 99.366 16.307 -13.229 1.00 0.00 H new ATOM 0 HD22 ASN A 61 99.181 17.300 -11.779 1.00 0.00 H new ATOM 1002 N GLU A 62 98.755 16.253 -6.993 1.00 0.00 N ATOM 1003 CA GLU A 62 98.249 16.595 -5.624 1.00 0.00 C ATOM 1004 C GLU A 62 98.162 18.116 -5.454 1.00 0.00 C ATOM 1005 O GLU A 62 97.297 18.619 -4.759 1.00 0.00 O ATOM 1006 CB GLU A 62 99.276 16.004 -4.651 1.00 0.00 C ATOM 1007 CG GLU A 62 98.750 16.113 -3.218 1.00 0.00 C ATOM 1008 CD GLU A 62 99.826 15.642 -2.237 1.00 0.00 C ATOM 1009 OE1 GLU A 62 100.976 16.006 -2.428 1.00 0.00 O ATOM 1010 OE2 GLU A 62 99.483 14.927 -1.310 1.00 0.00 O ATOM 0 H GLU A 62 99.686 15.836 -7.017 1.00 0.00 H new ATOM 0 HA GLU A 62 97.250 16.197 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 62 99.469 14.960 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 62 100.224 16.534 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 62 98.471 17.144 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 62 97.850 15.509 -3.104 1.00 0.00 H new ATOM 1017 N ILE A 63 99.050 18.847 -6.084 1.00 0.00 N ATOM 1018 CA ILE A 63 99.045 20.344 -5.944 1.00 0.00 C ATOM 1019 C ILE A 63 97.745 20.943 -6.503 1.00 0.00 C ATOM 1020 O ILE A 63 97.320 22.006 -6.090 1.00 0.00 O ATOM 1021 CB ILE A 63 100.267 20.853 -6.736 1.00 0.00 C ATOM 1022 CG1 ILE A 63 100.179 20.415 -8.205 1.00 0.00 C ATOM 1023 CG2 ILE A 63 101.549 20.291 -6.118 1.00 0.00 C ATOM 1024 CD1 ILE A 63 101.200 21.198 -9.032 1.00 0.00 C ATOM 0 H ILE A 63 99.780 18.474 -6.691 1.00 0.00 H new ATOM 0 HA ILE A 63 99.100 20.642 -4.897 1.00 0.00 H new ATOM 0 HB ILE A 63 100.280 21.942 -6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 63 100.371 19.345 -8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 63 99.174 20.590 -8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 63 102.412 20.651 -6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 63 101.627 20.619 -5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 63 101.523 19.202 -6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 63 101.138 20.888 -10.075 1.00 0.00 H new ATOM 0 HD12 ILE A 63 100.987 22.264 -8.958 1.00 0.00 H new ATOM 0 HD13 ILE A 63 102.203 21.001 -8.654 1.00 0.00 H new ATOM 1036 N MET A 64 97.115 20.268 -7.437 1.00 0.00 N ATOM 1037 CA MET A 64 95.836 20.788 -8.012 1.00 0.00 C ATOM 1038 C MET A 64 94.634 20.139 -7.299 1.00 0.00 C ATOM 1039 O MET A 64 94.466 18.937 -7.374 1.00 0.00 O ATOM 1040 CB MET A 64 95.868 20.373 -9.484 1.00 0.00 C ATOM 1041 CG MET A 64 96.728 21.361 -10.274 1.00 0.00 C ATOM 1042 SD MET A 64 96.804 20.844 -12.007 1.00 0.00 S ATOM 1043 CE MET A 64 97.630 22.320 -12.649 1.00 0.00 C ATOM 0 H MET A 64 97.433 19.380 -7.825 1.00 0.00 H new ATOM 0 HA MET A 64 95.736 21.867 -7.893 1.00 0.00 H new ATOM 0 HB2 MET A 64 96.272 19.365 -9.580 1.00 0.00 H new ATOM 0 HB3 MET A 64 94.856 20.351 -9.889 1.00 0.00 H new ATOM 0 HG2 MET A 64 96.308 22.364 -10.201 1.00 0.00 H new ATOM 0 HG3 MET A 64 97.732 21.404 -9.852 1.00 0.00 H new ATOM 0 HE1 MET A 64 97.780 22.215 -13.723 1.00 0.00 H new ATOM 0 HE2 MET A 64 97.013 23.197 -12.453 1.00 0.00 H new ATOM 0 HE3 MET A 64 98.596 22.439 -12.158 1.00 0.00 H new ATOM 1053 N PRO A 65 93.827 20.946 -6.627 1.00 0.00 N ATOM 1054 CA PRO A 65 92.639 20.401 -5.915 1.00 0.00 C ATOM 1055 C PRO A 65 91.610 19.872 -6.921 1.00 0.00 C ATOM 1056 O PRO A 65 90.927 18.897 -6.666 1.00 0.00 O ATOM 1057 CB PRO A 65 92.082 21.599 -5.144 1.00 0.00 C ATOM 1058 CG PRO A 65 92.623 22.805 -5.842 1.00 0.00 C ATOM 1059 CD PRO A 65 93.934 22.408 -6.464 1.00 0.00 C ATOM 0 HA PRO A 65 92.885 19.565 -5.260 1.00 0.00 H new ATOM 0 HB2 PRO A 65 90.992 21.598 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 65 92.396 21.575 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 65 91.926 23.154 -6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 65 92.764 23.626 -5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 65 94.088 22.906 -7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 65 94.776 22.677 -5.826 1.00 0.00 H new ATOM 1067 N LYS A 66 91.498 20.512 -8.060 1.00 0.00 N ATOM 1068 CA LYS A 66 90.515 20.057 -9.092 1.00 0.00 C ATOM 1069 C LYS A 66 91.153 20.101 -10.484 1.00 0.00 C ATOM 1070 O LYS A 66 91.701 21.109 -10.891 1.00 0.00 O ATOM 1071 CB LYS A 66 89.358 21.052 -9.000 1.00 0.00 C ATOM 1072 CG LYS A 66 88.183 20.551 -9.844 1.00 0.00 C ATOM 1073 CD LYS A 66 87.161 21.676 -10.018 1.00 0.00 C ATOM 1074 CE LYS A 66 86.424 21.906 -8.697 1.00 0.00 C ATOM 1075 NZ LYS A 66 85.983 23.329 -8.746 1.00 0.00 N ATOM 0 H LYS A 66 92.047 21.332 -8.320 1.00 0.00 H new ATOM 0 HA LYS A 66 90.185 19.031 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 66 89.049 21.171 -7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 66 89.679 22.033 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 66 88.539 20.215 -10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 66 87.716 19.692 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 66 87.662 22.592 -10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 66 86.450 21.418 -10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 66 85.573 21.232 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 66 87.077 21.724 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 85.469 23.563 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 86.815 23.947 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 85.357 23.471 -9.565 1.00 0.00 H new ATOM 1089 N ASN A 67 91.083 19.012 -11.213 1.00 0.00 N ATOM 1090 CA ASN A 67 91.670 18.981 -12.592 1.00 0.00 C ATOM 1091 C ASN A 67 90.909 19.937 -13.517 1.00 0.00 C ATOM 1092 O ASN A 67 91.488 20.567 -14.383 1.00 0.00 O ATOM 1093 CB ASN A 67 91.512 17.535 -13.072 1.00 0.00 C ATOM 1094 CG ASN A 67 92.355 17.318 -14.329 1.00 0.00 C ATOM 1095 OD1 ASN A 67 93.565 17.424 -14.289 1.00 0.00 O ATOM 1096 ND2 ASN A 67 91.764 17.018 -15.453 1.00 0.00 N ATOM 0 H ASN A 67 90.644 18.142 -10.912 1.00 0.00 H new ATOM 0 HA ASN A 67 92.713 19.296 -12.595 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.824 16.845 -12.288 1.00 0.00 H new ATOM 0 HB3 ASN A 67 90.464 17.324 -13.284 1.00 0.00 H new ATOM 0 HD21 ASN A 67 92.318 16.873 -16.297 1.00 0.00 H new ATOM 0 HD22 ASN A 67 90.748 16.929 -15.487 1.00 0.00 H new ATOM 1103 N GLY A 68 89.614 20.044 -13.336 1.00 0.00 N ATOM 1104 CA GLY A 68 88.799 20.950 -14.200 1.00 0.00 C ATOM 1105 C GLY A 68 87.314 20.638 -14.007 1.00 0.00 C ATOM 1106 O GLY A 68 86.665 21.188 -13.136 1.00 0.00 O ATOM 0 H GLY A 68 89.086 19.540 -12.623 1.00 0.00 H new ATOM 0 HA2 GLY A 68 88.999 21.991 -13.945 1.00 0.00 H new ATOM 0 HA3 GLY A 68 89.076 20.819 -15.246 1.00 0.00 H new ATOM 1110 N THR A 69 86.774 19.758 -14.816 1.00 0.00 N ATOM 1111 CA THR A 69 85.330 19.387 -14.682 1.00 0.00 C ATOM 1112 C THR A 69 85.167 17.861 -14.709 1.00 0.00 C ATOM 1113 O THR A 69 85.985 17.154 -15.271 1.00 0.00 O ATOM 1114 CB THR A 69 84.628 20.042 -15.883 1.00 0.00 C ATOM 1115 OG1 THR A 69 83.238 19.750 -15.830 1.00 0.00 O ATOM 1116 CG2 THR A 69 85.210 19.515 -17.202 1.00 