USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 664 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 TYR OH : rot 165:sc= 1.07 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 134:sc= 1.14 (180deg=0) USER MOD Set 2.1: A 35 GLN : amide:sc= 0.00182 X(o=0.0046,f=0.26) USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0.00279 USER MOD Set 3.1: A 36 SER OG : rot -52:sc= 1.11 USER MOD Set 3.2: A 46 GLN : amide:sc= 0.877 K(o=2,f=-2.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.0678 (180deg=-0.168) USER MOD Single : A 3 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.39) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 6 HIS : no HD1:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= 0.841 K(o=0.84,f=-2.6!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.0558 F(o=-0.85,f=-0.056) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 174:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0849 K(o=-0.085,f=-2.3!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0809 (180deg=-0.465) USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= 1.23 (180deg=-0.54) USER MOD Single : A 33 MET CE :methyl 166:sc= -0.0583 (180deg=-0.371) USER MOD Single : A 34 ASN : amide:sc= -0.048 X(o=-0.048,f=-0.42) USER MOD Single : A 37 SER OG : rot -135:sc= 1.3 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -3.05! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 160:sc= -0.124 (180deg=-0.611) USER MOD Single : A 51 SER OG : rot 73:sc= 0.87 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 55 SER OG : rot -170:sc= 0.221 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0517 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.015) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= -4.11! (180deg=-7.06!) USER MOD Single : A 66 CYS SG : rot 86:sc= -1.22 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 74 LYS NZ :NH3+ -125:sc= 1.81 (180deg=0.312) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= -0.0547 (180deg=-0.368) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0695) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.001 -11.750 10.727 1.00 5.11 N ATOM 2 CA MET A 1 16.851 -11.259 11.849 1.00 4.14 C ATOM 3 C MET A 1 18.266 -11.857 11.780 1.00 65.42 C ATOM 4 O MET A 1 18.585 -12.618 10.864 1.00 54.32 O ATOM 5 CB MET A 1 16.196 -11.584 13.200 1.00 40.01 C ATOM 6 CG MET A 1 14.858 -10.886 13.410 1.00 55.31 C ATOM 7 SD MET A 1 14.116 -11.266 15.009 1.00 43.43 S ATOM 8 CE MET A 1 12.616 -10.286 14.939 1.00 44.43 C ATOM 0 H1 MET A 1 15.505 -10.947 10.290 1.00 5.11 H new ATOM 0 H2 MET A 1 16.600 -12.216 10.016 1.00 5.11 H new ATOM 0 H3 MET A 1 15.304 -12.430 11.092 1.00 5.11 H new ATOM 0 HA MET A 1 16.940 -10.177 11.754 1.00 4.14 H new ATOM 0 HB2 MET A 1 16.050 -12.662 13.274 1.00 40.01 H new ATOM 0 HB3 MET A 1 16.876 -11.298 14.003 1.00 40.01 H new ATOM 0 HG2 MET A 1 14.998 -9.808 13.326 1.00 55.31 H new ATOM 0 HG3 MET A 1 14.171 -11.180 12.617 1.00 55.31 H new ATOM 0 HE1 MET A 1 12.051 -10.419 15.862 1.00 44.43 H new ATOM 0 HE2 MET A 1 12.874 -9.234 14.820 1.00 44.43 H new ATOM 0 HE3 MET A 1 12.010 -10.609 14.093 1.00 44.43 H new ATOM 20 N GLY A 2 19.113 -11.511 12.751 1.00 75.45 N ATOM 21 CA GLY A 2 20.493 -11.987 12.752 1.00 13.33 C ATOM 22 C GLY A 2 21.412 -11.125 11.894 1.00 43.14 C ATOM 23 O GLY A 2 21.814 -10.034 12.302 1.00 71.01 O ATOM 0 H GLY A 2 18.869 -10.909 13.538 1.00 75.45 H new ATOM 0 HA2 GLY A 2 20.867 -12.003 13.776 1.00 13.33 H new ATOM 0 HA3 GLY A 2 20.519 -13.014 12.387 1.00 13.33 H new ATOM 27 N HIS A 3 21.755 -11.614 10.706 1.00 43.42 N ATOM 28 CA HIS A 3 22.563 -10.837 9.763 1.00 35.01 C ATOM 29 C HIS A 3 21.729 -9.704 9.136 1.00 34.34 C ATOM 30 O HIS A 3 20.812 -9.949 8.351 1.00 61.51 O ATOM 31 CB HIS A 3 23.145 -11.746 8.672 1.00 62.12 C ATOM 32 CG HIS A 3 24.283 -12.610 9.143 1.00 10.31 C ATOM 33 ND1 HIS A 3 24.281 -13.280 10.349 1.00 73.13 N ATOM 34 CD2 HIS A 3 25.472 -12.903 8.561 1.00 61.15 C ATOM 35 CE1 HIS A 3 25.411 -13.943 10.487 1.00 54.34 C ATOM 36 NE2 HIS A 3 26.152 -13.735 9.418 1.00 41.24 N ATOM 0 H HIS A 3 21.489 -12.540 10.372 1.00 43.42 H new ATOM 0 HA HIS A 3 23.390 -10.388 10.313 1.00 35.01 H new ATOM 0 HB2 HIS A 3 22.352 -12.386 8.284 1.00 62.12 H new ATOM 0 HB3 HIS A 3 23.490 -11.128 7.843 1.00 62.12 H new ATOM 0 HD2 HIS A 3 25.820 -12.548 7.602 1.00 61.15 H new ATOM 0 HE1 HIS A 3 25.684 -14.554 11.334 1.00 54.34 H new ATOM 0 HE2 HIS A 3 27.079 -14.127 9.253 1.00 41.24 H new ATOM 45 N HIS A 4 22.067 -8.469 9.496 1.00 72.53 N ATOM 46 CA HIS A 4 21.316 -7.281 9.070 1.00 34.11 C ATOM 47 C HIS A 4 21.389 -7.074 7.544 1.00 41.01 C ATOM 48 O HIS A 4 22.274 -6.384 7.041 1.00 31.23 O ATOM 49 CB HIS A 4 21.861 -6.052 9.818 1.00 64.25 C ATOM 50 CG HIS A 4 21.098 -4.780 9.594 1.00 43.24 C ATOM 51 ND1 HIS A 4 21.678 -3.629 9.101 1.00 13.30 N ATOM 52 CD2 HIS A 4 19.803 -4.464 9.839 1.00 44.11 C ATOM 53 CE1 HIS A 4 20.781 -2.668 9.056 1.00 73.03 C ATOM 54 NE2 HIS A 4 19.636 -3.146 9.495 1.00 35.42 N ATOM 0 H HIS A 4 22.868 -8.258 10.091 1.00 72.53 H new ATOM 0 HA HIS A 4 20.264 -7.424 9.316 1.00 34.11 H new ATOM 0 HB2 HIS A 4 21.868 -6.270 10.886 1.00 64.25 H new ATOM 0 HB3 HIS A 4 22.897 -5.894 9.518 1.00 64.25 H new ATOM 0 HD2 HIS A 4 19.045 -5.125 10.231 1.00 44.11 H new ATOM 0 HE1 HIS A 4 20.955 -1.658 8.716 1.00 73.03 H new ATOM 0 HE2 HIS A 4 18.764 -2.621 9.568 1.00 35.42 H new ATOM 63 N HIS A 5 20.457 -7.690 6.815 1.00 1.43 N ATOM 64 CA HIS A 5 20.405 -7.584 5.348 1.00 64.10 C ATOM 65 C HIS A 5 19.618 -6.347 4.893 1.00 44.31 C ATOM 66 O HIS A 5 18.567 -6.023 5.456 1.00 55.11 O ATOM 67 CB HIS A 5 19.753 -8.834 4.740 1.00 5.00 C ATOM 68 CG HIS A 5 20.429 -10.120 5.098 1.00 11.31 C ATOM 69 ND1 HIS A 5 19.805 -11.121 5.808 1.00 72.23 N ATOM 70 CD2 HIS A 5 21.670 -10.584 4.818 1.00 70.22 C ATOM 71 CE1 HIS A 5 20.627 -12.137 5.951 1.00 40.21 C ATOM 72 NE2 HIS A 5 21.766 -11.843 5.359 1.00 42.43 N ATOM 0 H HIS A 5 19.722 -8.272 7.216 1.00 1.43 H new ATOM 0 HA HIS A 5 21.434 -7.492 5.001 1.00 64.10 H new ATOM 0 HB2 HIS A 5 18.714 -8.881 5.065 1.00 5.00 H new ATOM 0 HB3 HIS A 5 19.743 -8.733 3.655 1.00 5.00 H new ATOM 0 HD2 HIS A 5 22.441 -10.061 4.271 1.00 70.22 H new ATOM 0 HE1 HIS A 5 20.405 -13.059 6.468 1.00 40.21 H new ATOM 0 HE2 HIS A 5 22.584 -12.450 5.310 1.00 42.43 H new ATOM 81 N HIS A 6 20.123 -5.675 3.861 1.00 51.42 N ATOM 82 CA HIS A 6 19.449 -4.513 3.270 1.00 74.44 C ATOM 83 C HIS A 6 19.059 -4.791 1.811 1.00 34.12 C ATOM 84 O HIS A 6 19.835 -5.374 1.051 1.00 71.43 O ATOM 85 CB HIS A 6 20.357 -3.277 3.341 1.00 63.31 C ATOM 86 CG HIS A 6 19.731 -2.032 2.785 1.00 3.35 C ATOM 87 ND1 HIS A 6 20.013 -1.538 1.529 1.00 54.33 N ATOM 88 CD2 HIS A 6 18.830 -1.178 3.324 1.00 21.13 C ATOM 89 CE1 HIS A 6 19.320 -0.439 1.323 1.00 11.52 C ATOM 90 NE2 HIS A 6 18.593 -0.198 2.394 1.00 54.51 N ATOM 0 H HIS A 6 21.006 -5.916 3.410 1.00 51.42 H new ATOM 0 HA HIS A 6 18.541 -4.322 3.841 1.00 74.44 H new ATOM 0 HB2 HIS A 6 20.633 -3.100 4.380 1.00 63.31 H new ATOM 0 HB3 HIS A 6 21.279 -3.483 2.797 1.00 63.31 H new ATOM 0 HD2 HIS A 6 18.381 -1.254 4.303 1.00 21.13 H new ATOM 0 HE1 HIS A 6 19.343 0.164 0.427 1.00 11.52 H new ATOM 0 HE2 HIS A 6 17.956 0.590 2.513 1.00 54.51 H new ATOM 99 N HIS A 7 17.860 -4.367 1.421 1.00 70.12 N ATOM 100 CA HIS A 7 17.382 -4.558 0.050 1.00 53.50 C ATOM 101 C HIS A 7 17.927 -3.476 -0.891 1.00 2.35 C ATOM 102 O HIS A 7 17.818 -2.282 -0.612 1.00 20.32 O ATOM 103 CB HIS A 7 15.850 -4.551 0.009 1.00 22.33 C ATOM 104 CG HIS A 7 15.224 -5.683 0.765 1.00 3.11 C ATOM 105 ND1 HIS A 7 14.501 -5.508 1.924 1.00 50.11 N ATOM 106 CD2 HIS A 7 15.198 -7.011 0.510 1.00 43.04 C ATOM 107 CE1 HIS A 7 14.059 -6.674 2.347 1.00 62.34 C ATOM 108 NE2 HIS A 7 14.465 -7.605 1.509 1.00 75.44 N ATOM 0 H HIS A 7 17.200 -3.888 2.033 1.00 70.12 H new ATOM 0 HA HIS A 7 17.748 -5.526 -0.291 1.00 53.50 H new ATOM 0 HB2 HIS A 7 15.488 -3.608 0.419 1.00 22.33 H new ATOM 0 HB3 HIS A 7 15.523 -4.594 -1.030 1.00 22.33 H new ATOM 0 HD2 HIS A 7 15.667 -7.512 -0.324 1.00 43.04 H new ATOM 0 HE1 HIS A 7 13.463 -6.839 3.233 1.00 62.34 H new ATOM 0 HE2 HIS A 7 14.268 -8.603 1.588 1.00 75.44 H new ATOM 117 N HIS A 8 18.508 -3.905 -2.006 1.00 51.01 N ATOM 118 CA HIS A 8 19.018 -2.978 -3.018 