0.00 C ATOM 0 H THR A 69 87.273 19.279 -15.566 1.00 0.00 H new ATOM 0 HA THR A 69 84.903 19.727 -13.739 1.00 0.00 H new ATOM 0 HB THR A 69 84.785 21.120 -15.838 1.00 0.00 H new ATOM 0 HG1 THR A 69 82.787 20.167 -16.593 1.00 0.00 H new ATOM 0 HG21 THR A 69 84.700 19.990 -18.040 1.00 0.00 H new ATOM 0 HG22 THR A 69 86.275 19.744 -17.247 1.00 0.00 H new ATOM 0 HG23 THR A 69 85.069 18.436 -17.256 1.00 0.00 H new ATOM 1124 N LYS A 70 84.119 17.356 -14.107 1.00 0.00 N ATOM 1125 CA LYS A 70 83.895 15.878 -14.084 1.00 0.00 C ATOM 1126 C LYS A 70 82.744 15.501 -15.021 1.00 0.00 C ATOM 1127 O LYS A 70 81.725 16.166 -15.062 1.00 0.00 O ATOM 1128 CB LYS A 70 83.534 15.553 -12.634 1.00 0.00 C ATOM 1129 CG LYS A 70 84.747 15.798 -11.735 1.00 0.00 C ATOM 1130 CD LYS A 70 84.419 15.365 -10.304 1.00 0.00 C ATOM 1131 CE LYS A 70 85.588 15.718 -9.381 1.00 0.00 C ATOM 1132 NZ LYS A 70 85.178 15.231 -8.036 1.00 0.00 N ATOM 0 H LYS A 70 83.406 17.907 -13.628 1.00 0.00 H new ATOM 0 HA LYS A 70 84.771 15.324 -14.420 1.00 0.00 H new ATOM 0 HB2 LYS A 70 82.698 16.172 -12.310 1.00 0.00 H new ATOM 0 HB3 LYS A 70 83.212 14.515 -12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 70 85.607 15.241 -12.107 1.00 0.00 H new ATOM 0 HG3 LYS A 70 85.019 16.853 -11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 70 83.510 15.860 -9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 70 84.228 14.292 -10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 70 86.510 15.238 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 70 85.773 16.792 -9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 85.930 15.438 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 84.302 15.710 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 85.015 14.204 -8.073 1.00 0.00 H new ATOM 1146 N SER A 71 82.904 14.438 -15.772 1.00 0.00 N ATOM 1147 CA SER A 71 81.820 13.994 -16.700 1.00 0.00 C ATOM 1148 C SER A 71 81.702 12.462 -16.681 1.00 0.00 C ATOM 1149 O SER A 71 82.623 11.787 -16.264 1.00 0.00 O ATOM 1150 CB SER A 71 82.256 14.483 -18.081 1.00 0.00 C ATOM 1151 OG SER A 71 82.383 15.899 -18.059 1.00 0.00 O ATOM 0 H SER A 71 83.743 13.857 -15.781 1.00 0.00 H new ATOM 0 HA SER A 71 80.845 14.391 -16.418 1.00 0.00 H new ATOM 0 HB2 SER A 71 83.206 14.025 -18.359 1.00 0.00 H new ATOM 0 HB3 SER A 71 81.526 14.183 -18.833 1.00 0.00 H new ATOM 0 HG SER A 71 82.664 16.216 -18.943 1.00 0.00 H new ATOM 1157 N PRO A 72 80.571 11.954 -17.137 1.00 0.00 N ATOM 1158 CA PRO A 72 80.358 10.479 -17.170 1.00 0.00 C ATOM 1159 C PRO A 72 81.375 9.807 -18.102 1.00 0.00 C ATOM 1160 O PRO A 72 81.606 10.261 -19.208 1.00 0.00 O ATOM 1161 CB PRO A 72 78.932 10.314 -17.710 1.00 0.00 C ATOM 1162 CG PRO A 72 78.297 11.666 -17.604 1.00 0.00 C ATOM 1163 CD PRO A 72 79.403 12.682 -17.653 1.00 0.00 C ATOM 0 HA PRO A 72 80.487 10.016 -16.192 1.00 0.00 H new ATOM 0 HB2 PRO A 72 78.943 9.967 -18.743 1.00 0.00 H new ATOM 0 HB3 PRO A 72 78.378 9.575 -17.131 1.00 0.00 H new ATOM 0 HG2 PRO A 72 77.592 11.825 -18.420 1.00 0.00 H new ATOM 0 HG3 PRO A 72 77.734 11.755 -16.675 1.00 0.00 H new ATOM 0 HD2 PRO A 72 79.572 13.041 -18.668 1.00 0.00 H new ATOM 0 HD3 PRO A 72 79.173 13.554 -17.041 1.00 0.00 H new ATOM 1171 N SER A 73 81.978 8.732 -17.659 1.00 0.00 N ATOM 1172 CA SER A 73 82.972 8.012 -18.512 1.00 0.00 C ATOM 1173 C SER A 73 82.932 6.510 -18.218 1.00 0.00 C ATOM 1174 O SER A 73 82.885 6.096 -17.076 1.00 0.00 O ATOM 1175 CB SER A 73 84.328 8.599 -18.122 1.00 0.00 C ATOM 1176 OG SER A 73 85.335 8.056 -18.964 1.00 0.00 O ATOM 0 H SER A 73 81.823 8.321 -16.739 1.00 0.00 H new ATOM 0 HA SER A 73 82.767 8.132 -19.576 1.00 0.00 H new ATOM 0 HB2 SER A 73 84.307 9.685 -18.215 1.00 0.00 H new ATOM 0 HB3 SER A 73 84.549 8.372 -17.079 1.00 0.00 H new ATOM 0 HG SER A 73 86.206 8.432 -18.717 1.00 0.00 H new ATOM 1182 N THR A 74 82.951 5.695 -19.247 1.00 0.00 N ATOM 1183 CA THR A 74 82.926 4.214 -19.042 1.00 0.00 C ATOM 1184 C THR A 74 84.051 3.550 -19.839 1.00 0.00 C ATOM 1185 O THR A 74 84.559 4.110 -20.795 1.00 0.00 O ATOM 1186 CB THR A 74 81.560 3.763 -19.566 1.00 0.00 C ATOM 1187 OG1 THR A 74 81.385 4.236 -20.895 1.00 0.00 O ATOM 1188 CG2 THR A 74 80.454 4.325 -18.671 1.00 0.00 C ATOM 0 H THR A 74 82.983 5.994 -20.222 1.00 0.00 H new ATOM 0 HA THR A 74 83.073 3.940 -17.997 1.00 0.00 H new ATOM 0 HB THR A 74 81.510 2.674 -19.558 1.00 0.00 H new ATOM 0 HG1 THR A 74 80.512 3.947 -21.233 1.00 0.00 H new ATOM 0 HG21 THR A 74 79.483 4.002 -19.046 1.00 0.00 H new ATOM 0 HG22 THR A 74 80.589 3.960 -17.653 1.00 0.00 H new ATOM 0 HG23 THR A 74 80.501 5.414 -18.675 1.00 0.00 H new ATOM 1196 N ASN A 75 84.444 2.360 -19.451 1.00 0.00 N ATOM 1197 CA ASN A 75 85.526 1.638 -20.189 1.00 0.00 C ATOM 1198 C ASN A 75 85.445 0.132 -19.910 1.00 0.00 C ATOM 1199 O ASN A 75 85.394 -0.292 -18.770 1.00 0.00 O ATOM 1200 CB ASN A 75 86.846 2.228 -19.665 1.00 0.00 C ATOM 1201 CG ASN A 75 86.956 2.036 -18.146 1.00 0.00 C ATOM 1202 OD1 ASN A 75 87.324 0.975 -17.681 1.00 0.00 O ATOM 1203 ND2 ASN A 75 86.651 3.024 -17.351 1.00 0.00 N ATOM 0 H ASN A 75 84.059 1.857 -18.651 1.00 0.00 H new ATOM 0 HA ASN A 75 85.439 1.761 -21.269 1.00 0.00 H new ATOM 0 HB2 ASN A 75 87.689 1.746 -20.160 1.00 0.00 H new ATOM 0 HB3 ASN A 75 86.898 3.289 -19.908 1.00 0.00 H new ATOM 0 HD21 ASN A 75 86.721 2.906 -16.340 1.00 0.00 H new ATOM 0 HD22 ASN A 75 86.342 3.915 -17.740 1.00 0.00 H new ATOM 1210 N SER A 76 85.434 -0.674 -20.945 1.00 0.00 N ATOM 1211 CA SER A 76 85.354 -2.155 -20.754 1.00 0.00 C ATOM 1212 C SER A 76 86.533 -2.844 -21.447 1.00 0.00 C ATOM 1213 O SER A 76 86.938 -2.457 -22.528 1.00 0.00 O ATOM 1214 CB SER A 76 84.035 -2.566 -21.407 1.00 0.00 C ATOM 1215 OG SER A 76 82.965 -1.869 -20.784 1.00 0.00 O ATOM 0 H SER A 76 85.477 -0.367 -21.917 1.00 0.00 H new ATOM 0 HA SER A 76 85.395 -2.438 -19.702 1.00 0.00 H new ATOM 0 HB2 SER A 76 84.058 -2.341 -22.473 1.00 0.00 H new ATOM 0 HB3 SER A 76 83.888 -3.642 -21.311 1.00 0.00 H new ATOM 0 HG SER A 76 82.118 -2.129 -21.202 1.00 0.00 H new ATOM 1221 N THR A 77 87.083 -3.861 -20.828 1.00 0.00 N ATOM 1222 CA THR A 77 88.221 -4.605 -21.450 1.00 0.00 C ATOM 1223 C THR A 77 87.962 -6.113 -21.380 1.00 0.00 C ATOM 1224 O THR A 77 87.486 -6.620 -20.380 1.00 0.00 O ATOM 1225 CB THR A 77 89.445 -4.228 -20.612 1.00 0.00 C ATOM 1226 OG1 THR A 77 89.522 -2.813 -20.501 1.00 0.00 O ATOM 1227 CG2 THR A 77 90.712 -4.757 -21.288 1.00 0.00 C ATOM 0 H THR A 77 86.790 -4.208 -19.915 1.00 0.00 H new ATOM 0 HA THR A 77 88.357 -4.354 -22.502 1.00 0.00 H new ATOM 0 HB THR A 77 89.355 -4.668 -19.619 1.00 0.00 H new ATOM 0 HG1 THR A 77 90.304 -2.569 -19.963 1.00 0.00 H new ATOM 0 HG21 THR A 77 91.583 -4.488 -20.690 1.00 0.00 H new ATOM 0 HG22 THR A 77 90.652 -5.842 -21.374 1.00 0.00 H new ATOM 0 HG23 THR A 77 90.804 -4.319 -22.282 1.00 0.00 H new ATOM 1235 N LYS A 78 88.275 -6.829 -22.432 1.00 0.00 N ATOM 1236 CA LYS A 78 88.052 -8.307 -22.438 1.00 0.00 C ATOM 1237 C LYS A 78 89.392 -9.044 -22.527 1.00 0.00 C ATOM 1238 O LYS A 78 90.157 -8.846 -23.453 1.00 0.00 O ATOM 1239 CB LYS A 78 87.209 -8.575 -23.686 1.00 0.00 C ATOM 1240 CG LYS A 78 86.721 -10.025 -23.674 1.00 0.00 C ATOM 1241 CD LYS A 78 85.789 -10.263 -24.864 1.00 0.00 C ATOM 1242 CE LYS A 78 86.614 -10.364 -26.149 1.00 0.00 C ATOM 1243 NZ LYS A 78 87.074 -11.780 -26.199 1.00 0.00 N ATOM 0 H LYS A 78 88.677 -6.451 -23.290 1.00 0.00 H new ATOM 0 HA LYS A 78 87.559 -8.654 -21.530 1.00 0.00 H new ATOM 0 HB2 LYS A 78 86.358 -7.895 -23.715 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.799 -8.387 -24.583 1.00 0.00 H new ATOM 0 HG2 LYS A 78 87.571 -10.706 -23.723 1.00 0.00 H new ATOM 0 HG3 LYS A 78 86.197 -10.235 -22.741 1.00 0.00 H new ATOM 0 HD2 LYS A 78 85.217 -11.179 -24.714 1.00 0.00 H new ATOM 0 HD3 LYS A 78 85.070 -9.448 -24.945 1.00 0.00 H new ATOM 0 HE2 LYS A 78 86.015 -10.112 -27.024 1.00 0.00 H new ATOM 0 HE3 LYS A 78 87.458 -9.675 -26.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 88.026 -11.821 -26.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 87.100 -12.171 -25.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 86.418 -12.338 -26.782 1.00 0.00 H new ATOM 1257 N LEU A 79 89.676 -9.890 -21.567 1.00 0.00 N ATOM 1258 CA LEU A 79 90.955 -10.665 -21.591 1.00 0.00 C ATOM 1259 C LEU A 79 90.696 -12.110 -21.151 1.00 0.00 C ATOM 1260 O LEU A 79 90.459 -12.378 -19.988 1.00 0.00 O ATOM 1261 CB LEU A 79 91.871 -9.946 -20.591 1.00 0.00 C ATOM 1262 CG LEU A 79 93.323 -10.015 -21.076 1.00 0.00 C ATOM 1263 CD1 LEU A 79 94.176 -9.032 -20.271 1.00 0.00 C ATOM 1264 CD2 LEU A 79 93.861 -11.435 -20.884 1.00 0.00 C ATOM 0 H LEU A 79 89.074 -10.078 -20.765 1.00 0.00 H new ATOM 0 HA LEU A 79 91.400 -10.711 -22.585 1.00 0.00 H new ATOM 0 HB2 LEU A 79 91.563 -8.906 -20.484 1.00 0.00 H new ATOM 0 HB3 LEU A 79 91.784 -10.407 -19.607 1.00 0.00 H new ATOM 0 HG LEU A 79 93.365 -9.752 -22.133 1.00 0.00 H new ATOM 0 HD11 LEU A 79 95.209 -9.080 -20.615 1.00 0.00 H new ATOM 0 HD12 LEU A 79 93.794 -8.021 -20.410 1.00 0.00 H new ATOM 0 HD13 LEU A 79 94.133 -9.294 -19.214 1.00 0.00 H new ATOM 0 HD21 LEU A 79 94.894 -11.483 -21.229 1.00 0.00 H new ATOM 0 HD22 LEU A 79 93.819 -11.700 -19.828 1.00 0.00 H new ATOM 0 HD23 LEU A 79 93.254 -12.135 -21.458 1.00 0.00 H new ATOM 1276 N LYS A 80 90.740 -13.039 -22.075 1.00 0.00 N ATOM 1277 CA LYS A 80 90.426 -14.463 -21.738 1.00 0.00 C ATOM 1278 C LYS A 80 91.711 -15.292 -21.654 1.00 0.00 C ATOM 1279 O LYS A 80 91.718 -16.470 -21.963 1.00 0.00 O ATOM 1280 CB LYS A 80 89.540 -14.960 -22.885 1.00 0.00 C ATOM 1281 CG LYS A 80 88.216 -14.191 -22.888 1.00 0.00 C ATOM 1282 CD LYS A 80 87.309 -14.726 -21.777 1.00 0.00 C ATOM 1283 CE LYS A 80 86.568 -15.969 -22.275 1.00 0.00 C ATOM 1284 NZ LYS A 80 86.067 -16.637 -21.041 1.00 0.00 N ATOM 0 H LYS A 80 90.981 -12.871 -23.052 1.00 0.00 H new ATOM 0 HA LYS A 80 89.931 -14.553 -20.771 1.00 0.00 H new ATOM 0 HB2 LYS A 80 90.052 -14.824 -23.838 1.00 0.00 H new ATOM 0 HB3 LYS A 80 89.351 -16.028 -22.774 1.00 0.00 H new ATOM 0 HG2 LYS A 80 88.401 -13.127 -22.739 1.00 0.00 H new ATOM 0 HG3 LYS A 80 87.725 -14.297 -23.855 1.00 0.00 H new ATOM 0 HD2 LYS A 80 87.902 -14.972 -20.896 1.00 0.00 H new ATOM 0 HD3 LYS A 80 86.594 -13.960 -21.476 1.00 0.00 H new ATOM 0 HE2 LYS A 80 85.747 -15.700 -22.940 1.00 0.00 H new ATOM 0 HE3 LYS A 80 87.232 -16.625 -22.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 85.547 -17.500 -21.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 86.871 -16.888 -20.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 85.433 -15.991 -20.529 1.00 0.00 H new ATOM 1298 N SER A 81 92.798 -14.685 -21.237 1.00 0.00 N ATOM 1299 CA SER A 81 94.095 -15.431 -21.137 1.00 0.00 C ATOM 1300 C SER A 81 93.998 -16.525 -20.068 1.00 0.00 C ATOM 1301 O SER A 81 94.544 -17.602 -20.220 1.00 0.00 O ATOM 1302 CB SER A 81 95.138 -14.386 -20.736 1.00 0.00 C ATOM 1303 OG SER A 81 96.424 -14.991 -20.715 1.00 0.00 O ATOM 0 H SER A 81 92.843 -13.704 -20.961 1.00 0.00 H new ATOM 0 HA SER A 81 94.354 -15.921 -22.075 1.00 0.00 H new ATOM 0 HB2 SER A 81 95.126 -13.554 -21.440 1.00 0.00 H new ATOM 0 HB3 SER A 81 94.900 -13.976 -19.755 1.00 0.00 H new ATOM 0 HG SER A 81 97.095 -14.324 -20.460 1.00 0.00 H new ATOM 1309 N ALA A 82 93.304 -16.252 -18.988 1.00 0.00 N ATOM 1310 CA ALA A 82 93.148 -17.278 -17.906 1.00 0.00 C ATOM 1311 C ALA A 82 92.274 -18.438 -18.397 1.00 0.00 C ATOM 1312 O ALA A 82 92.462 -19.574 -18.007 1.00 0.00 O ATOM 1313 CB ALA A 82 92.464 -16.549 -16.747 1.00 0.00 C ATOM 0 H ALA A 82 92.838 -15.362 -18.809 1.00 0.00 H new ATOM 0 HA ALA A 82 94.107 -17.702 -17.607 1.00 0.00 H new ATOM 0 HB1 ALA A 82 92.318 -17.241 -15.918 1.00 0.00 H new ATOM 0 HB2 ALA A 82 93.089 -15.718 -16.420 1.00 0.00 H new ATOM 0 HB3 ALA A 82 91.497 -16.168 -17.077 1.00 0.00 H new ATOM 1319 N GLU A 83 91.314 -18.153 -19.256 1.00 0.00 N ATOM 1320 CA GLU A 83 90.399 -19.223 -19.788 1.00 0.00 C ATOM 1321 C GLU A 83 89.761 -20.022 -18.640 1.00 0.00 C ATOM 1322 O GLU A 83 90.251 -21.066 -18.249 1.00 0.00 O ATOM 1323 CB GLU A 83 91.284 -20.129 -20.655 1.00 0.00 C ATOM 1324 CG GLU A 83 90.433 -20.791 -21.741 1.00 0.00 C ATOM 1325 CD GLU A 83 89.743 -22.030 -21.167 1.00 0.00 C ATOM 1326 OE1 GLU A 83 88.642 -21.888 -20.661 1.00 0.00 O ATOM 1327 OE2 GLU A 83 90.327 -23.098 -21.243 1.00 0.00 O ATOM 0 H GLU A 83 91.125 -17.217 -19.613 1.00 0.00 H new ATOM 0 HA GLU A 83 89.576 -18.796 -20.361 1.00 0.00 H new ATOM 0 HB2 GLU A 83 92.083 -19.545 -21.111 1.00 0.00 H new ATOM 0 HB3 GLU A 83 91.759 -20.890 -20.036 1.00 0.00 H new ATOM 0 HG2 GLU A 83 89.689 -20.087 -22.113 1.00 0.00 H new ATOM 0 HG3 GLU A 83 91.059 -21.071 -22.588 1.00 0.00 H new ATOM 1334 N THR A 84 88.672 -19.530 -18.103 1.00 0.00 N ATOM 1335 CA THR A 84 87.984 -20.248 -16.986 1.00 0.00 C ATOM 1336 C THR A 84 86.461 -20.145 -17.142 1.00 0.00 C ATOM 1337 O THR A 84 85.961 -19.294 -17.855 1.00 0.00 O ATOM 1338 CB THR A 84 88.459 -19.551 -15.699 1.00 0.00 C ATOM 1339 OG1 THR A 84 87.865 -20.186 -14.576 1.00 0.00 O ATOM 1340 CG2 THR A 84 88.066 -18.066 -15.714 1.00 0.00 C ATOM 0 H THR A 84 88.228 -18.658 -18.392 1.00 0.00 H new ATOM 0 HA THR A 84 88.222 -21.312 -16.973 1.00 0.00 H new ATOM 0 HB THR A 84 89.545 -19.625 -15.638 1.00 0.00 H new ATOM 0 HG1 THR A 84 88.167 -19.746 -13.754 1.00 0.00 H new ATOM 0 HG21 THR A 84 88.410 -17.589 -14.796 1.00 0.00 H new ATOM 0 HG22 THR A 84 88.527 -17.576 -16.572 1.00 0.00 H new ATOM 0 HG23 THR A 84 86.982 -17.977 -15.785 1.00 0.00 H new ATOM 1348 N TYR A 85 85.728 -21.008 -16.479 1.00 0.00 N ATOM 1349 CA TYR A 85 84.233 -20.961 -16.577 1.00 0.00 C ATOM 1350 C TYR A 85 83.696 -19.734 -15.835 1.00 0.00 C ATOM 1351 O TYR A 85 84.210 -19.352 -14.800 1.00 0.00 O ATOM 1352 CB TYR A 85 83.740 -22.247 -15.911 1.00 0.00 C ATOM 1353 CG TYR A 85 84.191 -23.503 -16.618 1.00 0.00 C ATOM 1354 CD1 TYR A 85 83.495 -23.960 -17.764 1.00 0.00 C ATOM 1355 CD2 TYR A 85 85.310 -24.226 -16.135 1.00 0.00 C ATOM 1356 CE1 TYR A 85 83.918 -25.138 -18.427 1.00 0.00 C ATOM 1357 CE2 