1.00 73.11 C ATOM 119 C HIS A 8 17.860 -2.389 -3.847 1.00 63.43 C ATOM 120 O HIS A 8 18.009 -1.352 -4.495 1.00 42.44 O ATOM 121 CB HIS A 8 20.019 -3.701 -3.931 1.00 71.22 C ATOM 122 CG HIS A 8 20.870 -2.777 -4.750 1.00 32.31 C ATOM 123 ND1 HIS A 8 20.622 -2.497 -6.075 1.00 64.34 N ATOM 124 CD2 HIS A 8 21.984 -2.079 -4.426 1.00 5.22 C ATOM 125 CE1 HIS A 8 21.542 -1.674 -6.529 1.00 32.43 C ATOM 126 NE2 HIS A 8 22.381 -1.404 -5.552 1.00 45.31 N ATOM 0 H HIS A 8 18.639 -4.890 -2.235 1.00 51.01 H new ATOM 0 HA HIS A 8 19.528 -2.156 -2.516 1.00 73.11 H new ATOM 0 HB2 HIS A 8 20.666 -4.329 -3.319 1.00 71.22 H new ATOM 0 HB3 HIS A 8 19.472 -4.365 -4.601 1.00 71.22 H new ATOM 0 HD2 HIS A 8 22.469 -2.058 -3.461 1.00 5.22 H new ATOM 0 HE1 HIS A 8 21.599 -1.285 -7.535 1.00 32.43 H new ATOM 0 HE2 HIS A 8 23.194 -0.792 -5.621 1.00 45.31 H new ATOM 135 N SER A 9 16.713 -3.073 -3.820 1.00 61.45 N ATOM 136 CA SER A 9 15.493 -2.594 -4.492 1.00 44.42 C ATOM 137 C SER A 9 14.913 -1.367 -3.779 1.00 53.24 C ATOM 138 O SER A 9 15.253 -1.086 -2.628 1.00 43.23 O ATOM 139 CB SER A 9 14.440 -3.710 -4.546 1.00 31.45 C ATOM 140 OG SER A 9 14.938 -4.851 -5.229 1.00 72.11 O ATOM 0 H SER A 9 16.600 -3.965 -3.339 1.00 61.45 H new ATOM 0 HA SER A 9 15.763 -2.305 -5.508 1.00 44.42 H new ATOM 0 HB2 SER A 9 14.148 -3.988 -3.533 1.00 31.45 H new ATOM 0 HB3 SER A 9 13.544 -3.345 -5.048 1.00 31.45 H new ATOM 0 HG SER A 9 14.249 -5.548 -5.248 1.00 72.11 H new ATOM 146 N HIS A 10 14.022 -0.641 -4.454 1.00 73.12 N ATOM 147 CA HIS A 10 13.505 0.626 -3.924 1.00 10.33 C ATOM 148 C HIS A 10 11.965 0.647 -3.894 1.00 52.02 C ATOM 149 O HIS A 10 11.316 0.543 -4.932 1.00 14.22 O ATOM 150 CB HIS A 10 14.032 1.785 -4.778 1.00 63.14 C ATOM 151 CG HIS A 10 15.496 1.679 -5.083 1.00 12.53 C ATOM 152 ND1 HIS A 10 15.977 1.332 -6.328 1.00 33.24 N ATOM 153 CD2 HIS A 10 16.586 1.871 -4.304 1.00 64.33 C ATOM 154 CE1 HIS A 10 17.292 1.314 -6.300 1.00 14.13 C ATOM 155 NE2 HIS A 10 17.689 1.638 -5.088 1.00 34.45 N ATOM 0 H HIS A 10 13.643 -0.904 -5.364 1.00 73.12 H new ATOM 0 HA HIS A 10 13.852 0.733 -2.896 1.00 10.33 H new ATOM 0 HB2 HIS A 10 13.475 1.820 -5.714 1.00 63.14 H new ATOM 0 HB3 HIS A 10 13.843 2.725 -4.259 1.00 63.14 H new ATOM 0 HD1 HIS A 10 15.402 1.122 -7.144 1.00 33.24 H new ATOM 0 HD2 HIS A 10 16.588 2.154 -3.262 1.00 64.33 H new ATOM 0 HE1 HIS A 10 17.937 1.074 -7.132 1.00 14.13 H new ATOM 164 N MET A 11 11.390 0.793 -2.696 1.00 73.25 N ATOM 165 CA MET A 11 9.925 0.839 -2.530 1.00 2.13 C ATOM 166 C MET A 11 9.365 2.267 -2.687 1.00 50.02 C ATOM 167 O MET A 11 8.157 2.485 -2.573 1.00 33.14 O ATOM 168 CB MET A 11 9.527 0.275 -1.156 1.00 2.03 C ATOM 169 CG MET A 11 10.029 -1.141 -0.906 1.00 4.31 C ATOM 170 SD MET A 11 11.830 -1.232 -0.806 1.00 43.21 S ATOM 171 CE MET A 11 12.080 -3.000 -0.630 1.00 62.23 C ATOM 0 H MET A 11 11.912 0.882 -1.824 1.00 73.25 H new ATOM 0 HA MET A 11 9.493 0.225 -3.320 1.00 2.13 H new ATOM 0 HB2 MET A 11 9.916 0.931 -0.377 1.00 2.03 H new ATOM 0 HB3 MET A 11 8.440 0.286 -1.069 1.00 2.03 H new ATOM 0 HG2 MET A 11 9.598 -1.517 0.022 1.00 4.31 H new ATOM 0 HG3 MET A 11 9.680 -1.793 -1.707 1.00 4.31 H new ATOM 0 HE1 MET A 11 13.147 -3.211 -0.556 1.00 62.23 H new ATOM 0 HE2 MET A 11 11.578 -3.351 0.272 1.00 62.23 H new ATOM 0 HE3 MET A 11 11.668 -3.514 -1.498 1.00 62.23 H new ATOM 181 N LEU A 12 10.244 3.235 -2.941 1.00 71.51 N ATOM 182 CA LEU A 12 9.827 4.636 -3.121 1.00 14.04 C ATOM 183 C LEU A 12 9.326 4.901 -4.559 1.00 13.51 C ATOM 184 O LEU A 12 8.281 5.530 -4.746 1.00 41.22 O ATOM 185 CB LEU A 12 10.970 5.610 -2.758 1.00 40.32 C ATOM 186 CG LEU A 12 11.417 5.596 -1.282 1.00 51.33 C ATOM 187 CD1 LEU A 12 12.141 4.297 -0.929 1.00 13.43 C ATOM 188 CD2 LEU A 12 12.303 6.802 -0.978 1.00 53.32 C ATOM 0 H LEU A 12 11.249 3.081 -3.028 1.00 71.51 H new ATOM 0 HA LEU A 12 8.995 4.814 -2.439 1.00 14.04 H new ATOM 0 HB2 LEU A 12 11.833 5.377 -3.382 1.00 40.32 H new ATOM 0 HB3 LEU A 12 10.655 6.622 -3.014 1.00 40.32 H new ATOM 0 HG LEU A 12 10.521 5.656 -0.664 1.00 51.33 H new ATOM 0 HD11 LEU A 12 12.442 4.321 0.118 1.00 13.43 H new ATOM 0 HD12 LEU A 12 11.473 3.452 -1.095 1.00 13.43 H new ATOM 0 HD13 LEU A 12 13.025 4.191 -1.558 1.00 13.43 H new ATOM 0 HD21 LEU A 12 12.608 6.775 0.068 1.00 53.32 H new ATOM 0 HD22 LEU A 12 13.187 6.774 -1.615 1.00 53.32 H new ATOM 0 HD23 LEU A 12 11.747 7.720 -1.170 1.00 53.32 H new ATOM 200 N PRO A 13 10.069 4.467 -5.604 1.00 14.31 N ATOM 201 CA PRO A 13 9.573 4.497 -6.982 1.00 21.21 C ATOM 202 C PRO A 13 8.838 3.196 -7.366 1.00 24.25 C ATOM 203 O PRO A 13 9.288 2.100 -7.031 1.00 13.31 O ATOM 204 CB PRO A 13 10.862 4.645 -7.787 1.00 71.13 C ATOM 205 CG PRO A 13 11.875 3.873 -7.005 1.00 40.30 C ATOM 206 CD PRO A 13 11.455 3.955 -5.551 1.00 70.44 C ATOM 0 HA PRO A 13 8.844 5.289 -7.152 1.00 21.21 H new ATOM 0 HB2 PRO A 13 10.750 4.247 -8.795 1.00 71.13 H new ATOM 0 HB3 PRO A 13 11.150 5.691 -7.888 1.00 71.13 H new ATOM 0 HG2 PRO A 13 11.914 2.836 -7.339 1.00 40.30 H new ATOM 0 HG3 PRO A 13 12.872 4.291 -7.144 1.00 40.30 H new ATOM 0 HD2 PRO A 13 11.501 2.979 -5.067 1.00 70.44 H new ATOM 0 HD3 PRO A 13 12.105 4.622 -4.985 1.00 70.44 H new ATOM 214 N PRO A 14 7.690 3.288 -8.065 1.00 53.21 N ATOM 215 CA PRO A 14 6.945 2.094 -8.516 1.00 41.03 C ATOM 216 C PRO A 14 7.737 1.220 -9.515 1.00 12.02 C ATOM 217 O PRO A 14 7.512 1.277 -10.727 1.00 60.21 O ATOM 218 CB PRO A 14 5.682 2.685 -9.179 1.00 64.25 C ATOM 219 CG PRO A 14 5.586 4.080 -8.652 1.00 32.55 C ATOM 220 CD PRO A 14 7.005 4.537 -8.441 1.00 63.23 C ATOM 0 HA PRO A 14 6.731 1.421 -7.686 1.00 41.03 H new ATOM 0 HB2 PRO A 14 5.767 2.678 -10.266 1.00 64.25 H new ATOM 0 HB3 PRO A 14 4.795 2.105 -8.925 1.00 64.25 H new ATOM 0 HG2 PRO A 14 5.067 4.729 -9.357 1.00 32.55 H new ATOM 0 HG3 PRO A 14 5.023 4.108 -7.719 1.00 32.55 H new ATOM 0 HD2 PRO A 14 7.428 4.976 -9.344 1.00 63.23 H new ATOM 0 HD3 PRO A 14 7.076 5.291 -7.657 1.00 63.23 H new ATOM 228 N GLU A 15 8.683 0.429 -9.001 1.00 5.22 N ATOM 229 CA GLU A 15 9.454 -0.507 -9.832 1.00 30.10 C ATOM 230 C GLU A 15 8.597 -1.733 -10.188 1.00 62.34 C ATOM 231 O GLU A 15 8.453 -2.091 -11.359 1.00 25.31 O ATOM 232 CB GLU A 15 10.744 -0.934 -9.098 1.00 32.31 C ATOM 233 CG GLU A 15 11.573 0.249 -8.590 1.00 21.32 C ATOM 234 CD GLU A 15 12.924 -0.147 -8.003 1.00 53.42 C ATOM 235 OE1 GLU A 15 13.026 -1.223 -7.372 1.00 62.43 O ATOM 236 OE2 GLU A 15 13.896 0.620 -8.176 1.00 4.02 O ATOM 0 H GLU A 15 8.935 0.416 -8.013 1.00 5.22 H new ATOM 0 HA GLU A 15 9.736 -0.007 -10.758 1.00 30.10 H new ATOM 0 HB2 GLU A 15 10.479 -1.572 -8.255 1.00 32.31 H new ATOM 0 HB3 GLU A 15 11.355 -1.534 -9.772 1.00 32.31 H new ATOM 0 HG2 GLU A 15 11.736 0.945 -9.413 1.00 21.32 H new ATOM 0 HG3 GLU A 15 11.000 0.781 -7.831 1.00 21.32 H new ATOM 243 N GLN A 16 8.031 -2.365 -9.160 1.00 32.42 N ATOM 244 CA GLN A 16 7.052 -3.445 -9.338 1.00 25.12 C ATOM 245 C GLN A 16 6.307 -3.736 -8.025 1.00 23.22 C ATOM 246 O GLN A 16 6.921 -4.056 -7.002 1.00 1.14 O ATOM 247 CB GLN A 16 7.716 -4.730 -9.862 1.00 22.45 C ATOM 248 CG GLN A 16 6.749 -5.909 -9.967 1.00 12.23 C ATOM 249 CD GLN A 16 7.322 -7.097 -10.720 1.00 2.22 C ATOM 250 OE1 GLN A 16 8.527 -7.323 -10.739 1.00 11.21 O ATOM 251 NE2 GLN A 16 6.459 -7.871 -11.343 1.00 1.32 N ATOM 0 H GLN A 16 8.234 -2.147 -8.185 1.00 32.42 H new ATOM 0 HA GLN A 16 6.332 -3.106 -10.083 1.00 25.12 H new ATOM 0 HB2 GLN A 16 8.147 -4.534 -10.844 1.00 22.45 H new ATOM 0 HB3 GLN A 16 8.539 -5.001 -9.201 1.00 22.45 H new ATOM 0 HG2 GLN A 16 6.466 -6.227 -8.964 1.00 12.23 H new ATOM 0 HG3 GLN A 16 5.838 -5.578 -10.465 1.00 12.23 H new ATOM 0 HE21 GLN A 16 5.463 -7.656 -11.308 1.00 1.32 H new ATOM 0 HE22 GLN A 16 6.787 -8.686 -11.861 1.00 1.32 H new ATOM 260 N TRP A 17 4.981 -3.620 -8.059 1.00 63.34 N ATOM 261 CA TRP A 17 4.155 -3.855 -6.871 1.00 71.15 C ATOM 262 C TRP A 17 3.679 -5.311 -6.789 1.00 42.21 C ATOM 263 O TRP A 17 2.562 -5.643 -7.188 1.00 55.25 O ATOM 264 CB TRP A 17 2.962 -2.890 -6.850 1.00 11.35 C ATOM 265 CG TRP A 17 3.368 -1.468 -6.595 1.00 62.52 C ATOM 266 CD1 TRP A 17 3.705 -0.528 -7.526 1.00 10.53 C ATOM 267 CD2 TRP A 17 3.495 -0.830 -5.318 1.00 32.22 C ATOM 268 NE1 TRP A 17 4.023 0.657 -6.906 1.00 14.22 N ATOM 269 CE2 TRP A 17 3.902 0.496 -5.553 1.00 