TYR A 85 85.732 -25.404 -16.798 1.00 0.00 C ATOM 1358 CZ TYR A 85 85.036 -25.860 -17.944 1.00 0.00 C ATOM 1359 OH TYR A 85 85.448 -27.008 -18.590 1.00 0.00 O ATOM 0 H TYR A 85 86.099 -21.742 -15.875 1.00 0.00 H new ATOM 0 HA TYR A 85 83.893 -20.887 -17.610 1.00 0.00 H new ATOM 0 HB2 TYR A 85 84.095 -22.272 -14.881 1.00 0.00 H new ATOM 0 HB3 TYR A 85 82.651 -22.232 -15.873 1.00 0.00 H new ATOM 0 HD1 TYR A 85 82.642 -23.410 -18.132 1.00 0.00 H new ATOM 0 HD2 TYR A 85 85.841 -23.879 -15.261 1.00 0.00 H new ATOM 0 HE1 TYR A 85 83.388 -25.486 -19.301 1.00 0.00 H new ATOM 0 HE2 TYR A 85 86.585 -25.955 -16.430 1.00 0.00 H new ATOM 0 HH TYR A 85 86.230 -27.380 -18.130 1.00 0.00 H new ATOM 1369 N SER A 86 82.663 -19.118 -16.360 1.00 0.00 N ATOM 1370 CA SER A 86 82.084 -17.909 -15.699 1.00 0.00 C ATOM 1371 C SER A 86 80.554 -17.965 -15.744 1.00 0.00 C ATOM 1372 O SER A 86 79.974 -18.540 -16.646 1.00 0.00 O ATOM 1373 CB SER A 86 82.602 -16.726 -16.515 1.00 0.00 C ATOM 1374 OG SER A 86 82.205 -15.513 -15.887 1.00 0.00 O ATOM 0 H SER A 86 82.196 -19.403 -17.221 1.00 0.00 H new ATOM 0 HA SER A 86 82.368 -17.835 -14.649 1.00 0.00 H new ATOM 0 HB2 SER A 86 83.688 -16.770 -16.592 1.00 0.00 H new ATOM 0 HB3 SER A 86 82.208 -16.769 -17.530 1.00 0.00 H new ATOM 0 HG SER A 86 82.537 -14.752 -16.407 1.00 0.00 H new ATOM 1380 N SER A 87 79.901 -17.369 -14.773 1.00 0.00 N ATOM 1381 CA SER A 87 78.400 -17.375 -14.750 1.00 0.00 C ATOM 1382 C SER A 87 77.844 -16.616 -15.960 1.00 0.00 C ATOM 1383 O SER A 87 76.828 -16.986 -16.520 1.00 0.00 O ATOM 1384 CB SER A 87 78.009 -16.666 -13.451 1.00 0.00 C ATOM 1385 OG SER A 87 78.645 -17.310 -12.355 1.00 0.00 O ATOM 0 H SER A 87 80.342 -16.878 -13.995 1.00 0.00 H new ATOM 0 HA SER A 87 77.999 -18.387 -14.796 1.00 0.00 H new ATOM 0 HB2 SER A 87 78.304 -15.617 -13.492 1.00 0.00 H new ATOM 0 HB3 SER A 87 76.927 -16.688 -13.323 1.00 0.00 H new ATOM 0 HG SER A 87 78.398 -16.857 -11.522 1.00 0.00 H new ATOM 1391 N LYS A 88 78.507 -15.560 -16.364 1.00 0.00 N ATOM 1392 CA LYS A 88 78.046 -14.782 -17.555 1.00 0.00 C ATOM 1393 C LYS A 88 78.988 -15.022 -18.736 1.00 0.00 C ATOM 1394 O LYS A 88 80.195 -14.927 -18.605 1.00 0.00 O ATOM 1395 CB LYS A 88 78.096 -13.317 -17.117 1.00 0.00 C ATOM 1396 CG LYS A 88 77.044 -13.068 -16.033 1.00 0.00 C ATOM 1397 CD LYS A 88 77.020 -11.581 -15.676 1.00 0.00 C ATOM 1398 CE LYS A 88 76.057 -11.351 -14.508 1.00 0.00 C ATOM 1399 NZ LYS A 88 75.656 -9.921 -14.618 1.00 0.00 N ATOM 0 H LYS A 88 79.351 -15.202 -15.918 1.00 0.00 H new ATOM 0 HA LYS A 88 77.047 -15.075 -17.879 1.00 0.00 H new ATOM 0 HB2 LYS A 88 79.088 -13.074 -16.737 1.00 0.00 H new ATOM 0 HB3 LYS A 88 77.914 -12.665 -17.971 1.00 0.00 H new ATOM 0 HG2 LYS A 88 76.062 -13.384 -16.385 1.00 0.00 H new ATOM 0 HG3 LYS A 88 77.271 -13.662 -15.148 1.00 0.00 H new ATOM 0 HD2 LYS A 88 78.021 -11.245 -15.407 1.00 0.00 H new ATOM 0 HD3 LYS A 88 76.708 -10.994 -16.540 1.00 0.00 H new ATOM 0 HE2 LYS A 88 75.191 -12.010 -14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 88 76.540 -11.554 -13.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 74.995 -9.686 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 76.500 -9.317 -14.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 75.193 -9.760 -15.535 1.00 0.00 H new ATOM 1413 N ASN A 89 78.444 -15.332 -19.889 1.00 0.00 N ATOM 1414 CA ASN A 89 79.299 -15.590 -21.088 1.00 0.00 C ATOM 1415 C ASN A 89 79.095 -14.489 -22.132 1.00 0.00 C ATOM 1416 O ASN A 89 77.977 -14.161 -22.486 1.00 0.00 O ATOM 1417 CB ASN A 89 78.825 -16.939 -21.633 1.00 0.00 C ATOM 1418 CG ASN A 89 79.159 -18.047 -20.630 1.00 0.00 C ATOM 1419 OD1 ASN A 89 80.191 -18.011 -19.988 1.00 0.00 O ATOM 1420 ND2 ASN A 89 78.325 -19.037 -20.469 1.00 0.00 N ATOM 0 H ASN A 89 77.440 -15.417 -20.050 1.00 0.00 H new ATOM 0 HA ASN A 89 80.361 -15.601 -20.841 1.00 0.00 H new ATOM 0 HB2 ASN A 89 77.751 -16.911 -21.815 1.00 0.00 H new ATOM 0 HB3 ASN A 89 79.305 -17.145 -22.590 1.00 0.00 H new ATOM 0 HD21 ASN A 89 78.539 -19.781 -19.805 1.00 0.00 H new ATOM 0 HD22 ASN A 89 77.459 -19.067 -21.008 1.00 0.00 H new ATOM 1427 N LYS A 90 80.168 -13.919 -22.623 1.00 0.00 N ATOM 1428 CA LYS A 90 80.050 -12.851 -23.662 1.00 0.00 C ATOM 1429 C LYS A 90 80.389 -13.418 -25.043 1.00 0.00 C ATOM 1430 O LYS A 90 81.500 -13.851 -25.289 1.00 0.00 O ATOM 1431 CB LYS A 90 81.071 -11.786 -23.255 1.00 0.00 C ATOM 1432 CG LYS A 90 80.632 -11.128 -21.945 1.00 0.00 C ATOM 1433 CD LYS A 90 81.591 -9.987 -21.600 1.00 0.00 C ATOM 1434 CE LYS A 90 81.219 -9.401 -20.236 1.00 0.00 C ATOM 1435 NZ LYS A 90 82.060 -8.180 -20.100 1.00 0.00 N ATOM 0 H LYS A 90 81.123 -14.149 -22.348 1.00 0.00 H new ATOM 0 HA LYS A 90 79.040 -12.445 -23.724 1.00 0.00 H new ATOM 0 HB2 LYS A 90 82.055 -12.239 -23.134 1.00 0.00 H new ATOM 0 HB3 LYS A 90 81.160 -11.034 -24.039 1.00 0.00 H new ATOM 0 HG2 LYS A 90 79.615 -10.746 -22.040 1.00 0.00 H new ATOM 0 HG3 LYS A 90 80.622 -11.864 -21.141 1.00 0.00 H new ATOM 0 HD2 LYS A 90 82.617 -10.353 -21.582 1.00 0.00 H new ATOM 0 HD3 LYS A 90 81.542 -9.213 -22.366 1.00 0.00 H new ATOM 0 HE2 LYS A 90 80.158 -9.157 -20.187 1.00 0.00 H new ATOM 0 HE3 LYS A 90 81.420 -10.110 -19.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 81.861 -7.722 -19.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 83.065 -8.444 -20.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 81.842 -7.520 -20.874 1.00 0.00 H new ATOM 1449 N TRP A 91 79.436 -13.418 -25.945 1.00 0.00 N ATOM 1450 CA TRP A 91 79.691 -13.947 -27.320 1.00 0.00 C ATOM 1451 C TRP A 91 79.466 -12.845 -28.359 1.00 0.00 C ATOM 1452 O TRP A 91 78.514 -12.091 -28.277 1.00 0.00 O ATOM 1453 CB TRP A 91 78.673 -15.071 -27.505 1.00 0.00 C ATOM 1454 CG TRP A 91 78.873 -16.219 -26.567 1.00 0.00 C ATOM 1455 CD1 TRP A 91 78.103 -16.478 -25.483 1.00 0.00 C ATOM 1456 CD2 TRP A 91 79.891 -17.260 -26.608 1.00 0.00 C ATOM 1457 NE1 TRP A 91 78.581 -17.615 -24.852 1.00 0.00 N ATOM 1458 CE2 TRP A 91 79.680 -18.138 -25.501 1.00 0.00 C ATOM 1459 CE3 TRP A 91 80.972 -17.535 -27.489 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 80.515 -19.253 -25.273 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 81.815 -18.656 -27.264 1.00 0.00 C ATOM 1462 CH2 TRP A 91 81.587 -19.513 -26.158 1.00 0.00 C ATOM 0 H TRP A 91 78.490 -13.073 -25.786 1.00 0.00 H new ATOM 0 HA TRP A 91 80.715 -14.299 -27.445 1.00 0.00 H new ATOM 0 HB2 TRP A 91 77.670 -14.668 -27.365 1.00 0.00 H new ATOM 0 HB3 TRP A 91 78.729 -15.436 -28.530 1.00 0.00 H new ATOM 0 HD1 TRP A 91 77.254 -15.893 -25.162 1.00 0.00 H new ATOM 0 HE1 TRP A 91 78.170 -18.017 -24.009 1.00 0.00 H new ATOM 0 HE3 TRP A 91 81.154 -16.888 -28.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 80.337 -19.903 -24.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 82.634 -18.856 -27.939 1.00 0.00 H new ATOM 0 HH2 TRP A 91 82.231 -20.364 -25.991 1.00 0.00 H new ATOM 1473 N SER A 92 80.338 -12.751 -29.334 1.00 0.00 N ATOM 1474 CA SER A 92 80.173 -11.716 -30.401 1.00 0.00 C ATOM 1475 C SER A 92 80.188 -12.375 -31.783 1.00 0.00 C ATOM 1476 O SER A 92 80.998 -13.240 -32.058 1.00 0.00 O ATOM 1477 CB SER A 92 81.375 -10.786 -30.239 1.00 0.00 C ATOM 1478 OG SER A 92 81.340 -10.196 -28.947 1.00 0.00 O ATOM 0 H SER A 92 81.158 -13.348 -29.436 1.00 0.00 H new ATOM 0 HA SER A 92 79.228 -11.180 -30.314 1.00 0.00 H new ATOM 0 HB2 SER A 92 82.302 -11.344 -30.372 1.00 0.00 H new ATOM 0 HB3 SER A 92 81.356 -10.012 -31.006 1.00 0.00 H new ATOM 0 HG SER A 92 82.110 -9.600 -28.839 1.00 0.00 H new ATOM 1484 N MET A 93 79.293 -11.968 -32.653 1.00 0.00 N ATOM 1485 CA MET A 93 79.254 -12.548 -34.030 1.00 0.00 C ATOM 1486 C MET A 93 78.810 -11.483 -35.037 1.00 0.00 C ATOM 1487 O MET A 93 79.411 -11.319 -36.083 1.00 0.00 O ATOM 1488 CB MET A 93 78.226 -13.679 -33.960 1.00 0.00 C ATOM 1489 CG MET A 93 78.758 -14.805 -33.071 1.00 0.00 C ATOM 1490 SD MET A 93 77.682 -16.253 -33.225 1.00 0.00 S ATOM 1491 CE MET A 93 78.199 -16.742 -34.889 1.00 0.00 C ATOM 0 H MET A 93 78.586 -11.257 -32.466 1.00 0.00 H new ATOM 0 HA MET A 93 80.231 -12.907 -34.353 1.00 0.00 H new ATOM 0 HB2 MET A 93 77.284 -13.303 -33.562 1.00 0.00 H new ATOM 0 HB3 MET A 93 78.020 -14.059 -34.961 1.00 0.00 H new ATOM 0 HG2 MET A 93 79.776 -15.063 -33.362 1.00 0.00 H new ATOM 0 HG3 MET A 93 78.797 -14.476 -32.033 1.00 0.00 H new ATOM 0 HE1 MET A 93 78.550 -17.774 -34.873 1.00 0.00 H new ATOM 0 HE2 MET A 93 77.354 -16.657 -35.572 1.00 0.00 H new ATOM 0 HE3 MET A 93 79.005 -16.090 -35.226 1.00 0.00 H new ATOM 1501 N ASP A 94 77.761 -10.760 -34.725 1.00 0.00 N ATOM 1502 CA ASP A 94 77.270 -9.695 -35.653 1.00 0.00 C ATOM 1503 C ASP A 94 78.000 -8.377 -35.377 1.00 0.00 C ATOM 1504 O ASP A 94 78.249 -8.025 -34.239 1.00 0.00 O ATOM 1505 CB ASP A 94 75.775 -9.554 -35.349 1.00 0.00 C ATOM 1506 CG ASP A 94 75.122 -8.649 -36.395 1.00 0.00 C ATOM 1507 OD1 ASP A 94 75.083 -7.451 -36.173 1.00 0.00 O ATOM 1508 OD2 ASP A 94 74.672 -9.171 -37.403 1.00 0.00 O ATOM 0 H ASP A 94 77.223 -10.863 -33.865 1.00 0.00 H new ATOM 0 HA ASP A 94 77.449 -9.946 -36.698 1.00 0.00 H new ATOM 0 HB2 ASP A 94 75.299 -10.534 -35.353 1.00 0.00 H new ATOM 0 HB3 ASP A 94 75.634 -9.136 -34.352 1.00 0.00 H new ATOM 1513 N CYS A 95 78.344 -7.652 -36.414 1.00 0.00 N ATOM 1514 CA CYS A 95 79.067 -6.353 -36.228 1.00 0.00 C ATOM 1515 C CYS A 95 78.276 -5.205 -36.869 1.00 0.00 C ATOM 1516 O CYS A 95 77.343 -5.429 -37.620 1.00 0.00 O ATOM 1517 CB CYS A 95 80.436 -6.535 -36.912 1.00 0.00 C ATOM 1518 SG CYS A 95 80.241 -6.920 -38.677 1.00 0.00 S ATOM 0 H CYS A 95 78.155 -7.904 -37.384 1.00 0.00 H new ATOM 0 HA CYS A 95 79.184 -6.100 -35.174 1.00 0.00 H new ATOM 0 HB2 CYS A 95 81.026 -5.626 -36.798 1.00 0.00 H new ATOM 0 HB3 CYS A 95 80.987 -7.337 -36.421 1.00 0.00 H new ATOM 0 HG CYS A 95 81.413 -7.064 -39.222 1.00 0.00 H new ATOM 1524 N ASP A 96 78.644 -3.981 -36.574 1.00 0.00 N ATOM 1525 CA ASP A 96 77.902 -2.811 -37.138 1.00 0.00 C ATOM 1526 C ASP A 96 78.442 -2.461 -38.529 1.00 0.00 C ATOM 1527 O ASP A 96 79.589 -2.083 -38.679 1.00 0.00 O ATOM 1528 CB ASP A 96 78.158 -1.662 -36.158 1.00 0.00 C ATOM 1529 CG ASP A 96 77.269 -0.470 -36.520 1.00 0.00 C ATOM 1530 OD1 ASP A 96 77.748 0.414 -37.210 1.00 0.00 O ATOM 1531 OD2 ASP A 96 76.122 -0.462 -36.100 1.00 0.00 O ATOM 0 H ASP A 96 79.427 -3.742 -35.966 1.00 0.00 H new ATOM 0 HA ASP A 96 76.838 -3.017 -37.253 1.00 0.00 H new ATOM 0 HB2 ASP A 96 77.950 -1.987 -35.139 1.00 0.00 H new ATOM 0 HB3 ASP A 96 79.207 -1.369 -36.191 1.00 0.00 H new ATOM 1536 N GLU A 97 77.619 -2.588 -39.541 1.00 0.00 N ATOM 1537 CA GLU A 97 78.063 -2.250 -40.928 1.00 0.00 C ATOM 1538 C GLU A 97 77.397 -0.951 -41.392 1.00 0.00 C ATOM 1539 O GLU A 97 76.248 -0.691 -41.081 1.00 0.00 O ATOM 1540 CB GLU A 97 77.603 -3.429 -41.788 1.00 0.00 C ATOM 1541 CG GLU A 97 78.187 -3.296 -43.197 1.00 0.00 C ATOM 1542 CD GLU A 97 77.638 -4.412 -44.089 1.00 0.00 C ATOM 1543 OE1 GLU A 97 77.287 -4.120 -45.220 1.00 0.00 O ATOM 1544 OE2 GLU A 97 77.581 -5.540 -43.627 1.00 0.00 O ATOM 0 H GLU A 97 76.655 -2.913 -39.465 1.00 0.00 H new ATOM 0 HA GLU A 97 79.140 -2.095 -40.993 1.00 0.00 H new ATOM 0 HB2 GLU A 97 77.924 -4.368 -41.337 1.00 0.00 H new ATOM 0 HB3 GLU A 97 76.514 -3.454 -41.836 1.00 0.00 H new ATOM 0 HG2 GLU A 97 77.932 -2.323 -43.617 1.00 0.00 H new ATOM 0 HG3 GLU A 97 79.275 -3.351 -43.157 1.00 0.00 H new ATOM 1551 N GLU A 98 78.112 -0.137 -42.130 1.00 0.00 N ATOM 1552 CA GLU A 98 77.532 1.154 -42.611 1.00 0.00 C ATOM 1553 C GLU A 98 76.959 0.985 -44.021 1.00 0.00 C ATOM 1554 O GLU A 98 77.614 0.466 -44.906 1.00 0.00 O ATOM 1555 CB GLU A 98 78.705 2.139 -42.624 1.00 0.00 C ATOM 1556 CG GLU A 98 79.177 2.402 -41.190 1.00 0.00 C ATOM 1557 CD GLU A 98 78.114 3.202 -40.429 1.00 0.00 C ATOM 1558 OE1 GLU A 98 77.887 2.895 -39.272 1.00 0.00 O ATOM 1559 OE2 GLU A 98 77.548 4.109 -41.018 1.00 0.00 O ATOM 0 H GLU A 98 79.074 -0.312 -42.420 1.00 0.00 H new ATOM 0 HA GLU A 98 76.717 1.500 -41.976 1.00 0.00 H new ATOM 0 HB2 GLU A 98 79.525 1.735 -43.218 1.00 0.00 H new ATOM 0 HB3 GLU A 98 78.401 3.074 -43.094 1.00 0.00 H new ATOM 0 HG2 GLU A 98 79.367 1.457 -40.681 1.00 0.00 H new ATOM 0 HG3 GLU A 98 80.118 2.952 -41.203 1.00 0.00 H new ATOM 1566 N PHE A 99 75.740 1.420 -44.231 1.00 0.00 N ATOM 1567 CA PHE A 99 75.115 1.297 -45.587 1.00 0.00 C ATOM 1568 C PHE A 99 75.796 2.250 -46.573 1.00 0.00 C ATOM 1569 O PHE A 99 76.101 1.881 -47.693 1.00 0.00 O ATOM 1570 CB PHE A 99 73.646 1.686 -45.396 1.00 0.00 C ATOM 1571 CG PHE A 99 72.811 1.514 -46.642 1.00 0.00 C ATOM 1572 CD1 PHE A 99 72.238 0.254 -46.942 1.00 0.00 C ATOM 1573 CD2 PHE A 99 72.600 2.613 -47.509 1.00 0.00 C ATOM 1574 CE1 PHE A 99 71.454 0.093 -48.111 1.00 0.00 C ATOM 1575 CE2 PHE A 99 71.815 2.452 -48.678 1.00 0.00 C ATOM 1576 CZ PHE A 99 71.242 1.192 -48.978 1.00 0.00 C ATOM 0 H PHE A 99 75.150 1.855 -43.522 1.00 0.00 H new ATOM 0 HA PHE A 99 75.217 0.290 -45.992 1.00 0.00 H new ATOM 0 HB2 PHE A 99 73.219 1.081 -44.596 1.00 0.00 H new ATOM 0 HB3 PHE A 99 73.593 2.726 -45.073 1.00 0.00 H new ATOM 0 HD1 PHE A 99 72.399 -0.584 -46.280 1.00 0.00 H new ATOM 0 HD2 PHE A 99 73.037 3.574 -47.280 1.00 0.00 H new ATOM 0 HE1 PHE A 99 71.018 -0.868 -48.341 1.00 0.00 H new ATOM 0 HE2 PHE A 99 71.654 3.290 -49.340 1.00 0.00 H new ATOM 0 HZ PHE A 99 70.643 1.070 -49.868 1.00 0.00 H new ATOM 1586 N ASP A 100 76.035 3.472 -46.161 1.00 0.00 N ATOM 1587 CA ASP A 100 76.672 4.474 -47.079 1.00 0.00 C ATOM 1588 C ASP A 100 78.106 4.053 -47.420 1.00 0.00 C ATOM 1589 O ASP A 100 78.571 4.255 -48.527 1.00 0.00 O ATOM 1590 CB ASP A 100 76.675 5.796 -46.304 1.00 0.00 C ATOM 1591 CG ASP A 100 75.235 6.270 -46.085 1.00 0.00 C ATOM 1592 OD1 ASP A 100 74.449 6.168 -47.013 1.00 0.00 O ATOM 1593 OD2 ASP A 100 74.944 6.726 -44.992 1.00 0.00 O ATOM 0 H ASP A 100 75.817 3.821 -45.228 1.00 0.00 H new ATOM 0 HA ASP A 100 76.132 4.558 -48.022 1.00 0.00 H new ATOM 0 HB2 ASP A 100 77.175 5.665 -45.344 1.00 0.00 H new ATOM 0 HB3 ASP A 100 77.236 6.550 -46.855 1.00 0.00 H new