23.01 C ATOM 270 CE3 TRP A 17 3.298 -1.249 -3.999 1.00 41.22 C ATOM 271 CZ2 TRP A 17 4.118 1.403 -4.522 1.00 64.20 C ATOM 272 CZ3 TRP A 17 3.516 -0.348 -2.974 1.00 33.44 C ATOM 273 CH2 TRP A 17 3.920 0.965 -3.240 1.00 14.10 C ATOM 0 H TRP A 17 4.454 -3.365 -8.894 1.00 63.34 H new ATOM 0 HA TRP A 17 4.774 -3.666 -5.994 1.00 71.15 H new ATOM 0 HB2 TRP A 17 2.437 -2.948 -7.804 1.00 11.35 H new ATOM 0 HB3 TRP A 17 2.259 -3.206 -6.080 1.00 11.35 H new ATOM 0 HD1 TRP A 17 3.720 -0.691 -8.593 1.00 10.53 H new ATOM 0 HE1 TRP A 17 4.304 1.517 -7.378 1.00 14.22 H new ATOM 0 HE3 TRP A 17 2.981 -2.259 -3.785 1.00 41.22 H new ATOM 0 HZ2 TRP A 17 4.431 2.417 -4.725 1.00 64.20 H new ATOM 0 HZ3 TRP A 17 3.372 -0.662 -1.951 1.00 33.44 H new ATOM 0 HH2 TRP A 17 4.079 1.647 -2.417 1.00 14.10 H new ATOM 284 N SER A 18 4.555 -6.183 -6.300 1.00 61.23 N ATOM 285 CA SER A 18 4.199 -7.585 -6.060 1.00 63.42 C ATOM 286 C SER A 18 3.454 -7.737 -4.729 1.00 35.02 C ATOM 287 O SER A 18 3.419 -6.805 -3.921 1.00 33.34 O ATOM 288 CB SER A 18 5.456 -8.470 -6.053 1.00 71.04 C ATOM 289 OG SER A 18 6.127 -8.431 -7.304 1.00 3.51 O ATOM 0 H SER A 18 5.518 -5.947 -6.061 1.00 61.23 H new ATOM 0 HA SER A 18 3.543 -7.906 -6.869 1.00 63.42 H new ATOM 0 HB2 SER A 18 6.132 -8.137 -5.266 1.00 71.04 H new ATOM 0 HB3 SER A 18 5.177 -9.498 -5.820 1.00 71.04 H new ATOM 0 HG SER A 18 6.922 -9.002 -7.267 1.00 3.51 H new ATOM 295 N HIS A 19 2.874 -8.917 -4.497 1.00 53.15 N ATOM 296 CA HIS A 19 2.129 -9.196 -3.259 1.00 15.34 C ATOM 297 C HIS A 19 2.900 -8.737 -2.005 1.00 34.44 C ATOM 298 O HIS A 19 2.344 -8.062 -1.140 1.00 33.44 O ATOM 299 CB HIS A 19 1.806 -10.695 -3.165 1.00 4.15 C ATOM 300 CG HIS A 19 1.228 -11.110 -1.842 1.00 53.45 C ATOM 301 ND1 HIS A 19 -0.005 -10.929 -1.308 1.00 70.13 N flip ATOM 302 CD2 HIS A 19 1.957 -11.786 -0.887 1.00 14.33 C flip ATOM 303 CE1 HIS A 19 0.013 -11.493 -0.057 1.00 74.21 C flip ATOM 304 NE2 HIS A 19 1.205 -12.001 0.170 1.00 31.52 N flip ATOM 0 H HIS A 19 2.904 -9.700 -5.151 1.00 53.15 H new ATOM 0 HA HIS A 19 1.201 -8.626 -3.298 1.00 15.34 H new ATOM 0 HB2 HIS A 19 1.103 -10.956 -3.956 1.00 4.15 H new ATOM 0 HB3 HIS A 19 2.717 -11.265 -3.348 1.00 4.15 H new ATOM 0 HD2 HIS A 19 2.988 -12.092 -0.991 1.00 14.33 H new ATOM 0 HE1 HIS A 19 -0.819 -11.516 0.631 1.00 74.21 H new ATOM 0 HE2 HIS A 19 1.497 -12.480 1.022 1.00 31.52 H new ATOM 313 N THR A 20 4.179 -9.111 -1.918 1.00 33.04 N ATOM 314 CA THR A 20 5.043 -8.690 -0.802 1.00 4.43 C ATOM 315 C THR A 20 5.146 -7.159 -0.710 1.00 62.53 C ATOM 316 O THR A 20 4.917 -6.574 0.347 1.00 53.35 O ATOM 317 CB THR A 20 6.470 -9.282 -0.935 1.00 62.14 C ATOM 318 OG1 THR A 20 6.395 -10.710 -1.061 1.00 52.05 O ATOM 319 CG2 THR A 20 7.337 -8.925 0.270 1.00 2.34 C ATOM 0 H THR A 20 4.643 -9.705 -2.605 1.00 33.04 H new ATOM 0 HA THR A 20 4.578 -9.071 0.107 1.00 4.43 H new ATOM 0 HB THR A 20 6.928 -8.853 -1.826 1.00 62.14 H new ATOM 0 HG1 THR A 20 7.299 -11.079 -1.146 1.00 52.05 H new ATOM 0 HG21 THR A 20 8.330 -9.356 0.144 1.00 2.34 H new ATOM 0 HG22 THR A 20 7.419 -7.841 0.351 1.00 2.34 H new ATOM 0 HG23 THR A 20 6.881 -9.323 1.177 1.00 2.34 H new ATOM 327 N THR A 21 5.475 -6.518 -1.832 1.00 4.31 N ATOM 328 CA THR A 21 5.646 -5.055 -1.882 1.00 14.11 C ATOM 329 C THR A 21 4.399 -4.313 -1.368 1.00 64.35 C ATOM 330 O THR A 21 4.497 -3.428 -0.515 1.00 62.00 O ATOM 331 CB THR A 21 5.953 -4.577 -3.327 1.00 42.42 C ATOM 332 OG1 THR A 21 7.046 -5.332 -3.881 1.00 74.43 O ATOM 333 CG2 THR A 21 6.302 -3.091 -3.361 1.00 2.32 C ATOM 0 H THR A 21 5.630 -6.986 -2.725 1.00 4.31 H new ATOM 0 HA THR A 21 6.488 -4.820 -1.231 1.00 14.11 H new ATOM 0 HB THR A 21 5.054 -4.737 -3.922 1.00 42.42 H new ATOM 0 HG1 THR A 21 7.167 -5.089 -4.823 1.00 74.43 H new ATOM 0 HG21 THR A 21 6.511 -2.790 -4.387 1.00 2.32 H new ATOM 0 HG22 THR A 21 5.463 -2.511 -2.977 1.00 2.32 H new ATOM 0 HG23 THR A 21 7.182 -2.910 -2.743 1.00 2.32 H new ATOM 341 N VAL A 22 3.232 -4.688 -1.886 1.00 12.40 N ATOM 342 CA VAL A 22 1.965 -4.056 -1.495 1.00 11.12 C ATOM 343 C VAL A 22 1.601 -4.359 -0.030 1.00 15.03 C ATOM 344 O VAL A 22 1.195 -3.468 0.718 1.00 71.33 O ATOM 345 CB VAL A 22 0.805 -4.519 -2.416 1.00 50.14 C ATOM 346 CG1 VAL A 22 -0.502 -3.813 -2.053 1.00 22.23 C ATOM 347 CG2 VAL A 22 1.156 -4.284 -3.884 1.00 1.22 C ATOM 0 H VAL A 22 3.133 -5.429 -2.580 1.00 12.40 H new ATOM 0 HA VAL A 22 2.106 -2.980 -1.602 1.00 11.12 H new ATOM 0 HB VAL A 22 0.662 -5.589 -2.264 1.00 50.14 H new ATOM 0 HG11 VAL A 22 -1.297 -4.157 -2.715 1.00 22.23 H new ATOM 0 HG12 VAL A 22 -0.765 -4.042 -1.020 1.00 22.23 H new ATOM 0 HG13 VAL A 22 -0.377 -2.736 -2.165 1.00 22.23 H new ATOM 0 HG21 VAL A 22 0.330 -4.615 -4.513 1.00 1.22 H new ATOM 0 HG22 VAL A 22 1.335 -3.222 -4.050 1.00 1.22 H new ATOM 0 HG23 VAL A 22 2.054 -4.847 -4.138 1.00 1.22 H new ATOM 357 N ARG A 23 1.763 -5.616 0.376 1.00 11.03 N ATOM 358 CA ARG A 23 1.404 -6.050 1.734 1.00 30.21 C ATOM 359 C ARG A 23 2.238 -5.304 2.794 1.00 32.34 C ATOM 360 O ARG A 23 1.705 -4.848 3.814 1.00 12.42 O ATOM 361 CB ARG A 23 1.592 -7.578 1.854 1.00 5.23 C ATOM 362 CG ARG A 23 0.838 -8.235 3.017 1.00 13.01 C ATOM 363 CD ARG A 23 1.579 -8.126 4.349 1.00 53.20 C ATOM 364 NE ARG A 23 0.793 -8.688 5.449 1.00 23.03 N ATOM 365 CZ ARG A 23 0.993 -9.872 5.975 1.00 13.52 C ATOM 366 NH1 ARG A 23 1.928 -10.648 5.524 1.00 63.22 N ATOM 367 NH2 ARG A 23 0.248 -10.290 6.945 1.00 54.23 N ATOM 0 H ARG A 23 2.141 -6.357 -0.214 1.00 11.03 H new ATOM 0 HA ARG A 23 0.357 -5.807 1.917 1.00 30.21 H new ATOM 0 HB2 ARG A 23 1.269 -8.043 0.923 1.00 5.23 H new ATOM 0 HB3 ARG A 23 2.655 -7.790 1.964 1.00 5.23 H new ATOM 0 HG2 ARG A 23 -0.143 -7.770 3.115 1.00 13.01 H new ATOM 0 HG3 ARG A 23 0.671 -9.287 2.786 1.00 13.01 H new ATOM 0 HD2 ARG A 23 2.533 -8.648 4.279 1.00 53.20 H new ATOM 0 HD3 ARG A 23 1.802 -7.080 4.558 1.00 53.20 H new ATOM 0 HE ARG A 23 0.038 -8.119 5.832 1.00 23.03 H new ATOM 0 HH11 ARG A 23 2.518 -10.340 4.751 1.00 63.22 H new ATOM 0 HH12 ARG A 23 2.074 -11.567 5.942 1.00 63.22 H new ATOM 0 HH21 ARG A 23 -0.500 -9.698 7.305 1.00 54.23 H new ATOM 0 HH22 ARG A 23 0.408 -11.212 7.350 1.00 54.23 H new ATOM 381 N ASN A 24 3.541 -5.176 2.538 1.00 1.44 N ATOM 382 CA ASN A 24 4.452 -4.457 3.441 1.00 32.34 C ATOM 383 C ASN A 24 4.144 -2.949 3.497 1.00 11.23 C ATOM 384 O ASN A 24 4.484 -2.273 4.468 1.00 21.01 O ATOM 385 CB ASN A 24 5.907 -4.684 3.012 1.00 75.45 C ATOM 386 CG ASN A 24 6.354 -6.122 3.213 1.00 53.50 C ATOM 387 OD1 ASN A 24 5.554 -7.052 3.168 1.00 63.02 O ATOM 388 ND2 ASN A 24 7.637 -6.315 3.439 1.00 74.21 N ATOM 0 H ASN A 24 3.994 -5.562 1.710 1.00 1.44 H new ATOM 0 HA ASN A 24 4.301 -4.857 4.444 1.00 32.34 H new ATOM 0 HB2 ASN A 24 6.019 -4.415 1.962 1.00 75.45 H new ATOM 0 HB3 ASN A 24 6.558 -4.021 3.582 1.00 75.45 H new ATOM 0 HD21 ASN A 24 7.993 -7.260 3.583 1.00 74.21 H new ATOM 0 HD22 ASN A 24 8.275 -5.520 3.470 1.00 74.21 H new ATOM 395 N ALA A 25 3.507 -2.425 2.455 1.00 32.01 N ATOM 396 CA ALA A 25 3.085 -1.020 2.436 1.00 3.32 C ATOM 397 C ALA A 25 1.783 -0.821 3.229 1.00 2.52 C ATOM 398 O ALA A 25 1.682 0.068 4.078 1.00 55.52 O ATOM 399 CB ALA A 25 2.908 -0.542 0.997 1.00 63.54 C ATOM 0 H ALA A 25 3.270 -2.947 1.612 1.00 32.01 H new ATOM 0 HA ALA A 25 3.864 -0.426 2.914 1.00 3.32 H new ATOM 0 HB1 ALA A 25 2.595 0.502 0.996 1.00 63.54 H new ATOM 0 HB2 ALA A 25 3.853 -0.638 0.463 1.00 63.54 H new ATOM 0 HB3 ALA A 25 2.149 -1.149 0.503 1.00 63.54 H new ATOM 405 N LEU A 26 0.795 -1.675 2.956 1.00 42.32 N ATOM 406 CA LEU A 26 -0.524 -1.595 3.602 1.00 52.00 C ATOM 407 C LEU A 26 -0.433 -1.657 5.136 1.00 53.03 C ATOM 408 O LEU A 26 -1.142 -0.929 5.833 1.00 55.40 O ATOM 409 CB LEU A 26 -1.433 -2.726 3.096 1.00 45.14 C ATOM 410 CG LEU A 26 -1.772 -2.681 1.598 1.00 3.43 C ATOM 411 CD1 LEU A 26 -2.628 -3.883 1.205 1.00 23.45 C ATOM 412 CD2 LEU A 26 -2.477 -1.373 1.243 1.00 2.14 C ATOM 0 H LEU A 26 0.882 -2.439 2.285 1.00 42.32 H new ATOM 0 HA LEU A 26 -0.949 -0.627 3.335 1.00 52.00 H new ATOM 0 HB2 LEU A 26 -0.952 -3.680 3.314 1.00 45.14 H new ATOM 0 HB3 LEU A 26 -2.364 -2.702 3.662 1.00 45.14 H new ATOM 0 HG LEU A 26 -0.840 -2.727 1.034 1.00 3.43 H new ATOM 0 HD11 LEU A 26 -2.858 -3.834 0.141 1.00 23.45 H new ATOM 0 HD12 LEU A 26 -2.082 -4.803 1.416 1.00 23.45 H new ATOM 0 HD13 LEU A 26 -3.556 -3.872 1.777 1.00 23.45 H new ATOM 0 HD21 LEU A 26 -2.708 -1.362 0.178 1.00 2.14 H new ATOM 0 HD22 LEU A 26 -3.401 -1.291 1.816 1.00 2.14 H new ATOM 0 HD23 LEU A 26 -1.826 -0.532 1.482 1.00 2.14 H new ATOM 424 N LYS A 27 0.450 -2.510 5.661 1.00 74.03 N ATOM 425 CA LYS A 27 0.529 -2.732 7.115 1.00 50.34 C ATOM 426 C LYS A 27 0.940 -1.462 7.891 1.00 40.11 C ATOM 427 O LYS A 27 0.681 -1.358 9.090 1.00 24.35 O ATOM 428 CB LYS A 27 1.456 -3.923 7.445 1.00 4.42 C ATOM 429 CG LYS A 27 2.893 -3.818 6.926 1.00 74.20 C ATOM 430 CD LYS A 27 3.774 -2.930 7.803 1.00 73.34 C ATOM 431 CE LYS A 27 5.246 -3.052 7.425 1.00 72.10 C ATOM 432 NZ LYS A 27 5.764 -4.427 7.653 1.00 13.20 N ATOM 0 H LYS A 27 1.115 -3.055 5.112 1.00 74.03 H new ATOM 0 HA LYS A 27 -0.477 -2.983 7.451 1.00 50.34 H new ATOM 0 HB2 LYS A 27 1.490 -4.043 8.528 1.00 4.42 H new ATOM 0 HB3 LYS A 27 1.009 -4.830 7.038 1.00 4.42 H new ATOM 0 HG2 LYS A 27 3.329 -4.815 6.872 1.00 74.20 H new ATOM 0 HG3 LYS A 27 2.880 -3.421 5.911 1.00 74.20 H new ATOM 0 HD2 LYS A 27 3.457 -1.892 7.705 1.00 73.34 H new ATOM 0 HD3 LYS A 27 3.642 -3.206 8.849 1.00 73.34 H new ATOM 0 HE2 LYS A 27 5.375 -2.785 6.376 1.00 72.10 H new ATOM 0 HE3 LYS A 27 5.831 -2.342 8.009 1.00 72.10 H new ATOM 0 HZ1 LYS A 27 6.801 -4.399 7.733 1.00 13.20 H new ATOM 0 HZ2 LYS A 27 5.359 -4.809 8.531 1.00 13.20 H new ATOM 0 HZ3 LYS A 27 5.495 -5.036 6.854 1.00 13.20 H new ATOM 446 N ASP A 28 1.574 -0.499 7.216 1.00 54.12 N ATOM 447 CA ASP A 28 1.922 0.779 7.856 1.00 40.34 C ATOM 448 C ASP A 28 0.782 1.801 7.753 1.00 42.00 C ATOM 449 O ASP A 28 0.583 2.614 8.658 1.00 74.14 O ATOM 450 CB ASP A 28 3.214 1.359 7.271 1.00 22.01 C ATOM 451 CG ASP A 28 4.442 0.742 7.910 1.00 50.40 C ATOM 452 OD1 ASP A 28 4.582 0.855 9.147 1.00 73.35 O ATOM 453 OD2 ASP A 28 5.256 0.134 7.193 1.00 43.51 O ATOM 0 H ASP A 28 1.855 -0.575 6.238 1.00 54.12 H new ATOM 0 HA ASP A 28 2.085 0.569 8.913 1.00 40.34 H new ATOM 0 HB2 ASP A 28 3.237 1.186 6.195 1.00 22.01 H new ATOM 0 HB3 ASP A 28 3.229 2.439 7.420 1.00 22.01 H new ATOM 458 N LEU A 29 0.037 1.766 6.658 1.00 64.32 N ATOM 459 CA LEU A 29 -1.130 2.641 6.504 1.00 14.30 C ATOM 460 C LEU A 29 -2.243 2.229 7.482 1.00 61.13 C ATOM 461 O LEU A 29 -2.820 3.062 8.182 1.00 55.42 O ATOM 462 CB LEU A 29 -1.645 2.587 5.056 1.00 73.33 C ATOM 463 CG LEU A 29 -0.607 2.938 3.976 1.00 54.10 C ATOM 464 CD1 LEU A 29 -1.218 2.826 2.581 1.00 45.20 C ATOM 465 CD2 LEU A 29 -0.031 4.336 4.206 1.00 10.35 C ATOM 0 H LEU A 29 0.212 1.149 5.865 1.00 64.32 H new ATOM 0 HA LEU A 29 -0.831 3.664 6.732 1.00 14.30 H new ATOM 0 HB2 LEU A 29 -2.024 1.584 4.860 1.00 73.33 H new ATOM 0 HB3 LEU A 29 -2.488 3.271 4.962 1.00 73.33 H new ATOM 0 HG LEU A 29 0.211 2.221 4.048 1.00 54.10 H new ATOM 0 HD11 LEU A 29 -0.466 3.079 1.833 1.00 45.20 H new ATOM 0 HD12 LEU A 29 -1.565 1.806 2.417 1.00 45.20 H new ATOM 0 HD13 LEU A 29 -2.060 3.514 2.496 1.00 45.20 H new ATOM 0 HD21 LEU A 29 0.700 4.561 3.429 1.00 10.35 H new ATOM 0 HD22 LEU A 29 -0.835 5.071 4.171 1.00 10.35 H new ATOM 0 HD23 LEU A 29 0.453 4.374 5.182 1.00 10.35 H new ATOM 477 N LEU A 30 -2.490 0.925 7.553 1.00 22.01 N ATOM 478 CA LEU A 30 -3.568 0.362 8.372 1.00 0.32 C ATOM 479 C LEU A 30 -3.337 0.563 9.884 1.00 74.04 C ATOM 480 O LEU A 30 -4.285 0.804 10.635 1.00 5.04 O ATOM 481 CB LEU A 30 -3.713 -1.136 8.064 1.00 53.02 C ATOM 482 CG LEU A 30 -4.879 -1.846 8.774 1.00 42.24 C ATOM 483 CD1 LEU A 30 -6.212 -1.222 8.373 1.00 14.13 C ATOM 484 CD2 LEU A 30 -4.870 -3.346 8.471 1.00 41.34 C ATOM 0 H LEU A 30 -1.950 0.224 7.045 1.00 22.01 H new ATOM 0 HA LEU A 30 -4.483 0.896 8.116 1.00 0.32 H new ATOM 0 HB2 LEU A 30 -3.837 -1.258 6.988 1.00 53.02 H new ATOM 0 HB3 LEU A 30 -2.784 -1.637 8.337 1.00 53.02 H new ATOM 0 HG LEU A 30 -4.751 -1.718 9.849 1.00 42.24 H new ATOM 0 HD11 LEU A 30 -7.024 -1.738 8.885 1.00 14.13 H new ATOM 0 HD12 LEU A 30 -6.219 -0.168 8.651 1.00 14.13 H new ATOM 0 HD13 LEU A 30 -6.347 -1.314 7.295 1.00 14.13 H new ATOM 0 HD21 LEU A 30 -5.703 -3.826 8.984 1.00 41.34 H new ATOM 0 HD22 LEU A 30 -4.968 -3.501 7.396 1.00 41.34 H new ATOM 0 HD23 LEU A 30 -3.932 -3.781 8.816 1.00 41.34 H new ATOM 496 N LYS A 31 -2.085 0.467 10.339 1.00 64.43 N ATOM 497 CA LYS A 31 -1.797 0.534 11.783 1.00 52.00 C ATOM 498 C LYS A 31 -2.129 1.909 12.395 1.00 60.23 C ATOM 499 O LYS A 31 -2.275 2.024 13.613 1.00 53.24 O ATOM 500 CB LYS A 31 -0.343 0.107 12.087 1.00 71.22 C ATOM 501 CG LYS A 31 0.748 0.848 11.307 1.00 3.23 C ATOM 502 CD LYS A 31 1.086 2.210 11.908 1.00 2.33 C ATOM 503 CE LYS A 31 2.300 2.845 11.235 1.00 22.44 C ATOM 504 NZ LYS A 31 3.533 2.034 11.433 1.00 1.33 N ATOM 0 H LYS A 31 -1.265 0.345 9.745 1.00 64.43 H new ATOM 0 HA LYS A 31 -2.462 -0.182 12.267 1.00 52.00 H new ATOM 0 HB2 LYS A 31 -0.159 0.246 13.152 1.00 71.22 H new ATOM 0 HB3 LYS A 31 -0.248 -0.960 11.883 1.00 71.22 H new ATOM 0 HG2 LYS A 31 1.649 0.235 11.280 1.00 3.23 H new ATOM 0 HG3 LYS A 31 0.423 0.982 10.275 1.00 3.23 H new ATOM 0 HD2 LYS A 31 0.227 2.874 11.808 1.00 2.33 H new ATOM 0 HD3 LYS A 31 1.280 2.098 12.975 1.00 2.33 H new ATOM 0 HE2 LYS A 31 2.106 2.957 10.168 1.00 22.44 H new ATOM 0 HE3 LYS A 31 2.456 3.846 11.637 1.00 22.44 H new ATOM 0 HZ1 LYS A 31 4.305 2.650 11.759 1.00 1.33 H new ATOM 0 HZ2 LYS A 31 3.353 1.297 12.145 1.00 1.33 H new ATOM 0 HZ3 LYS A 31 3.803 1.588 10.533 1.00 1.33 H new ATOM 518 N ASP A 32 -2.269 2.941 11.555 1.00 34.34 N ATOM 519 CA ASP A 32 -2.686 4.276 12.027 1.00 40.30 C ATOM 520 C ASP A 32 -4.000 4.751 11.376 1.00 23.14 C ATOM 521 O ASP A 32 -4.652 5.665 11.884 1.00 14.02 O ATOM 522 CB ASP A 32 -1.574 5.310 11.796 1.00 22.33 C ATOM 523 CG ASP A 32 -0.524 5.277 12.893 1.00 70.44 C ATOM 524 OD1 ASP A 32 -0.906 5.215 14.079 1.00 71.24 O ATOM 525 OD2 ASP A 32 0.684 5.313 12.583 1.00 71.32 O ATOM 0 H ASP A 32 -2.102 2.883 10.550 1.00 34.34 H new ATOM 0 HA ASP A 32 -2.871 4.184 13.097 1.00 40.30 H new ATOM 0 HB2 ASP A 32 -1.098 5.121 10.834 1.00 22.33 H new ATOM 0 HB3 ASP A 32 -2.012 6.307 11.744 1.00 22.33 H new ATOM 530 N MET A 33 -4.385 4.140 10.259 1.00 14.14 N ATOM 531 CA MET A 33 -5.658 4.463 9.603 1.00 64.25 C ATOM 532 C MET A 33 -6.610 3.258 9.644 1.00 62.03 C ATOM 533 O MET A 33 -6.272 2.172 9.173 1.00 2.32 O ATOM 534 CB MET A 33 -5.417 4.901 8.152 1.00 65.31 C ATOM 535 CG MET A 33 -6.685 5.333 7.427 1.00 62.34 C ATOM 536 SD MET A 33 -7.553 6.658 8.291 1.00 54.50 S ATOM 537 CE MET A 33 -6.335 7.972 8.235 1.00 44.22 C ATOM 0 H MET A 33 -3.839 3.420 9.787 1.00 14.14 H new ATOM 0 HA MET A 33 -6.122 5.288 10.144 1.00 64.25 H new ATOM 0 HB2 MET A 33 -4.705 5.726 8.144 1.00 65.31 H new ATOM 0 HB3 MET A 33 -4.958 4.078 7.604 1.00 65.31 H new ATOM 0 HG2 MET A 33 -6.430 5.665 6.421 1.00 62.34 H new ATOM 0 HG3 MET A 33 -7.350 4.476 7.321 1.00 62.34 H new ATOM 0 HE1 MET A 33 -6.807 8.918 8.501 1.00 44.22 H new ATOM 0 HE2 MET A 33 -5.534 7.756 8.941 1.00 44.22 H new ATOM 0 HE3 MET A 33 -5.922 8.043 7.229 1.00 44.22 H new ATOM 547 N ASN A 34 -7.799 3.459 10.211 1.00 72.22 N ATOM 548 CA ASN A 34 -8.785 2.380 10.372 1.00 75.54 C ATOM 549 C ASN A 34 -9.159 1.738 9.021 1.00 3.31 C ATOM 550 O ASN A 34 -9.154 2.405 7.985 1.00 13.13 O ATOM 551 CB ASN A 34 -10.041 2.925 11.061 1.00 74.31 C ATOM 552 CG ASN A 34 -9.709 3.659 12.348 1.00 52.34 C ATOM 553 OD1 ASN A 34 -9.494 4.866 12.349 1.00 4.33 O ATOM 554 ND2 ASN A 34 -9.647 2.941 13.451 1.00 14.40 N ATOM 0 H ASN A 34 -8.108 4.362 10.570 1.00 72.22 H new ATOM 0 HA ASN A 34 -8.334 1.604 10.990 1.00 75.54 H new ATOM 0 HB2 ASN A 34 -10.563 3.600 10.383 1.00 74.31 H new ATOM 0 HB3 ASN A 34 -10.722 2.102 11.278 1.00 74.31 H new ATOM 0 HD21 ASN A 34 -9.415 3.388 14.338 1.00 14.40 H new ATOM 0 HD22 ASN A 34 -9.831 1.938 13.418 1.00 14.40 H new ATOM 561 N GLN A 35 -9.499 0.445 9.053 1.00 30.34 N ATOM 562 CA GLN A 35 -9.783 -0.333 7.834 1.00 75.54 C ATOM 563 C GLN A 35 -10.749 0.394 6.881 1.00 63.23 C ATOM 564 O GLN A 35 -10.433 0.610 5.709 1.00 51.40 O ATOM 565 CB GLN A 35 -10.362 -1.711 8.199 1.00 12.21 C ATOM 566 CG GLN A 35 -9.432 -2.573 9.050 1.00 44.13 C ATOM 567 CD GLN A 35 -10.012 -3.941 9.366 1.00 34.22 C ATOM 568 OE1 GLN A 35 -10.702 -4.127 10.362 1.00 2.24 O ATOM 569 NE2 GLN A 35 -9.733 -4.912 8.520 1.00 24.54 N ATOM 0 H