ATOM 1598 N PHE A 101 78.805 3.469 -46.476 1.00 0.00 N ATOM 1599 CA PHE A 101 80.217 3.052 -46.727 1.00 0.00 C ATOM 1600 C PHE A 101 80.293 1.539 -46.950 1.00 0.00 C ATOM 1601 O PHE A 101 79.827 0.761 -46.137 1.00 0.00 O ATOM 1602 CB PHE A 101 80.977 3.447 -45.461 1.00 0.00 C ATOM 1603 CG PHE A 101 80.989 4.935 -45.205 1.00 0.00 C ATOM 1604 CD1 PHE A 101 80.030 5.513 -44.337 1.00 0.00 C ATOM 1605 CD2 PHE A 101 81.959 5.754 -45.834 1.00 0.00 C ATOM 1606 CE1 PHE A 101 80.041 6.909 -44.097 1.00 0.00 C ATOM 1607 CE2 PHE A 101 81.970 7.150 -45.594 1.00 0.00 C ATOM 1608 CZ PHE A 101 81.012 7.727 -44.726 1.00 0.00 C ATOM 0 H PHE A 101 78.455 3.264 -45.540 1.00 0.00 H new ATOM 0 HA PHE A 101 80.634 3.523 -47.617 1.00 0.00 H new ATOM 0 HB2 PHE A 101 80.528 2.943 -44.605 1.00 0.00 H new ATOM 0 HB3 PHE A 101 82.004 3.091 -45.538 1.00 0.00 H new ATOM 0 HD1 PHE A 101 79.290 4.889 -43.858 1.00 0.00 H new ATOM 0 HD2 PHE A 101 82.690 5.314 -46.496 1.00 0.00 H new ATOM 0 HE1 PHE A 101 79.310 7.349 -43.435 1.00 0.00 H new ATOM 0 HE2 PHE A 101 82.709 7.774 -46.073 1.00 0.00 H new ATOM 0 HZ PHE A 101 81.021 8.791 -44.543 1.00 0.00 H new ATOM 1618 N ALA A 102 80.879 1.121 -48.046 1.00 0.00 N ATOM 1619 CA ALA A 102 81.008 -0.341 -48.329 1.00 0.00 C ATOM 1620 C ALA A 102 82.149 -0.586 -49.320 1.00 0.00 C ATOM 1621 O ALA A 102 82.467 0.264 -50.130 1.00 0.00 O ATOM 1622 CB ALA A 102 79.667 -0.746 -48.942 1.00 0.00 C ATOM 0 H ALA A 102 81.275 1.733 -48.759 1.00 0.00 H new ATOM 0 HA ALA A 102 81.236 -0.918 -47.433 1.00 0.00 H new ATOM 0 HB1 ALA A 102 79.682 -1.810 -49.179 1.00 0.00 H new ATOM 0 HB2 ALA A 102 78.866 -0.543 -48.231 1.00 0.00 H new ATOM 0 HB3 ALA A 102 79.496 -0.174 -49.854 1.00 0.00 H new ATOM 1628 N ALA A 103 82.763 -1.743 -49.258 1.00 0.00 N ATOM 1629 CA ALA A 103 83.886 -2.054 -50.194 1.00 0.00 C ATOM 1630 C ALA A 103 83.957 -3.561 -50.458 1.00 0.00 C ATOM 1631 O ALA A 103 83.596 -4.364 -49.618 1.00 0.00 O ATOM 1632 CB ALA A 103 85.147 -1.577 -49.472 1.00 0.00 C ATOM 0 H ALA A 103 82.533 -2.486 -48.598 1.00 0.00 H new ATOM 0 HA ALA A 103 83.761 -1.569 -51.162 1.00 0.00 H new ATOM 0 HB1 ALA A 103 86.019 -1.771 -50.096 1.00 0.00 H new ATOM 0 HB2 ALA A 103 85.071 -0.507 -49.276 1.00 0.00 H new ATOM 0 HB3 ALA A 103 85.250 -2.112 -48.528 1.00 0.00 H new ATOM 1638 N ASN A 104 84.424 -3.948 -51.628 1.00 0.00 N ATOM 1639 CA ASN A 104 84.553 -5.407 -51.977 1.00 0.00 C ATOM 1640 C ASN A 104 83.222 -6.144 -51.761 1.00 0.00 C ATOM 1641 O ASN A 104 83.194 -7.268 -51.291 1.00 0.00 O ATOM 1642 CB ASN A 104 85.639 -5.958 -51.043 1.00 0.00 C ATOM 1643 CG ASN A 104 86.024 -7.371 -51.485 1.00 0.00 C ATOM 1644 OD1 ASN A 104 85.659 -8.340 -50.850 1.00 0.00 O ATOM 1645 ND2 ASN A 104 86.753 -7.531 -52.556 1.00 0.00 N ATOM 0 H ASN A 104 84.724 -3.308 -52.364 1.00 0.00 H new ATOM 0 HA ASN A 104 84.814 -5.546 -53.026 1.00 0.00 H new ATOM 0 HB2 ASN A 104 86.514 -5.308 -51.062 1.00 0.00 H new ATOM 0 HB3 ASN A 104 85.276 -5.973 -50.015 1.00 0.00 H new ATOM 0 HD21 ASN A 104 87.015 -8.469 -52.859 1.00 0.00 H new ATOM 0 HD22 ASN A 104 87.060 -6.718 -53.090 1.00 0.00 H new ATOM 1652 N LEU A 105 82.125 -5.516 -52.104 1.00 0.00 N ATOM 1653 CA LEU A 105 80.792 -6.174 -51.944 1.00 0.00 C ATOM 1654 C LEU A 105 80.235 -6.578 -53.312 1.00 0.00 C ATOM 1655 O LEU A 105 80.090 -5.755 -54.198 1.00 0.00 O ATOM 1656 CB LEU A 105 79.903 -5.112 -51.294 1.00 0.00 C ATOM 1657 CG LEU A 105 78.571 -5.742 -50.882 1.00 0.00 C ATOM 1658 CD1 LEU A 105 78.785 -6.641 -49.662 1.00 0.00 C ATOM 1659 CD2 LEU A 105 77.572 -4.637 -50.529 1.00 0.00 C ATOM 0 H LEU A 105 82.095 -4.572 -52.489 1.00 0.00 H new ATOM 0 HA LEU A 105 80.848 -7.082 -51.344 1.00 0.00 H new ATOM 0 HB2 LEU A 105 80.402 -4.689 -50.422 1.00 0.00 H new ATOM 0 HB3 LEU A 105 79.729 -4.292 -51.991 1.00 0.00 H new ATOM 0 HG LEU A 105 78.181 -6.337 -51.708 1.00 0.00 H new ATOM 0 HD11 LEU A 105 77.836 -7.089 -49.369 1.00 0.00 H new ATOM 0 HD12 LEU A 105 79.497 -7.428 -49.911 1.00 0.00 H new ATOM 0 HD13 LEU A 105 79.175 -6.047 -48.836 1.00 0.00 H new ATOM 0 HD21 LEU A 105 76.623 -5.085 -50.235 1.00 0.00 H new ATOM 0 HD22 LEU A 105 77.964 -4.043 -49.703 1.00 0.00 H new ATOM 0 HD23 LEU A 105 77.417 -3.995 -51.397 1.00 0.00 H new ATOM 1671 N GLU A 106 79.924 -7.840 -53.487 1.00 0.00 N ATOM 1672 CA GLU A 106 79.363 -8.311 -54.790 1.00 0.00 C ATOM 1673 C GLU A 106 78.028 -9.027 -54.561 1.00 0.00 C ATOM 1674 O GLU A 106 77.923 -9.904 -53.725 1.00 0.00 O ATOM 1675 CB GLU A 106 80.408 -9.284 -55.341 1.00 0.00 C ATOM 1676 CG GLU A 106 80.038 -9.681 -56.773 1.00 0.00 C ATOM 1677 CD GLU A 106 81.010 -10.751 -57.276 1.00 0.00 C ATOM 1678 OE1 GLU A 106 81.434 -10.648 -58.416 1.00 0.00 O ATOM 1679 OE2 GLU A 106 81.311 -11.658 -56.517 1.00 0.00 O ATOM 0 H GLU A 106 80.036 -8.566 -52.779 1.00 0.00 H new ATOM 0 HA GLU A 106 79.168 -7.489 -55.479 1.00 0.00 H new ATOM 0 HB2 GLU A 106 81.395 -8.821 -55.325 1.00 0.00 H new ATOM 0 HB3 GLU A 106 80.462 -10.171 -54.710 1.00 0.00 H new ATOM 0 HG2 GLU A 106 79.016 -10.060 -56.804 1.00 0.00 H new ATOM 0 HG3 GLU A 106 80.074 -8.808 -57.424 1.00 0.00 H new ATOM 1686 N LYS A 107 77.011 -8.655 -55.300 1.00 0.00 N ATOM 1687 CA LYS A 107 75.678 -9.314 -55.145 1.00 0.00 C ATOM 1688 C LYS A 107 75.085 -9.636 -56.520 1.00 0.00 C ATOM 1689 O LYS A 107 75.118 -8.822 -57.423 1.00 0.00 O ATOM 1690 CB LYS A 107 74.808 -8.290 -54.414 1.00 0.00 C ATOM 1691 CG LYS A 107 75.339 -8.088 -52.992 1.00 0.00 C ATOM 1692 CD LYS A 107 74.404 -7.149 -52.227 1.00 0.00 C ATOM 1693 CE LYS A 107 74.998 -6.850 -50.848 1.00 0.00 C ATOM 1694 NZ LYS A 107 74.599 -8.007 -50.000 1.00 0.00 N ATOM 0 H LYS A 107 77.048 -7.920 -56.006 1.00 0.00 H new ATOM 0 HA LYS A 107 75.745 -10.254 -54.598 1.00 0.00 H new ATOM 0 HB2 LYS A 107 74.813 -7.343 -54.953 1.00 0.00 H new ATOM 0 HB3 LYS A 107 73.774 -8.633 -54.382 1.00 0.00 H new ATOM 0 HG2 LYS A 107 75.408 -9.047 -52.479 1.00 0.00 H new ATOM 0 HG3 LYS A 107 76.345 -7.670 -53.024 1.00 0.00 H new ATOM 0 HD2 LYS A 107 74.266 -6.222 -52.784 1.00 0.00 H new ATOM 0 HD3 LYS A 107 73.420 -7.606 -52.120 1.00 0.00 H new ATOM 0 HE2 LYS A 107 76.082 -6.752 -50.898 1.00 0.00 H new ATOM 0 HE3 LYS A 107 74.611 -5.914 -50.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 74.896 -7.836 -49.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 73.566 -8.123 -50.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 75.056 -8.871 -50.355 1.00 0.00 H new ATOM 1708 N PHE A 108 74.544 -10.820 -56.679 1.00 0.00 N ATOM 1709 CA PHE A 108 73.919 -11.198 -57.985 1.00 0.00 C ATOM 1710 C PHE A 108 72.386 -11.172 -57.886 1.00 0.00 C ATOM 1711 O PHE A 108 71.701 -11.802 -58.670 1.00 0.00 O ATOM 1712 CB PHE A 108 74.411 -12.619 -58.259 1.00 0.00 C ATOM 1713 CG PHE A 108 75.905 -12.711 -58.467 1.00 0.00 C ATOM 1714 CD1 PHE A 108 76.457 -12.465 -59.748 1.00 0.00 C ATOM 1715 CD2 PHE A 108 76.752 -13.041 -57.382 1.00 0.00 C ATOM 1716 CE1 PHE A 108 77.857 -12.550 -59.943 1.00 0.00 C ATOM 1717 CE2 PHE A 108 78.152 -13.127 -57.577 1.00 0.00 C ATOM 1718 CZ PHE A 108 78.704 -12.881 -58.858 1.00 0.00 C ATOM 0 H PHE A 108 74.508 -11.542 -55.959 1.00 0.00 H new ATOM 0 HA PHE A 108 74.190 -10.505 -58.781 1.00 0.00 H new ATOM 0 HB2 PHE A 108 74.128 -13.260 -57.424 1.00 0.00 H new ATOM 0 HB3 PHE A 108 73.905 -13.006 -59.143 1.00 0.00 H new ATOM 0 HD1 PHE A 108 75.811 -12.213 -60.576 1.00 0.00 H new ATOM 0 HD2 PHE A 108 76.330 -13.227 -56.405 1.00 0.00 H new ATOM 0 HE1 PHE A 108 78.279 -12.362 -60.919 1.00 0.00 H new ATOM 0 HE2 PHE A 108 78.798 -13.380 -56.750 1.00 0.00 H new ATOM 0 HZ PHE A 108 79.772 -12.946 -59.007 1.00 0.00 H new ATOM 1728 N ASP A 109 71.844 -10.448 -56.931 1.00 0.00 N ATOM 1729 CA ASP A 109 70.353 -10.391 -56.778 1.00 0.00 C ATOM 1730 C ASP A 109 69.726 -9.664 -57.972 1.00 0.00 C ATOM 1731 O ASP A 109 68.661 -10.026 -58.436 1.00 0.00 O ATOM 1732 CB ASP A 109 70.105 -9.607 -55.485 1.00 0.00 C ATOM 1733 CG ASP A 109 68.629 -9.717 -55.096 1.00 0.00 C ATOM 1734 OD1 ASP A 109 68.059 -8.704 -54.724 1.00 0.00 O ATOM 1735 OD2 ASP A 109 68.094 -10.809 -55.173 1.00 0.00 O ATOM 0 H ASP A 109 72.369 -9.896 -56.253 1.00 0.00 H new ATOM 0 HA ASP A 109 69.909 -11.386 -56.739 1.00 0.00 H new ATOM 0 HB2 ASP A 109 70.733 -9.998 -54.684 1.00 0.00 H new ATOM 0 HB3 ASP A 109 70.379 -8.561 -55.623 1.00 0.00 H new ATOM 1740 N LYS A 110 70.383 -8.643 -58.466 1.00 0.00 N ATOM 1741 CA LYS A 110 69.834 -7.881 -59.630 1.00 0.00 C ATOM 1742 C LYS A 110 70.561 -8.283 -60.916 1.00 0.00 C ATOM 1743 O LYS A 110 71.725 -7.977 -61.100 1.00 0.00 O ATOM 1744 CB LYS A 110 70.102 -6.410 -59.302 1.00 0.00 C ATOM 1745 CG LYS A 110 69.256 -5.989 -58.099 1.00 0.00 C ATOM 1746 CD LYS A 110 69.456 -4.495 -57.832 1.00 0.00 C ATOM 1747 CE LYS A 110 68.699 -4.096 -56.561 1.00 0.00 C ATOM 1748 NZ LYS A 110 67.305 -3.831 -57.013 1.00 0.00 N ATOM 0 H LYS A 110 71.278 -8.304 -58.112 1.00 0.00 H new ATOM 0 HA LYS A 110 68.774 -8.078 -59.789 1.00 0.00 H new ATOM 0 HB2 LYS A 110 71.160 -6.263 -59.085 1.00 0.00 H new ATOM 0 HB3 LYS A 110 69.863 -5.786 -60.163 1.00 0.00 H new ATOM 0 HG2 LYS A 110 68.203 -6.197 -58.290 1.00 0.00 H new ATOM 0 HG3 LYS A 110 69.541 -6.568 -57.220 1.00 0.00 H new ATOM 0 HD2 LYS A 110 70.517 -4.274 -57.720 1.00 0.00 H new ATOM 0 HD3 LYS A 110 69.097 -3.912 -58.680 1.00 0.00 H new ATOM 0 HE2 LYS A 110 68.729 -4.892 -55.817 1.00 0.00 H new ATOM 0 HE3 LYS A 110 69.140 -3.212 -56.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 66.744 -3.470 -56.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 67.316 -3.124 -57.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 66.880 -4.713 -57.364 1.00 0.00 H new ATOM 1762 N LYS A 111 69.880 -8.967 -61.803 1.00 0.00 N ATOM 1763 CA LYS A 111 70.511 -9.375 -63.094 1.00 0.00 C ATOM 1764 C LYS A 111 69.500 -9.250 -64.237 1.00 0.00 C ATOM 1765 O LYS A 111 68.413 -9.796 -64.176 1.00 0.00 O ATOM 1766 CB LYS A 111 70.918 -10.836 -62.891 1.00 0.00 C ATOM 1767 CG LYS A 111 71.763 -11.304 -64.078 1.00 0.00 C ATOM 1768 CD LYS A 111 72.255 -12.732 -63.827 1.00 0.00 C ATOM 1769 CE LYS A 111 71.083 -13.708 -63.964 1.00 0.00 C ATOM 1770 NZ LYS A 111 71.708 -15.004 -64.349 1.00 0.00 N ATOM 0 H LYS A 111 68.910 -9.261 -61.686 1.00 0.00 H new ATOM 0 HA LYS A 111 71.364 -8.749 -63.355 1.00 0.00 H new ATOM 0 HB2 LYS A 111 71.484 -10.941 -61.965 1.00 0.00 H new ATOM 0 HB3 LYS A 111 70.030 -11.461 -62.795 1.00 0.00 H new ATOM 0 HG2 LYS A 111 71.173 -11.268 -64.994 1.00 0.00 H new ATOM 0 HG3 LYS A 111 72.612 -10.635 -64.219 1.00 0.00 H new ATOM 0 HD2 LYS A 111 73.040 -12.988 -64.539 1.00 0.00 H new ATOM 0 HD3 LYS A 111 72.691 -12.808 -62.831 1.00 0.00 H new ATOM 0 HE2 LYS A 111 70.532 -13.798 -63.028 1.00 0.00 H new ATOM 0 HE3 LYS A 111 70.374 -13.371 -64.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 70.968 -15.726 -64.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 72.220 -14.889 -65.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 72.373 -15.303 -63.607 1.00 0.00 H new ATOM 1784 N GLN A 112 69.853 -8.532 -65.283 1.00 0.00 N ATOM 1785 CA GLN A 112 68.927 -8.348 -66.456 1.00 0.00 C ATOM 1786 C GLN A 112 67.549 -7.848 -65.996 1.00 0.00 C ATOM 1787 O GLN A 112 66.668 -8.631 -65.694 1.00 0.00 O ATOM 1788 CB GLN A 112 68.812 -9.729 -67.113 1.00 0.00 C ATOM 1789 CG GLN A 112 70.169 -10.134 -67.696 1.00 0.00 C ATOM 1790 CD GLN A 112 70.039 -11.484 -68.404 1.00 0.00 C ATOM 1791 OE1 GLN A 112 69.041 -11.756 -69.042 1.00 0.00 O ATOM 1792 NE2 GLN A 112 71.013 -12.348 -68.318 1.00 0.00 N ATOM 0 H GLN A 112 70.753 -8.060 -65.375 1.00 0.00 H new ATOM 0 HA GLN A 112 69.309 -7.601 -67.152 1.00 0.00 H new ATOM 0 HB2 GLN A 112 68.485 -10.466 -66.379 1.00 0.00 H new ATOM 0 HB3 GLN A 112 68.058 -9.707 -67.900 1.00 0.00 H new ATOM 0 HG2 GLN A 112 70.516 -9.376 -68.398 1.00 0.00 H new ATOM 0 HG3 GLN A 112 70.913 -10.198 -66.902 1.00 0.00 H new ATOM 0 HE21 GLN A 112 71.851 -12.120 -67.783 1.00 0.00 H new ATOM 0 HE22 GLN A 112 70.937 -13.251 -68.786 1.00 0.00 H new ATOM 1801 N VAL A 113 67.366 -6.544 -65.946 1.00 0.00 N ATOM 1802 CA VAL A 113 66.057 -5.946 -65.494 1.00 0.00 C ATOM 1803 C VAL A 113 65.706 -6.415 -64.071 1.00 0.00 C ATOM 1804 O VAL A 113 66.276 -7.362 -63.560 1.00 0.00 O ATOM 1805 CB VAL A 113 64.992 -6.414 -66.508 1.00 0.00 C ATOM 1806 CG1 VAL A 113 63.645 -5.759 -66.186 1.00 0.00 C ATOM 1807 CG2 VAL A 113 65.412 -6.012 -67.926 1.00 0.00 C ATOM 0 H VAL A 113 68.077 -5.859 -66.202 1.00 0.00 H new ATOM 0 HA VAL A 113 66.112 -4.858 -65.459 1.00 0.00 H new ATOM 0 HB VAL A 113 64.899 -7.498 -66.445 1.00 0.00 H new ATOM 0 HG11 VAL A 113 62.897 -6.093 -66.905 1.00 0.00 H new ATOM 0 HG12 VAL A 113 63.334 -6.042 -65.181 1.00 0.00 H new ATOM 0 HG13 VAL A 113 63.745 -4.675 -66.243 1.00 0.00 H new ATOM 0 HG21 VAL A 113 64.656 -6.345 -68.637 1.00 0.00 H new ATOM 0 HG22 VAL A 113 65.511 -4.928 -67.983 1.00 0.00 H new ATOM 0 HG23 VAL A 113 66.368 -6.477 -68.168 1.00 0.00 H new ATOM 1817 N PHE A 114 64.772 -5.752 -63.433 1.00 0.00 N ATOM 1818 CA PHE A 114 64.368 -6.151 -62.050 1.00 0.00 C ATOM 1819 C PHE A 114 63.066 -6.957 -62.090 1.00 0.00 C ATOM 1820 O PHE A 114 62.126 -6.598 -62.775 1.00 0.00 O ATOM 1821 CB PHE A 114 64.161 -4.831 -61.303 1.00 0.00 C ATOM 1822 CG PHE A 114 63.809 -5.012 -59.845 1.00 0.00 C ATOM 1823 CD1 PHE A 114 62.459 -4.912 -59.425 1.00 0.00 C ATOM 1824 CD2 PHE A 114 64.826 -5.284 -58.898 1.00 0.00 C ATOM 1825 CE1 PHE A 114 62.128 -5.082 -58.059 1.00 0.00 C ATOM 1826 CE2 PHE A 114 64.494 -5.454 -57.531 1.00 0.00 C ATOM 1827 CZ PHE A 114 63.145 -5.353 -57.112 1.00 0.00 C ATOM 0 H PHE A 114 64.271 -4.949 -63.813 1.00 0.00 H new ATOM 0 HA PHE A 114 65.115 -6.781 -61.566 1.00 0.00 H new ATOM 0 HB2 PHE A 114 65.070 -4.234 -61.378 1.00 0.00 H new ATOM 0 HB3 PHE A 114 63.368 -4.266 -61.793 1.00 0.00 H new ATOM 0 HD1 PHE A 114 61.683 -4.706 -60.147 1.00 0.00 H new ATOM 0 HD2 PHE A 114 65.855 -5.362 -59.218 1.00 0.00 H new ATOM 0 HE1 PHE A 114 61.099 -5.005 -57.739 1.00 0.00 H new ATOM 0 HE2 PHE A 114 65.270 -5.661 -56.809 1.00 0.00 H