GLN A 35 -9.586 -0.092 9.916 1.00 30.34 H new ATOM 0 HA GLN A 35 -8.834 -0.455 7.313 1.00 75.54 H new ATOM 0 HB2 GLN A 35 -11.300 -1.568 8.736 1.00 12.21 H new ATOM 0 HB3 GLN A 35 -10.599 -2.248 7.281 1.00 12.21 H new ATOM 0 HG2 GLN A 35 -8.484 -2.699 8.528 1.00 44.13 H new ATOM 0 HG3 GLN A 35 -9.216 -2.052 9.983 1.00 44.13 H new ATOM 0 HE21 GLN A 35 -9.156 -4.724 7.700 1.00 24.54 H new ATOM 0 HE22 GLN A 35 -10.094 -5.852 8.685 1.00 24.54 H new ATOM 578 N SER A 36 -11.917 0.774 7.393 1.00 35.10 N ATOM 579 CA SER A 36 -12.932 1.461 6.580 1.00 41.42 C ATOM 580 C SER A 36 -12.452 2.846 6.116 1.00 71.11 C ATOM 581 O SER A 36 -12.627 3.215 4.955 1.00 14.05 O ATOM 582 CB SER A 36 -14.251 1.596 7.358 1.00 23.31 C ATOM 583 OG SER A 36 -14.778 0.322 7.703 1.00 11.31 O ATOM 0 H SER A 36 -12.189 0.621 8.364 1.00 35.10 H new ATOM 0 HA SER A 36 -13.101 0.850 5.693 1.00 41.42 H new ATOM 0 HB2 SER A 36 -14.084 2.180 8.263 1.00 23.31 H new ATOM 0 HB3 SER A 36 -14.977 2.142 6.756 1.00 23.31 H new ATOM 0 HG SER A 36 -14.832 -0.238 6.900 1.00 11.31 H new ATOM 589 N SER A 37 -11.841 3.607 7.023 1.00 23.34 N ATOM 590 CA SER A 37 -11.325 4.948 6.692 1.00 5.20 C ATOM 591 C SER A 37 -10.220 4.884 5.621 1.00 55.03 C ATOM 592 O SER A 37 -10.037 5.824 4.843 1.00 61.25 O ATOM 593 CB SER A 37 -10.789 5.646 7.951 1.00 12.14 C ATOM 594 OG SER A 37 -10.398 6.984 7.672 1.00 44.12 O ATOM 0 H SER A 37 -11.688 3.325 7.991 1.00 23.34 H new ATOM 0 HA SER A 37 -12.157 5.525 6.287 1.00 5.20 H new ATOM 0 HB2 SER A 37 -11.556 5.643 8.726 1.00 12.14 H new ATOM 0 HB3 SER A 37 -9.937 5.090 8.343 1.00 12.14 H new ATOM 0 HG SER A 37 -9.529 7.165 8.088 1.00 44.12 H new ATOM 600 N LEU A 38 -9.483 3.774 5.590 1.00 45.31 N ATOM 601 CA LEU A 38 -8.444 3.555 4.576 1.00 4.34 C ATOM 602 C LEU A 38 -9.089 3.188 3.229 1.00 11.13 C ATOM 603 O LEU A 38 -8.825 3.825 2.206 1.00 51.22 O ATOM 604 CB LEU A 38 -7.480 2.444 5.051 1.00 41.54 C ATOM 605 CG LEU A 38 -6.166 2.262 4.253 1.00 74.54 C ATOM 606 CD1 LEU A 38 -6.402 1.560 2.913 1.00 30.02 C ATOM 607 CD2 LEU A 38 -5.469 3.608 4.051 1.00 2.24 C ATOM 0 H LEU A 38 -9.584 3.008 6.256 1.00 45.31 H new ATOM 0 HA LEU A 38 -7.872 4.473 4.437 1.00 4.34 H new ATOM 0 HB2 LEU A 38 -7.220 2.644 6.090 1.00 41.54 H new ATOM 0 HB3 LEU A 38 -8.020 1.497 5.034 1.00 41.54 H new ATOM 0 HG LEU A 38 -5.512 1.618 4.841 1.00 74.54 H new ATOM 0 HD11 LEU A 38 -5.454 1.453 2.386 1.00 30.02 H new ATOM 0 HD12 LEU A 38 -6.832 0.574 3.090 1.00 30.02 H new ATOM 0 HD13 LEU A 38 -7.088 2.152 2.308 1.00 30.02 H new ATOM 0 HD21 LEU A 38 -4.547 3.460 3.488 1.00 2.24 H new ATOM 0 HD22 LEU A 38 -6.127 4.279 3.499 1.00 2.24 H new ATOM 0 HD23 LEU A 38 -5.235 4.046 5.021 1.00 2.24 H new ATOM 619 N ALA A 39 -9.947 2.165 3.244 1.00 34.52 N ATOM 620 CA ALA A 39 -10.653 1.714 2.033 1.00 60.21 C ATOM 621 C ALA A 39 -11.588 2.800 1.474 1.00 11.22 C ATOM 622 O ALA A 39 -12.056 2.709 0.340 1.00 52.23 O ATOM 623 CB ALA A 39 -11.438 0.440 2.324 1.00 73.24 C ATOM 0 H ALA A 39 -10.173 1.629 4.082 1.00 34.52 H new ATOM 0 HA ALA A 39 -9.900 1.507 1.272 1.00 60.21 H new ATOM 0 HB1 ALA A 39 -11.955 0.117 1.421 1.00 73.24 H new ATOM 0 HB2 ALA A 39 -10.753 -0.343 2.650 1.00 73.24 H new ATOM 0 HB3 ALA A 39 -12.168 0.634 3.110 1.00 73.24 H new ATOM 629 N LYS A 40 -11.865 3.818 2.286 1.00 62.31 N ATOM 630 CA LYS A 40 -12.681 4.960 1.863 1.00 43.44 C ATOM 631 C LYS A 40 -11.968 5.797 0.784 1.00 60.24 C ATOM 632 O LYS A 40 -12.533 6.076 -0.277 1.00 12.13 O ATOM 633 CB LYS A 40 -13.011 5.842 3.076 1.00 14.44 C ATOM 634 CG LYS A 40 -13.898 7.040 2.750 1.00 55.51 C ATOM 635 CD LYS A 40 -14.207 7.875 3.992 1.00 74.41 C ATOM 636 CE LYS A 40 -14.956 7.071 5.049 1.00 65.33 C ATOM 637 NZ LYS A 40 -15.227 7.874 6.271 1.00 2.32 N ATOM 0 H LYS A 40 -11.534 3.877 3.249 1.00 62.31 H new ATOM 0 HA LYS A 40 -13.603 4.572 1.430 1.00 43.44 H new ATOM 0 HB2 LYS A 40 -13.506 5.232 3.832 1.00 14.44 H new ATOM 0 HB3 LYS A 40 -12.080 6.201 3.515 1.00 14.44 H new ATOM 0 HG2 LYS A 40 -13.405 7.665 2.006 1.00 55.51 H new ATOM 0 HG3 LYS A 40 -14.830 6.691 2.306 1.00 55.51 H new ATOM 0 HD2 LYS A 40 -13.276 8.253 4.416 1.00 74.41 H new ATOM 0 HD3 LYS A 40 -14.802 8.742 3.707 1.00 74.41 H new ATOM 0 HE2 LYS A 40 -15.898 6.714 4.633 1.00 65.33 H new ATOM 0 HE3 LYS A 40 -14.372 6.190 5.316 1.00 65.33 H new ATOM 0 HZ1 LYS A 40 -15.737 7.290 6.964 1.00 2.32 H new ATOM 0 HZ2 LYS A 40 -14.327 8.193 6.683 1.00 2.32 H new ATOM 0 HZ3 LYS A 40 -15.806 8.701 6.022 1.00 2.32 H new ATOM 651 N GLU A 41 -10.727 6.206 1.059 1.00 44.41 N ATOM 652 CA GLU A 41 -9.964 7.020 0.102 1.00 55.42 C ATOM 653 C GLU A 41 -9.161 6.144 -0.872 1.00 52.45 C ATOM 654 O GLU A 41 -8.685 6.621 -1.906 1.00 41.24 O ATOM 655 CB GLU A 41 -9.031 7.995 0.832 1.00 52.23 C ATOM 656 CG GLU A 41 -7.862 7.335 1.559 1.00 53.24 C ATOM 657 CD GLU A 41 -6.946 8.355 2.217 1.00 14.05 C ATOM 658 OE1 GLU A 41 -6.589 9.354 1.553 1.00 74.13 O ATOM 659 OE2 GLU A 41 -6.581 8.170 3.396 1.00 12.24 O ATOM 0 H GLU A 41 -10.232 5.992 1.924 1.00 44.41 H new ATOM 0 HA GLU A 41 -10.685 7.596 -0.479 1.00 55.42 H new ATOM 0 HB2 GLU A 41 -8.636 8.708 0.109 1.00 52.23 H new ATOM 0 HB3 GLU A 41 -9.616 8.564 1.554 1.00 52.23 H new ATOM 0 HG2 GLU A 41 -8.246 6.652 2.317 1.00 53.24 H new ATOM 0 HG3 GLU A 41 -7.288 6.736 0.852 1.00 53.24 H new ATOM 666 N CYS A 42 -9.011 4.866 -0.535 1.00 74.50 N ATOM 667 CA CYS A 42 -8.336 3.897 -1.409 1.00 41.02 C ATOM 668 C CYS A 42 -9.338 3.232 -2.370 1.00 22.51 C ATOM 669 O CYS A 42 -10.447 2.890 -1.974 1.00 23.40 O ATOM 670 CB CYS A 42 -7.628 2.823 -0.570 1.00 41.43 C ATOM 671 SG CYS A 42 -6.704 1.606 -1.543 1.00 34.10 S ATOM 0 H CYS A 42 -9.349 4.470 0.342 1.00 74.50 H new ATOM 0 HA CYS A 42 -7.595 4.436 -1.999 1.00 41.02 H new ATOM 0 HB2 CYS A 42 -6.943 3.313 0.123 1.00 41.43 H new ATOM 0 HB3 CYS A 42 -8.371 2.301 0.032 1.00 41.43 H new ATOM 0 HG CYS A 42 -6.143 0.747 -0.744 1.00 34.10 H new ATOM 677 N PRO A 43 -8.967 3.038 -3.651 1.00 30.30 N ATOM 678 CA PRO A 43 -9.872 2.455 -4.660 1.00 64.20 C ATOM 679 C PRO A 43 -9.967 0.917 -4.590 1.00 72.11 C ATOM 680 O PRO A 43 -10.487 0.279 -5.507 1.00 35.10 O ATOM 681 CB PRO A 43 -9.222 2.895 -5.973 1.00 35.34 C ATOM 682 CG PRO A 43 -7.762 2.926 -5.665 1.00 23.01 C ATOM 683 CD PRO A 43 -7.648 3.372 -4.226 1.00 1.23 C ATOM 0 HA PRO A 43 -10.901 2.786 -4.524 1.00 64.20 H new ATOM 0 HB2 PRO A 43 -9.444 2.198 -6.781 1.00 35.34 H new ATOM 0 HB3 PRO A 43 -9.584 3.874 -6.288 1.00 35.34 H new ATOM 0 HG2 PRO A 43 -7.313 1.943 -5.805 1.00 23.01 H new ATOM 0 HG3 PRO A 43 -7.238 3.613 -6.329 1.00 23.01 H new ATOM 0 HD2 PRO A 43 -6.842 2.852 -3.708 1.00 1.23 H new ATOM 0 HD3 PRO A 43 -7.438 4.439 -4.153 1.00 1.23 H new ATOM 691 N LEU A 44 -9.460 0.328 -3.509 1.00 4.13 N ATOM 692 CA LEU A 44 -9.485 -1.128 -3.334 1.00 54.11 C ATOM 693 C LEU A 44 -10.704 -1.578 -2.512 1.00 21.12 C ATOM 694 O LEU A 44 -11.376 -0.768 -1.871 1.00 62.41 O ATOM 695 CB LEU A 44 -8.186 -1.605 -2.664 1.00 62.21 C ATOM 696 CG LEU A 44 -6.892 -1.263 -3.421 1.00 14.42 C ATOM 697 CD1 LEU A 44 -5.672 -1.786 -2.666 1.00 2.21 C ATOM 698 CD2 LEU A 44 -6.930 -1.821 -4.841 1.00 64.40 C ATOM 0 H LEU A 44 -9.025 0.835 -2.738 1.00 4.13 H new ATOM 0 HA LEU A 44 -9.565 -1.581 -4.322 1.00 54.11 H new ATOM 0 HB2 LEU A 44 -8.130 -1.169 -1.667 1.00 62.21 H new ATOM 0 HB3 LEU A 44 -8.238 -2.686 -2.537 1.00 62.21 H new ATOM 0 HG LEU A 44 -6.813 -0.178 -3.487 1.00 14.42 H new ATOM 0 HD11 LEU A 44 -4.767 -1.534 -3.218 1.00 2.21 H new ATOM 0 HD12 LEU A 44 -5.633 -1.329 -1.677 1.00 2.21 H new ATOM 0 HD13 LEU A 44 -5.744 -2.869 -2.563 1.00 2.21 H new ATOM 0 HD21 LEU A 44 -6.004 -1.566 -5.357 1.00 64.40 H new ATOM 0 HD22 LEU A 44 -7.038 -2.905 -4.803 1.00 64.40 H new ATOM 0 HD23 LEU A 44 -7.775 -1.391 -5.379 1.00 64.40 H new ATOM 710 N SER A 45 -10.985 -2.878 -2.536 1.00 14.44 N ATOM 711 CA SER A 45 -12.132 -3.444 -1.811 1.00 52.13 C ATOM 712 C SER A 45 -11.778 -3.718 -0.341 1.00 13.30 C ATOM 713 O SER A 45 -10.791 -4.398 -0.047 1.00 61.24 O ATOM 714 CB SER A 45 -12.600 -4.735 -2.493 1.00 40.23 C ATOM 715 OG SER A 45 -12.908 -4.508 -3.863 1.00 22.24 O ATOM 0 H SER A 45 -10.435 -3.566 -3.050 1.00 14.44 H new ATOM 0 HA SER A 45 -12.942 -2.715 -1.832 1.00 52.13 H new ATOM 0 HB2 SER A 45 -11.822 -5.495 -2.413 1.00 40.23 H new ATOM 0 HB3 SER A 45 -13.479 -5.123 -1.979 1.00 40.23 H new ATOM 0 HG SER A 45 -13.202 -5.347 -4.275 1.00 22.24 H new ATOM 721 N GLN A 46 -12.609 -3.206 0.568 1.00 21.52 N ATOM 722 CA GLN A 46 -12.336 -3.246 2.014 1.00 62.24 C ATOM 723 C GLN A 46 -12.003 -4.659 2.526 1.00 4.11 C ATOM 724 O GLN A 46 -10.924 -4.892 3.080 1.00 75.20 O ATOM 725 CB GLN A 46 -13.545 -2.692 2.781 1.00 71.22 C ATOM 726 CG GLN A 46 -13.332 -2.600 4.291 1.00 71.13 C ATOM 727 CD GLN A 46 -14.571 -2.119 5.025 1.00 64.30 C ATOM 728 OE1 GLN A 46 -14.767 -0.927 5.224 1.00 1.11 O ATOM 729 NE2 GLN A 46 -15.417 -3.040 5.435 1.00 10.35 N ATOM 0 H GLN A 46 -13.490 -2.752 0.328 1.00 21.52 H new ATOM 0 HA GLN A 46 -11.455 -2.629 2.189 1.00 62.24 H new ATOM 0 HB2 GLN A 46 -13.783 -1.700 2.397 1.00 71.22 H new ATOM 0 HB3 GLN A 46 -14.409 -3.326 2.584 1.00 71.22 H new ATOM 0 HG2 GLN A 46 -13.044 -3.579 4.674 1.00 71.13 H new ATOM 0 HG3 GLN A 46 -12.505 -1.921 4.497 1.00 71.13 H new ATOM 0 HE21 GLN A 46 -15.225 -4.025 5.254 1.00 10.35 H new ATOM 0 HE22 GLN A 46 -16.264 -2.768 5.934 1.00 10.35 H new ATOM 738 N SER A 47 -12.929 -5.597 2.344 1.00 2.30 N ATOM 739 CA SER A 47 -12.756 -6.962 2.860 1.00 20.21 C ATOM 740 C SER A 47 -11.564 -7.671 2.199 1.00 65.44 C ATOM 741 O SER A 47 -10.887 -8.475 2.835 1.00 41.01 O ATOM 742 CB SER A 47 -14.039 -7.779 2.674 1.00 62.35 C ATOM 743 OG SER A 47 -15.133 -7.168 3.346 1.00 44.01 O ATOM 0 H SER A 47 -13.806 -5.443 1.846 1.00 2.30 H new ATOM 0 HA SER A 47 -12.544 -6.884 3.926 1.00 20.21 H new ATOM 0 HB2 SER A 47 -14.265 -7.871 1.612 1.00 62.35 H new ATOM 0 HB3 SER A 47 -13.890 -8.789 3.057 1.00 62.35 H new ATOM 0 HG SER A 47 -15.941 -7.706 3.212 1.00 44.01 H new ATOM 749 N MET A 48 -11.300 -7.366 0.926 1.00 61.00 N ATOM 750 CA MET A 48 -10.114 -7.901 0.238 1.00 11.05 C ATOM 751 C MET A 48 -8.824 -7.443 0.934 1.00 51.12 C ATOM 752 O MET A 48 -7.943 -8.257 1.220 1.00 4.43 O ATOM 753 CB MET A 48 -10.092 -7.482 -1.238 1.00 2.50 C ATOM 754 CG MET A 48 -11.233 -8.063 -2.061 1.00 54.13 C ATOM 755 SD MET A 48 -11.122 -7.630 -3.813 1.00 13.25 S ATOM 756 CE MET A 48 -9.623 -8.492 -4.289 1.00 61.03 C ATOM 0 H MET A 48 -11.883 -6.757 0.352 1.00 61.00 H new ATOM 0 HA MET A 48 -10.170 -8.988 0.286 1.00 11.05 H new ATOM 0 HB2 MET A 48 -10.131 -6.394 -1.297 1.00 2.50 H new ATOM 0 HB3 MET A 48 -9.145 -7.791 -1.679 1.00 2.50 H new ATOM 0 HG2 MET A 48 -11.233 -9.148 -1.959 1.00 54.13 H new ATOM 0 HG3 MET A 48 -12.182 -7.705 -1.662 1.00 54.13 H new ATOM 0 HE1 MET A 48 -9.607 -8.624 -5.371 1.00 61.03 H new ATOM 0 HE2 MET A 48 -8.755 -7.909 -3.982 1.00 61.03 H new ATOM 0 HE3 MET A 48 -9.595 -9.468 -3.804 1.00 61.03 H new ATOM 766 N ILE A 49 -8.723 -6.141 1.215 1.00 5.51 N ATOM 767 CA ILE A 49 -7.575 -5.599 1.957 1.00 71.41 C ATOM 768 C ILE A 49 -7.431 -6.306 3.313 1.00 73.54 C ATOM 769 O ILE A 49 -6.349 -6.768 3.682 1.00 23.42 O ATOM 770 CB ILE A 49 -7.720 -4.074 2.197 1.00 35.54 C ATOM 771 CG1 ILE A 49 -7.858 -3.324 0.860 1.00 20.11 C ATOM 772 CG2 ILE A 49 -6.534 -3.535 3.002 1.00 3.21 C ATOM 773 CD1 ILE A 49 -8.107 -1.835 1.017 1.00 44.34 C ATOM 0 H ILE A 49 -9.416 -5.444 0.943 1.00 5.51 H new ATOM 0 HA ILE A 49 -6.687 -5.775 1.350 1.00 71.41 H new ATOM 0 HB ILE A 49 -8.627 -3.906 2.777 1.00 35.54 H new ATOM 0 HG12 ILE A 49 -6.950 -3.472 0.276 1.00 20.11 H new ATOM 0 HG13 ILE A 49 -8.678 -3.762 0.291 1.00 20.11 H new ATOM 0 HG21 ILE A 49 -6.657 -2.463 3.158 1.00 3.21 H new ATOM 0 HG22 ILE A 49 -6.490 -4.040 3.967 1.00 3.21 H new ATOM 0 HG23 ILE A 49 -5.609 -3.718 2.454 1.00 3.21 H new ATOM 0 HD11 ILE A 49 -8.193 -1.375 0.033 1.00 44.34 H new ATOM 0 HD12 ILE A 49 -9.031 -1.677 1.573 1.00 44.34 H new ATOM 0 HD13 ILE A 49 -7.276 -1.382 1.558 1.00 44.34 H new ATOM 785 N SER A 50 -8.545 -6.398 4.033 1.00 33.15 N ATOM 786 CA SER A 50 -8.593 -7.090 5.331 1.00 1.31 C ATOM 787 C SER A 50 -8.129 -8.552 5.210 1.00 50.44 C ATOM 788 O SER A 50 -7.422 -9.068 6.078 1.00 64.21 O ATOM 789 CB SER A 50 -10.021 -7.045 5.894 1.00 44.34 C ATOM 790 OG SER A 50 -10.101 -7.673 7.163 1.00 22.34 O ATOM 0 H SER A 50 -9.438 -6.000 3.742 1.00 33.15 H new ATOM 0 HA SER A 50 -7.913 -6.575 6.009 1.00 1.31 H new ATOM 0 HB2 SER A 50 -10.347 -6.008 5.979 1.00 44.34 H new ATOM 0 HB3 SER A 50 -10.702 -7.537 5.200 1.00 44.34 H new ATOM 0 HG SER A 50 -11.022 -7.626 7.494 1.00 22.34 H new ATOM 796 N SER A 51 -8.522 -9.209 4.119 1.00 54.34 N ATOM 797 CA SER A 51 -8.145 -10.610 3.871 1.00 23.00 C ATOM 798 C SER A 51 -6.649 -10.752 3.564 1.00 1.14 C ATOM 799 O SER A 51 -6.020 -11.725 3.967 1.00 72.13 O ATOM 800 CB SER A 51 -8.961 -11.194 2.709 1.00 42.14 C ATOM 801 OG SER A 51 -10.345 -11.251 3.023 1.00 1.43 O ATOM 0 H SER A 51 -9.103 -8.797 3.389 1.00 54.34 H new ATOM 0 HA SER A 51 -8.362 -11.164 4.784 1.00 23.00 H new ATOM 0 HB2 SER A 51 -8.814 -10.585 1.817 1.00 42.14 H new ATOM 0 HB3 SER A 51 -8.598 -12.195 2.475 1.00 42.14 H new ATOM 0 HG SER A 51 -10.721 -10.346 3.008 1.00 1.43 H new ATOM 807 N ILE A 52 -6.084 -9.786 2.840 1.00 44.23 N ATOM 808 CA ILE A 52 -4.655 -9.812 2.495 1.00 1.10 C ATOM 809 C ILE A 52 -3.769 -9.682 3.744 1.00 1.20 C ATOM 810 O ILE A 52 -2.813 -10.444 3.925 1.00 72.35 O ATOM 811 CB ILE A 52 -4.296 -8.684 1.492 1.00 14.25 C ATOM 812 CG1 ILE A 52 -5.092 -8.857 0.186 1.00 23.32 C ATOM 813 CG2 ILE A 52 -2.790 -8.669 1.205 1.00 41.40 C ATOM 814 CD1 ILE A 52 -4.908 -7.721 -0.796 1.00 71.25 C ATOM 0 H ILE A 52 -6.589 -8.976 2.480 1.00 44.23 H new ATOM 0 HA ILE A 52 -4.464 -10.778 2.028 1.00 1.10 H new ATOM 0 HB ILE A 52 -4.565 -7.728 1.941 1.00 14.25 H new ATOM 0 HG12 ILE A 52 -4.791 -9.790 -0.291 1.00 23.32 H new ATOM 0 HG13 ILE A 52 -6.151 -8.949 0.426 1.00 23.32 H new ATOM 0 HG21 ILE A 52 -2.562 -7.870 0.499 1.00 41.40 H new ATOM 0 HG22 ILE A 52 -2.244 -8.500 2.133 1.00 41.40 H new ATOM 0 HG23 ILE A 52 -2.491 -9.626 0.778 1.00 41.40 H new ATOM 0 HD11 ILE A 52 -5.500 -7.914 -1.691 1.00 71.25 H new ATOM 0 HD12 ILE A 52 -5.236 -6.788 -0.338 1.00 71.25 H new ATOM 0 HD13 ILE A 52 -3.855 -7.641 -1.067 1.00 71.25 H new ATOM 826 N VAL A 53 -4.095 -8.722 4.608 1.00 32.22 N ATOM 827 CA VAL A 53 -3.324 -8.488 5.835 1.00 70.14 C ATOM 828 C VAL A 53 -3.334 -9.723 6.754 1.00 21.21 C ATOM 829 O VAL A 53 -2.319 -10.068 7.360 1.00 5.01 O ATOM 830 CB VAL A 53 -3.867 -7.264 6.619 1.00 73.33 C ATOM 831 CG1 VAL A 53 -3.015 -6.985 7.857 1.00 4.02 C ATOM 832 CG2 VAL A 53 -3.939 -6.029 5.717 1.00 13.32 C ATOM 0 H VAL A 53 -4.887 -8.092 4.484 1.00 32.22 H new ATOM 0 HA VAL A 53 -2.298 -8.287 5.525 1.00 70.14 H new ATOM 0 HB VAL A 53 -4.877 -7.499 6.953 1.00 73.33 H new ATOM 0 HG11 VAL A 53 -3.417 -6.122 8.388 1.00 4.02 H new ATOM 0 HG12 VAL A 53 -3.031 -7.855 8.513 1.00 4.02 H new ATOM 0 HG13 VAL A 53 -1.989 -6.778 7.553 1.00 4.02 H new ATOM 0 HG21 VAL A 53 -4.322 -5.183 6.288 1.00 13.32 H new ATOM 0 HG22 VAL A 53 -2.943 -5.793 5.343 1.00 13.32 H new ATOM 0 HG23 VAL A 53 -4.603 -6.230 4.877 1.00 13.32 H new ATOM 842 N ASN A 54 -4.485 -10.390 6.840 1.00 64.14 N ATOM 843 CA ASN A 54 -4.638 -11.584 7.683 1.00 22.30 C ATOM 844 C ASN A 54 -4.700 -12.869 6.839 1.00 2.03 C ATOM 845 O ASN A 54 -5.268 -13.876 7.262 1.00 63.45 O ATOM 846 CB ASN A 54 -5.904 -11.458 8.538 1.00 75.15 C ATOM 847 CG ASN A 54 -5.874 -10.229 9.429 1.00 74.35 C ATOM 848 OD1 ASN A 54 -6.364 -9.166 9.063 1.00 5.25 O ATOM 849 ND2 ASN A 54 -5.290 -10.361 10.602 1.00 61.50 N ATOM 0 H ASN A 54 -5.331 -10.125 6.335 1.00 64.14 H new ATOM 0 HA ASN A 54 -3.764 -11.652 8.330 1.00 22.30 H new ATOM 0 HB2 ASN A 54 -6.777 -11.412 7.887 1.00 75.15 H new ATOM 0 HB3 ASN A 54 -6.014 -12.350 9.155 1.00 75.15 H new ATOM 0 HD21 ASN A 54 -5.235 -9.565 11.237 1.00 61.50 H new ATOM 0 HD22 ASN A 54 -4.892 -11.260 10.876 1.00 61.50 H new ATOM 856 N SER A 55 -4.094 -12.831 5.653 1.00 23.44 N ATOM 857 CA SER A 55 -4.108 -13.981 4.731 1.00 24.55 C ATOM 858 C SER A 55 -3.413 -15.217 5.323 1.00 44.55 C ATOM 859 O SER A 55 -2.195 -15.381 5.205 1.00 61.32 O ATOM 860 CB SER A 55 -3.453 -13.615 3.391 1.00 72.33 C ATOM 861 OG SER A 55 -3.342 -14.749 2.540 1.00 0.04 O ATOM 0 H SER A 55 -3.586 -12.019 5.302 1.00 23.44 H new ATOM 0 HA SER A 55 -5.156 -14.234 4.568 1.00 24.55 H new ATOM 0 HB2 SER A 55 -4.042 -12.843 2.896 1.00 72.33 H new ATOM 0 HB3 SER A 55 -2.463 -13.195 