new ATOM 0 HZ PHE A 114 62.892 -5.483 -56.070 1.00 0.00 H new ATOM 1837 N ALA A 115 63.010 -8.043 -61.358 1.00 0.00 N ATOM 1838 CA ALA A 115 61.764 -8.873 -61.326 1.00 0.00 C ATOM 1839 C ALA A 115 60.706 -8.202 -60.447 1.00 0.00 C ATOM 1840 O ALA A 115 61.015 -7.353 -59.631 1.00 0.00 O ATOM 1841 CB ALA A 115 62.184 -10.218 -60.728 1.00 0.00 C ATOM 0 H ALA A 115 63.775 -8.391 -60.780 1.00 0.00 H new ATOM 0 HA ALA A 115 61.328 -8.993 -62.318 1.00 0.00 H new ATOM 0 HB1 ALA A 115 61.319 -10.878 -60.674 1.00 0.00 H new ATOM 0 HB2 ALA A 115 62.949 -10.673 -61.357 1.00 0.00 H new ATOM 0 HB3 ALA A 115 62.584 -10.062 -59.726 1.00 0.00 H new ATOM 1847 N GLU A 116 59.453 -8.578 -60.610 1.00 0.00 N ATOM 1848 CA GLU A 116 58.340 -7.973 -59.795 1.00 0.00 C ATOM 1849 C GLU A 116 58.370 -6.439 -59.876 1.00 0.00 C ATOM 1850 O GLU A 116 59.161 -5.864 -60.601 1.00 0.00 O ATOM 1851 CB GLU A 116 58.576 -8.441 -58.355 1.00 0.00 C ATOM 1852 CG GLU A 116 58.403 -9.960 -58.274 1.00 0.00 C ATOM 1853 CD GLU A 116 58.567 -10.416 -56.823 1.00 0.00 C ATOM 1854 OE1 GLU A 116 59.695 -10.464 -56.361 1.00 0.00 O ATOM 1855 OE2 GLU A 116 57.561 -10.709 -56.197 1.00 0.00 O ATOM 0 H GLU A 116 59.151 -9.286 -61.280 1.00 0.00 H new ATOM 0 HA GLU A 116 57.363 -8.285 -60.165 1.00 0.00 H new ATOM 0 HB2 GLU A 116 59.578 -8.161 -58.031 1.00 0.00 H new ATOM 0 HB3 GLU A 116 57.874 -7.948 -57.682 1.00 0.00 H new ATOM 0 HG2 GLU A 116 57.419 -10.245 -58.647 1.00 0.00 H new ATOM 0 HG3 GLU A 116 59.139 -10.455 -58.907 1.00 0.00 H new ATOM 1862 N PHE A 117 57.511 -5.782 -59.133 1.00 0.00 N ATOM 1863 CA PHE A 117 57.470 -4.287 -59.163 1.00 0.00 C ATOM 1864 C PHE A 117 57.675 -3.722 -57.754 1.00 0.00 C ATOM 1865 O PHE A 117 57.417 -4.388 -56.768 1.00 0.00 O ATOM 1866 CB PHE A 117 56.073 -3.941 -59.679 1.00 0.00 C ATOM 1867 CG PHE A 117 55.811 -4.433 -61.083 1.00 0.00 C ATOM 1868 CD1 PHE A 117 55.152 -5.669 -61.289 1.00 0.00 C ATOM 1869 CD2 PHE A 117 56.225 -3.658 -62.194 1.00 0.00 C ATOM 1870 CE1 PHE A 117 54.906 -6.131 -62.605 1.00 0.00 C ATOM 1871 CE2 PHE A 117 55.980 -4.120 -63.510 1.00 0.00 C ATOM 1872 CZ PHE A 117 55.320 -5.356 -63.716 1.00 0.00 C ATOM 0 H PHE A 117 56.835 -6.219 -58.506 1.00 0.00 H new ATOM 0 HA PHE A 117 58.255 -3.865 -59.791 1.00 0.00 H new ATOM 0 HB2 PHE A 117 55.329 -4.370 -59.007 1.00 0.00 H new ATOM 0 HB3 PHE A 117 55.941 -2.859 -59.651 1.00 0.00 H new ATOM 0 HD1 PHE A 117 54.837 -6.260 -60.442 1.00 0.00 H new ATOM 0 HD2 PHE A 117 56.727 -2.715 -62.037 1.00 0.00 H new ATOM 0 HE1 PHE A 117 54.403 -7.074 -62.761 1.00 0.00 H new ATOM 0 HE2 PHE A 117 56.297 -3.529 -64.357 1.00 0.00 H new ATOM 0 HZ PHE A 117 55.132 -5.708 -64.720 1.00 0.00 H new ATOM 1882 N ARG A 118 58.139 -2.499 -57.658 1.00 0.00 N ATOM 1883 CA ARG A 118 58.355 -1.874 -56.313 1.00 0.00 C ATOM 1884 C ARG A 118 57.008 -1.590 -55.642 1.00 0.00 C ATOM 1885 O ARG A 118 56.004 -1.401 -56.306 1.00 0.00 O ATOM 1886 CB ARG A 118 59.103 -0.566 -56.585 1.00 0.00 C ATOM 1887 CG ARG A 118 60.502 -0.878 -57.126 1.00 0.00 C ATOM 1888 CD ARG A 118 61.297 0.423 -57.277 1.00 0.00 C ATOM 1889 NE ARG A 118 60.591 1.194 -58.349 1.00 0.00 N ATOM 1890 CZ ARG A 118 60.711 0.874 -59.624 1.00 0.00 C ATOM 1891 NH1 ARG A 118 61.443 -0.144 -60.014 1.00 0.00 N ATOM 1892 NH2 ARG A 118 60.084 1.586 -60.520 1.00 0.00 N ATOM 0 H ARG A 118 58.378 -1.906 -58.453 1.00 0.00 H new ATOM 0 HA ARG A 118 58.916 -2.527 -55.645 1.00 0.00 H new ATOM 0 HB2 ARG A 118 58.550 0.038 -57.304 1.00 0.00 H new ATOM 0 HB3 ARG A 118 59.178 0.019 -55.668 1.00 0.00 H new ATOM 0 HG2 ARG A 118 61.021 -1.557 -56.450 1.00 0.00 H new ATOM 0 HG3 ARG A 118 60.426 -1.383 -58.089 1.00 0.00 H new ATOM 0 HD2 ARG A 118 61.320 0.981 -56.341 1.00 0.00 H new ATOM 0 HD3 ARG A 118 62.332 0.222 -57.554 1.00 0.00 H new ATOM 0 HE ARG A 118 60.003 1.986 -58.088 1.00 0.00 H new ATOM 0 HH11 ARG A 118 61.937 -0.711 -59.325 1.00 0.00 H new ATOM 0 HH12 ARG A 118 61.518 -0.368 -61.006 1.00 0.00 H new ATOM 0 HH21 ARG A 118 59.510 2.378 -60.232 1.00 0.00 H new ATOM 0 HH22 ARG A 118 60.168 1.350 -61.509 1.00 0.00 H new ATOM 1906 N GLU A 119 56.983 -1.558 -54.331 1.00 0.00 N ATOM 1907 CA GLU A 119 55.704 -1.294 -53.603 1.00 0.00 C ATOM 1908 C GLU A 119 55.569 0.201 -53.300 1.00 0.00 C ATOM 1909 O GLU A 119 56.526 0.855 -52.929 1.00 0.00 O ATOM 1910 CB GLU A 119 55.812 -2.100 -52.306 1.00 0.00 C ATOM 1911 CG GLU A 119 54.468 -2.077 -51.573 1.00 0.00 C ATOM 1912 CD GLU A 119 54.611 -2.771 -50.215 1.00 0.00 C ATOM 1913 OE1 GLU A 119 53.723 -3.531 -49.866 1.00 0.00 O ATOM 1914 OE2 GLU A 119 55.603 -2.528 -49.548 1.00 0.00 O ATOM 0 H GLU A 119 57.796 -1.704 -53.733 1.00 0.00 H new ATOM 0 HA GLU A 119 54.829 -1.579 -54.186 1.00 0.00 H new ATOM 0 HB2 GLU A 119 56.099 -3.128 -52.528 1.00 0.00 H new ATOM 0 HB3 GLU A 119 56.592 -1.681 -51.670 1.00 0.00 H new ATOM 0 HG2 GLU A 119 54.136 -1.048 -51.434 1.00 0.00 H new ATOM 0 HG3 GLU A 119 53.708 -2.579 -52.171 1.00 0.00 H new ATOM 1921 N LYS A 120 54.384 0.743 -53.458 1.00 0.00 N ATOM 1922 CA LYS A 120 54.174 2.202 -53.202 1.00 0.00 C ATOM 1923 C LYS A 120 52.927 2.420 -52.335 1.00 0.00 C ATOM 1924 O LYS A 120 52.187 3.368 -52.526 1.00 0.00 O ATOM 1925 CB LYS A 120 54.004 2.839 -54.592 1.00 0.00 C ATOM 1926 CG LYS A 120 52.790 2.238 -55.316 1.00 0.00 C ATOM 1927 CD LYS A 120 52.702 2.815 -56.731 1.00 0.00 C ATOM 1928 CE LYS A 120 51.360 2.429 -57.357 1.00 0.00 C ATOM 1929 NZ LYS A 120 50.392 3.438 -56.842 1.00 0.00 N ATOM 0 H LYS A 120 53.551 0.234 -53.754 1.00 0.00 H new ATOM 0 HA LYS A 120 55.007 2.648 -52.659 1.00 0.00 H new ATOM 0 HB2 LYS A 120 53.877 3.917 -54.491 1.00 0.00 H new ATOM 0 HB3 LYS A 120 54.904 2.678 -55.185 1.00 0.00 H new ATOM 0 HG2 LYS A 120 52.880 1.153 -55.359 1.00 0.00 H new ATOM 0 HG3 LYS A 120 51.877 2.460 -54.764 1.00 0.00 H new ATOM 0 HD2 LYS A 120 52.802 3.900 -56.700 1.00 0.00 H new ATOM 0 HD3 LYS A 120 53.522 2.437 -57.341 1.00 0.00 H new ATOM 0 HE2 LYS A 120 51.411 2.450 -58.446 1.00 0.00 H new ATOM 0 HE3 LYS A 120 51.067 1.419 -57.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 49.486 2.973 -56.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 50.770 3.870 -55.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 50.244 4.175 -57.560 1.00 0.00 H new ATOM 1943 N ASP A 121 52.694 1.546 -51.386 1.00 0.00 N ATOM 1944 CA ASP A 121 51.499 1.687 -50.500 1.00 0.00 C ATOM 1945 C ASP A 121 51.894 2.359 -49.181 1.00 0.00 C ATOM 1946 O ASP A 121 51.016 2.902 -48.530 1.00 0.00 O ATOM 1947 CB ASP A 121 51.018 0.256 -50.251 1.00 0.00 C ATOM 1948 CG ASP A 121 49.657 0.286 -49.551 1.00 0.00 C ATOM 1949 OD1 ASP A 121 48.816 1.069 -49.964 1.00 0.00 O ATOM 1950 OD2 ASP A 121 49.478 -0.474 -48.615 1.00 0.00 O ATOM 1951 OXT ASP A 121 53.066 2.318 -48.847 1.00 0.00 O ATOM 0 H ASP A 121 53.284 0.738 -51.187 1.00 0.00 H new ATOM 0 HA ASP A 121 50.722 2.305 -50.950 1.00 0.00 H new ATOM 0 HB2 ASP A 121 50.940 -0.282 -51.196 1.00 0.00 H new ATOM 0 HB3 ASP A 121 51.742 -0.280 -49.637 1.00 0.00 H new TER 1956 ASP A 121