3.571 1.00 72.33 H new ATOM 0 HG SER A 55 -2.784 -14.524 1.766 1.00 0.04 H new ATOM 867 N THR A 56 -4.199 -16.070 5.977 1.00 61.02 N ATOM 868 CA THR A 56 -3.705 -17.346 6.513 1.00 71.32 C ATOM 869 C THR A 56 -3.818 -18.459 5.463 1.00 5.22 C ATOM 870 O THR A 56 -2.814 -19.015 5.015 1.00 34.22 O ATOM 871 CB THR A 56 -4.491 -17.774 7.781 1.00 14.24 C ATOM 872 OG1 THR A 56 -5.894 -17.896 7.479 1.00 63.14 O ATOM 873 CG2 THR A 56 -4.298 -16.768 8.912 1.00 32.34 C ATOM 0 H THR A 56 -5.190 -15.902 6.152 1.00 61.02 H new ATOM 0 HA THR A 56 -2.659 -17.194 6.778 1.00 71.32 H new ATOM 0 HB THR A 56 -4.103 -18.740 8.105 1.00 14.24 H new ATOM 0 HG1 THR A 56 -6.380 -18.168 8.285 1.00 63.14 H new ATOM 0 HG21 THR A 56 -4.860 -17.093 9.788 1.00 32.34 H new ATOM 0 HG22 THR A 56 -3.240 -16.702 9.164 1.00 32.34 H new ATOM 0 HG23 THR A 56 -4.657 -15.789 8.593 1.00 32.34 H new ATOM 881 N TYR A 57 -5.050 -18.781 5.077 1.00 33.42 N ATOM 882 CA TYR A 57 -5.308 -19.782 4.035 1.00 42.42 C ATOM 883 C TYR A 57 -5.734 -19.112 2.718 1.00 42.02 C ATOM 884 O TYR A 57 -5.848 -19.769 1.682 1.00 62.11 O ATOM 885 CB TYR A 57 -6.390 -20.771 4.498 1.00 42.32 C ATOM 886 CG TYR A 57 -7.775 -20.160 4.635 1.00 41.15 C ATOM 887 CD1 TYR A 57 -8.164 -19.506 5.801 1.00 4.33 C ATOM 888 CD2 TYR A 57 -8.694 -20.237 3.592 1.00 23.12 C ATOM 889 CE1 TYR A 57 -9.423 -18.948 5.920 1.00 4.03 C ATOM 890 CE2 TYR A 57 -9.951 -19.681 3.704 1.00 41.14 C ATOM 891 CZ TYR A 57 -10.312 -19.039 4.868 1.00 4.23 C ATOM 892 OH TYR A 57 -11.567 -18.481 4.979 1.00 50.52 O ATOM 0 H TYR A 57 -5.893 -18.362 5.471 1.00 33.42 H new ATOM 0 HA TYR A 57 -4.381 -20.328 3.857 1.00 42.42 H new ATOM 0 HB2 TYR A 57 -6.438 -21.597 3.789 1.00 42.32 H new ATOM 0 HB3 TYR A 57 -6.094 -21.192 5.459 1.00 42.32 H new ATOM 0 HD1 TYR A 57 -7.471 -19.434 6.626 1.00 4.33 H new ATOM 0 HD2 TYR A 57 -8.417 -20.742 2.678 1.00 23.12 H new ATOM 0 HE1 TYR A 57 -9.710 -18.444 6.831 1.00 4.03 H new ATOM 0 HE2 TYR A 57 -10.649 -19.749 2.883 1.00 41.14 H new ATOM 0 HH TYR A 57 -12.067 -18.633 4.150 1.00 50.52 H new ATOM 902 N TYR A 58 -5.977 -17.800 2.776 1.00 40.10 N ATOM 903 CA TYR A 58 -6.396 -17.020 1.602 1.00 40.15 C ATOM 904 C TYR A 58 -5.405 -17.181 0.435 1.00 62.44 C ATOM 905 O TYR A 58 -5.697 -17.880 -0.537 1.00 73.04 O ATOM 906 CB TYR A 58 -6.538 -15.541 1.996 1.00 75.13 C ATOM 907 CG TYR A 58 -7.007 -14.628 0.875 1.00 51.03 C ATOM 908 CD1 TYR A 58 -8.330 -14.645 0.449 1.00 51.32 C ATOM 909 CD2 TYR A 58 -6.130 -13.741 0.255 1.00 44.14 C ATOM 910 CE1 TYR A 58 -8.765 -13.808 -0.561 1.00 24.32 C ATOM 911 CE2 TYR A 58 -6.559 -12.902 -0.756 1.00 5.13 C ATOM 912 CZ TYR A 58 -7.876 -12.939 -1.159 1.00 31.12 C ATOM 913 OH TYR A 58 -8.310 -12.101 -2.163 1.00 1.24 O ATOM 0 H TYR A 58 -5.891 -17.249 3.630 1.00 40.10 H new ATOM 0 HA TYR A 58 -7.360 -17.397 1.260 1.00 40.15 H new ATOM 0 HB2 TYR A 58 -7.241 -15.466 2.826 1.00 75.13 H new ATOM 0 HB3 TYR A 58 -5.575 -15.182 2.360 1.00 75.13 H new ATOM 0 HD1 TYR A 58 -9.029 -15.323 0.915 1.00 51.32 H new ATOM 0 HD2 TYR A 58 -5.097 -13.708 0.570 1.00 44.14 H new ATOM 0 HE1 TYR A 58 -9.796 -13.834 -0.881 1.00 24.32 H new ATOM 0 HE2 TYR A 58 -5.866 -12.221 -1.227 1.00 5.13 H new ATOM 0 HH TYR A 58 -7.562 -11.552 -2.477 1.00 1.24 H new ATOM 923 N ALA A 59 -4.242 -16.529 0.547 1.00 43.10 N ATOM 924 CA ALA A 59 -3.148 -16.655 -0.435 1.00 75.44 C ATOM 925 C ALA A 59 -3.527 -16.131 -1.834 1.00 41.32 C ATOM 926 O ALA A 59 -2.977 -15.132 -2.300 1.00 21.23 O ATOM 927 CB ALA A 59 -2.665 -18.103 -0.521 1.00 0.30 C ATOM 0 H ALA A 59 -4.028 -15.898 1.319 1.00 43.10 H new ATOM 0 HA ALA A 59 -2.336 -16.024 -0.074 1.00 75.44 H new ATOM 0 HB1 ALA A 59 -1.858 -18.175 -1.250 1.00 0.30 H new ATOM 0 HB2 ALA A 59 -2.301 -18.424 0.455 1.00 0.30 H new ATOM 0 HB3 ALA A 59 -3.491 -18.744 -0.829 1.00 0.30 H new ATOM 933 N ASN A 60 -4.447 -16.826 -2.501 1.00 53.02 N ATOM 934 CA ASN A 60 -4.899 -16.469 -3.853 1.00 63.21 C ATOM 935 C ASN A 60 -5.398 -15.015 -3.951 1.00 34.14 C ATOM 936 O ASN A 60 -6.577 -14.730 -3.717 1.00 14.33 O ATOM 937 CB ASN A 60 -6.012 -17.428 -4.295 1.00 43.32 C ATOM 938 CG ASN A 60 -5.562 -18.875 -4.282 1.00 72.32 C ATOM 939 OD1 ASN A 60 -5.045 -19.383 -5.272 1.00 34.40 O ATOM 940 ND2 ASN A 60 -5.753 -19.551 -3.166 1.00 13.22 N ATOM 0 H ASN A 60 -4.904 -17.655 -2.122 1.00 53.02 H new ATOM 0 HA ASN A 60 -4.037 -16.557 -4.514 1.00 63.21 H new ATOM 0 HB2 ASN A 60 -6.872 -17.311 -3.636 1.00 43.32 H new ATOM 0 HB3 ASN A 60 -6.341 -17.161 -5.299 1.00 43.32 H new ATOM 0 HD21 ASN A 60 -5.468 -20.528 -3.107 1.00 13.22 H new ATOM 0 HD22 ASN A 60 -6.186 -19.096 -2.362 1.00 13.22 H new ATOM 947 N VAL A 61 -4.492 -14.104 -4.304 1.00 43.31 N ATOM 948 CA VAL A 61 -4.826 -12.686 -4.466 1.00 70.24 C ATOM 949 C VAL A 61 -4.584 -12.215 -5.914 1.00 43.11 C ATOM 950 O VAL A 61 -3.634 -12.649 -6.574 1.00 45.51 O ATOM 951 CB VAL A 61 -4.012 -11.798 -3.488 1.00 0.02 C ATOM 952 CG1 VAL A 61 -2.511 -11.925 -3.746 1.00 4.24 C ATOM 953 CG2 VAL A 61 -4.465 -10.339 -3.570 1.00 21.34 C ATOM 0 H VAL A 61 -3.513 -14.324 -4.485 1.00 43.31 H new ATOM 0 HA VAL A 61 -5.886 -12.582 -4.235 1.00 70.24 H new ATOM 0 HB VAL A 61 -4.204 -12.152 -2.475 1.00 0.02 H new ATOM 0 HG11 VAL A 61 -1.967 -11.292 -3.046 1.00 4.24 H new ATOM 0 HG12 VAL A 61 -2.205 -12.962 -3.610 1.00 4.24 H new ATOM 0 HG13 VAL A 61 -2.289 -11.612 -4.766 1.00 4.24 H new ATOM 0 HG21 VAL A 61 -3.880 -9.737 -2.875 1.00 21.34 H new ATOM 0 HG22 VAL A 61 -4.318 -9.969 -4.585 1.00 21.34 H new ATOM 0 HG23 VAL A 61 -5.521 -10.271 -3.309 1.00 21.34 H new ATOM 963 N SER A 62 -5.458 -11.335 -6.397 1.00 45.14 N ATOM 964 CA SER A 62 -5.356 -10.782 -7.758 1.00 15.23 C ATOM 965 C SER A 62 -4.163 -9.824 -7.908 1.00 44.44 C ATOM 966 O SER A 62 -3.773 -9.140 -6.960 1.00 13.43 O ATOM 967 CB SER A 62 -6.649 -10.042 -8.123 1.00 24.51 C ATOM 968 OG SER A 62 -6.560 -9.433 -9.404 1.00 33.13 O ATOM 0 H SER A 62 -6.254 -10.983 -5.865 1.00 45.14 H new ATOM 0 HA SER A 62 -5.199 -11.622 -8.435 1.00 15.23 H new ATOM 0 HB2 SER A 62 -7.485 -10.741 -8.109 1.00 24.51 H new ATOM 0 HB3 SER A 62 -6.858 -9.281 -7.371 1.00 24.51 H new ATOM 0 HG SER A 62 -7.401 -8.972 -9.606 1.00 33.13 H new ATOM 974 N ALA A 63 -3.598 -9.771 -9.113 1.00 12.33 N ATOM 975 CA ALA A 63 -2.468 -8.882 -9.405 1.00 33.03 C ATOM 976 C ALA A 63 -2.941 -7.485 -9.845 1.00 2.43 C ATOM 977 O ALA A 63 -2.249 -6.488 -9.628 1.00 62.04 O ATOM 978 CB ALA A 63 -1.577 -9.500 -10.474 1.00 74.11 C ATOM 0 H ALA A 63 -3.903 -10.334 -9.907 1.00 12.33 H new ATOM 0 HA ALA A 63 -1.894 -8.761 -8.486 1.00 33.03 H new ATOM 0 HB1 ALA A 63 -0.742 -8.831 -10.683 1.00 74.11 H new ATOM 0 HB2 ALA A 63 -1.196 -10.458 -10.121 1.00 74.11 H new ATOM 0 HB3 ALA A 63 -2.155 -9.654 -11.385 1.00 74.11 H new ATOM 984 N ALA A 64 -4.124 -7.419 -10.454 1.00 13.44 N ATOM 985 CA ALA A 64 -4.682 -6.148 -10.935 1.00 24.44 C ATOM 986 C ALA A 64 -4.777 -5.100 -9.814 1.00 15.52 C ATOM 987 O ALA A 64 -4.252 -3.992 -9.940 1.00 70.45 O ATOM 988 CB ALA A 64 -6.051 -6.382 -11.563 1.00 43.12 C ATOM 0 H ALA A 64 -4.718 -8.230 -10.628 1.00 13.44 H new ATOM 0 HA ALA A 64 -4.002 -5.753 -11.690 1.00 24.44 H new ATOM 0 HB1 ALA A 64 -6.456 -5.434 -11.916 1.00 43.12 H new ATOM 0 HB2 ALA A 64 -5.953 -7.070 -12.403 1.00 43.12 H new ATOM 0 HB3 ALA A 64 -6.724 -6.810 -10.820 1.00 43.12 H new ATOM 994 N LYS A 65 -5.423 -5.462 -8.703 1.00 64.21 N ATOM 995 CA LYS A 65 -5.564 -4.552 -7.556 1.00 10.33 C ATOM 996 C LYS A 65 -4.204 -4.144 -6.945 1.00 73.35 C ATOM 997 O LYS A 65 -4.154 -3.335 -6.015 1.00 33.41 O ATOM 998 CB LYS A 65 -6.481 -5.177 -6.478 1.00 52.33 C ATOM 999 CG LYS A 65 -6.146 -6.624 -6.084 1.00 34.02 C ATOM 1000 CD LYS A 65 -4.831 -6.769 -5.306 1.00 34.12 C ATOM 1001 CE LYS A 65 -4.890 -6.162 -3.904 1.00 40.11 C ATOM 1002 NZ LYS A 65 -4.955 -4.675 -3.924 1.00 75.24 N ATOM 0 H LYS A 65 -5.857 -6.376 -8.570 1.00 64.21 H new ATOM 0 HA LYS A 65 -6.025 -3.639 -7.932 1.00 10.33 H new ATOM 0 HB2 LYS A 65 -6.437 -4.556 -5.584 1.00 52.33 H new ATOM 0 HB3 LYS A 65 -7.509 -5.145 -6.838 1.00 52.33 H new ATOM 0 HG2 LYS A 65 -6.960 -7.023 -5.479 1.00 34.02 H new ATOM 0 HG3 LYS A 65 -6.092 -7.232 -6.987 1.00 34.02 H new ATOM 0 HD2 LYS A 65 -4.578 -7.826 -5.227 1.00 34.12 H new ATOM 0 HD3 LYS A 65 -4.029 -6.291 -5.868 1.00 34.12 H new ATOM 0 HE2 LYS A 65 -5.762 -6.553 -3.380 1.00 40.11 H new ATOM 0 HE3 LYS A 65 -4.012 -6.476 -3.339 1.00 40.11 H new ATOM 0 HZ1 LYS A 65 -4.516 -4.297 -3.061 1.00 75.24 H new ATOM 0 HZ2 LYS A 65 -4.446 -4.316 -4.757 1.00 75.24 H new ATOM 0 HZ3 LYS A 65 -5.949 -4.372 -3.968 1.00 75.24 H new ATOM 1016 N CYS A 66 -3.117 -4.737 -7.430 1.00 40.51 N ATOM 1017 CA CYS A 66 -1.763 -4.365 -6.992 1.00 62.24 C ATOM 1018 C CYS A 66 -1.129 -3.350 -7.955 1.00 13.42 C ATOM 1019 O CYS A 66 -0.563 -2.342 -7.529 1.00 3.23 O ATOM 1020 CB CYS A 66 -0.877 -5.612 -6.881 1.00 54.35 C ATOM 1021 SG CYS A 66 -1.497 -6.855 -5.720 1.00 23.43 S ATOM 0 H CYS A 66 -3.141 -5.480 -8.129 1.00 40.51 H new ATOM 0 HA CYS A 66 -1.844 -3.898 -6.010 1.00 62.24 H new ATOM 0 HB2 CYS A 66 -0.782 -6.066 -7.867 1.00 54.35 H new ATOM 0 HB3 CYS A 66 0.123 -5.308 -6.572 1.00 54.35 H new ATOM 0 HG CYS A 66 -2.340 -7.635 -6.329 1.00 23.43 H new ATOM 1027 N GLN A 67 -1.243 -3.610 -9.259 1.00 3.12 N ATOM 1028 CA GLN A 67 -0.723 -2.692 -10.281 1.00 34.13 C ATOM 1029 C GLN A 67 -1.471 -1.349 -10.253 1.00 4.54 C ATOM 1030 O GLN A 67 -0.861 -0.279 -10.327 1.00 20.41 O ATOM 1031 CB GLN A 67 -0.833 -3.325 -11.673 1.00 15.43 C ATOM 1032 CG GLN A 67 -0.036 -4.616 -11.826 1.00 33.41 C ATOM 1033 CD GLN A 67 -0.073 -5.173 -13.240 1.00 4.24 C ATOM 1034 OE1 GLN A 67 -0.186 -4.435 -14.216 1.00 40.02 O ATOM 1035 NE2 GLN A 67 0.035 -6.478 -13.366 1.00 43.12 N ATOM 0 H GLN A 67 -1.690 -4.447 -9.634 1.00 3.12 H new ATOM 0 HA GLN A 67 0.327 -2.503 -10.058 1.00 34.13 H new ATOM 0 HB2 GLN A 67 -1.882 -3.529 -11.887 1.00 15.43 H new ATOM 0 HB3 GLN A 67 -0.489 -2.606 -12.417 1.00 15.43 H new ATOM 0 HG2 GLN A 67 1.000 -4.433 -11.541 1.00 33.41 H new ATOM 0 HG3 GLN A 67 -0.429 -5.363 -11.137 1.00 33.41 H new ATOM 0 HE21 GLN A 67 0.127 -7.065 -12.537 1.00 43.12 H new ATOM 0 HE22 GLN A 67 0.026 -6.903 -14.293 1.00 43.12 H new ATOM 1044 N GLU A 68 -2.799 -1.409 -10.153 1.00 73.30 N ATOM 1045 CA GLU A 68 -3.617 -0.195 -10.015 1.00 24.11 C ATOM 1046 C GLU A 68 -3.322 0.537 -8.699 1.00 50.31 C ATOM 1047 O GLU A 68 -3.468 1.754 -8.613 1.00 55.32 O ATOM 1048 CB GLU A 68 -5.114 -0.530 -10.129 1.00 2.41 C ATOM 1049 CG GLU A 68 -5.627 -0.596 -11.570 1.00 54.24 C ATOM 1050 CD GLU A 68 -4.832 -1.552 -12.450 1.00 72.22 C ATOM 1051 OE1 GLU A 68 -5.118 -2.766 -12.424 1.00 64.15 O ATOM 1052 OE2 GLU A 68 -3.930 -1.089 -13.191 1.00 14.35 O ATOM 0 H GLU A 68 -3.333 -2.278 -10.164 1.00 73.30 H new ATOM 0 HA GLU A 68 -3.351 0.476 -10.832 1.00 24.11 H new ATOM 0 HB2 GLU A 68 -5.300 -1.488 -9.643 1.00 2.41 H new ATOM 0 HB3 GLU A 68 -5.687 0.220 -9.584 1.00 2.41 H new ATOM 0 HG2 GLU A 68 -6.672 -0.905 -11.562 1.00 54.24 H new ATOM 0 HG3 GLU A 68 -5.593 0.402 -12.007 1.00 54.24 H new ATOM 1059 N PHE A 69 -2.895 -0.210 -7.679 1.00 64.21 N ATOM 1060 CA PHE A 69 -2.463 0.394 -6.412 1.00 0.23 C ATOM 1061 C PHE A 69 -1.185 1.227 -6.624 1.00 41.11 C ATOM 1062 O PHE A 69 -1.048 2.323 -6.084 1.00 43.05 O ATOM 1063 CB PHE A 69 -2.226 -0.691 -5.349 1.00 22.04 C ATOM 1064 CG PHE A 69 -1.802 -0.150 -4.005 1.00 31.40 C ATOM 1065 CD1 PHE A 69 -2.738 0.388 -3.133 1.00 11.01 C ATOM 1066 CD2 PHE A 69 -0.470 -0.179 -3.615 1.00 23.15 C ATOM 1067 CE1 PHE A 69 -2.354 0.885 -1.903 1.00 30.42 C ATOM 1068 CE2 PHE A 69 -0.082 0.318 -2.385 1.00 5.35 C ATOM 1069 CZ PHE A 69 -1.026 0.850 -1.528 1.00 53.51 C ATOM 0 H PHE A 69 -2.838 -1.228 -7.702 1.00 64.21 H new ATOM 0 HA PHE A 69 -3.254 1.055 -6.058 1.00 0.23 H new ATOM 0 HB2 PHE A 69 -3.141 -1.269 -5.224 1.00 22.04 H new ATOM 0 HB3 PHE A 69 -1.461 -1.379 -5.710 1.00 22.04 H new ATOM 0 HD1 PHE A 69 -3.779 0.418 -3.420 1.00 11.01 H new ATOM 0 HD2 PHE A 69 0.272 -0.595 -4.281 1.00 23.15 H new ATOM 0 HE1 PHE A 69 -3.093 1.301 -1.234 1.00 30.42 H new ATOM 0 HE2 PHE A 69 0.958 0.290 -2.094 1.00 5.35 H new ATOM 0 HZ PHE A 69 -0.725 1.238 -0.566 1.00 53.51 H new ATOM 1079 N GLY A 70 -0.259 0.692 -7.423 1.00 55.33 N ATOM 1080 CA GLY A 70 0.950 1.430 -7.783 1.00 12.03 C ATOM 1081 C GLY A 70 0.664 2.671 -8.629 1.00 13.12 C ATOM 1082 O GLY A 70 1.431 3.638 -8.619 1.00 11.21 O ATOM 0 H GLY A 70 -0.323 -0.241 -7.829 1.00 55.33 H new ATOM 0 HA2 GLY A 70 1.470 1.730 -6.873 1.00 12.03 H new ATOM 0 HA3 GLY A 70 1.622 0.770 -8.332 1.00 12.03 H new ATOM 1086 N ARG A 71 -0.436 2.632 -9.378 1.00 11.01 N ATOM 1087 CA ARG A 71 -0.895 3.794 -10.145 1.00 22.34 C ATOM 1088 C ARG A 71 -1.512 4.839 -9.203 1.00 54.03 C ATOM 1089 O ARG A 71 -1.220 6.034 -9.293 1.00 23.11 O ATOM 1090 CB ARG A 71 -1.917 3.350 -11.202 1.00 51.22 C ATOM 1091 CG ARG A 71 -2.255 4.418 -12.241 1.00 45.12 C ATOM 1092 CD ARG A 71 -1.012 4.882 -13.002 1.00 10.20 C ATOM 1093 NE ARG A 71 -0.210 3.754 -13.481 1.00 24.23 N ATOM 1094 CZ ARG A 71 0.145 3.567 -14.723 1.00 54.33 C ATOM 1095 NH1 ARG A 71 -0.216 4.389 -15.648 1.00 43.00 N ATOM 1096 NH2 ARG A 71 0.867 2.547 -15.027 1.00 70.02 N ATOM 0 H ARG A 71 -1.029 1.807 -9.472 1.00 11.01 H new ATOM 0 HA ARG A 71 -0.043 4.248 -10.651 1.00 22.34 H new ATOM 0 HB2 ARG A 71 -1.531 2.470 -11.716 1.00 51.22 H new ATOM 0 HB3 ARG A 71 -2.835 3.048 -10.698 1.00 51.22 H new ATOM 0 HG2 ARG A 71 -2.986 4.021 -12.946 1.00 45.12 H new ATOM 0 HG3 ARG A 71 -2.719 5.272 -11.747 1.00 45.12 H new ATOM 0 HD2 ARG A 71 -1.314 5.498 -13.849 1.00 10.20 H new ATOM 0 HD3 ARG A 71 -0.403 5.510 -12.352 1.00 10.20 H new ATOM 0 HE ARG A 71 0.093 3.064 -12.794 1.00 24.23 H new ATOM 0 HH11 ARG A 71 -0.788 5.201 -15.414 1.00 43.00 H new ATOM 0 HH12 ARG A 71 0.070 4.228 -16.614 1.00 43.00 H new ATOM 0 HH21 ARG A 71 1.157 1.893 -14.300 1.00 70.02 H new ATOM 0 HH22 ARG A 71 1.149 2.392 -15.995 1.00 70.02 H new ATOM 1110 N TRP A 72 -2.363 4.365 -8.295 1.00 55.20 N ATOM 1111 CA TRP A 72 -2.961 5.207 -7.255 1.00 64.31 C ATOM 1112 C TRP A 72 -1.876 5.854 -6.376 1.00 12.43 C ATOM 1113 O TRP A 72 -1.990 7.014 -5.982 1.00 41.35 O ATOM 1114 CB TRP A 72 -3.909 4.358 -6.396 1.00 10.43 C ATOM 1115 CG TRP A 72 -4.582 5.120 -5.292 1.00 34.55 C ATOM 1116 CD1 TRP A 72 -5.617 6.003 -5.416 1.00 61.21 C ATOM 1117 CD2 TRP A 72 -4.279 5.051 -3.892 1.00 44.24 C ATOM 1118 NE1 TRP A 72 -5.973 6.486 -4.182 1.00 60.30 N ATOM 1119 CE2 TRP A 72 -5.169 5.916 -3.230 1.00 12.45 C ATOM 1120 CE3 TRP A 72 -3.343 4.340 -3.135 1.00 13.22 C ATOM 1121 CZ2 TRP A 72 -5.151 6.088 -1.847 1.00 64.43 C ATOM 1122 CZ3 TRP A 72 -3.326 4.511 -1.764 1.00 43.23 C ATOM 1123 CH2 TRP A 72 -4.225 5.379 -1.131 1.00 62.04 C ATOM 0 H TRP A 72 -2.658 3.389 -8.257 1.00 55.20 H new ATOM 0 HA TRP A 72 -3.523 6.009 -7.733 1.00 64.31 H new ATOM 0 HB2 TRP A 72 -4.673 3.921 -7.040 1.00 10.43 H new ATOM 0 HB3 TRP A 72 -3.347 3.531 -5.962 1.00 10.43 H new ATOM 0 HD1 TRP A 72 -6.086 6.280 -6.348 1.00 61.21 H new ATOM 0 HE1 TRP A 72 -6.716 7.161 -4.002 1.00 60.30 H new ATOM 0 HE3 TRP A 72 -2.645 3.669 -3.614 1.00 13.22 H new ATOM 0 HZ2 TRP A 72 -5.843 6.757 -1.358 1.00 64.43 H new ATOM 0 HZ3 TRP A 72 -2.607 3.966 -1.170 1.00 43.23 H new ATOM 0 HH2 TRP A 72 -4.187 5.491 -0.057 1.00 62.04 H new ATOM 1134 N TYR A 73 -0.823 5.086 -6.092 1.00 42.52 N ATOM 1135 CA TYR A 73 0.334 5.560 -5.320 1.00 2.21 C ATOM 1136 C TYR A 73 0.865 6.896 -5.871 1.00 51.21 C ATOM 1137 O TYR A 73 1.158 7.828 -5.116 1.00 10.44 O ATOM 1138 CB TYR A 73 1.434 4.487 -5.368 1.00 41.01 C ATOM 1139 CG TYR A 73 2.646 4.763 -4.494 1.00 61.12 C ATOM 1140 CD1 TYR A 73 2.660 4.389 -3.155 1.00 2.31 C ATOM 1141 CD2 TYR A 73 3.781 5.381 -5.012 1.00 74.14 C ATOM 1142 CE1 TYR A 73 3.764 4.620 -2.358 1.00 42.42 C ATOM 1143 CE2 TYR A 73 4.890 5.614 -4.220 1.00 34.23 C ATOM 1144 CZ TYR A 73 4.877 5.232 -2.894 1.00 64.20 C ATOM 1145 OH TYR A 73 5.981 5.463 -2.101 1.00 10.15 O ATOM 0 H TYR A 73 -0.745 4.114 -6.391 1.00 42.52 H new ATOM 0 HA TYR A 73 0.026 5.732 -4.289 1.00 2.21 H new ATOM 0 HB2 TYR A 73 1.001 3.532 -5.070 1.00 41.01 H new ATOM 0 HB3 TYR A 73 1.768 4.377 -6.400 1.00 41.01 H new ATOM 0 HD1 TYR A 73 1.791 3.909 -2.730 1.00 2.31 H new ATOM 0 HD2 TYR A 73 3.795 5.683 -6.049 1.00 74.14 H new ATOM 0 HE1 TYR A 73 3.755 4.323 -1.320 1.00 42.42 H new ATOM 0 HE2 TYR A 73 5.763 6.093 -4.637 1.00 34.23 H new ATOM 0 HH TYR A 73 6.752 5.674 -2.668 1.00 10.15 H new ATOM 1155 N LYS A 74 0.965 6.978 -7.201 1.00 32.44 N ATOM 1156 CA LYS A 74 1.419 8.196 -7.881 1.00 73.13 C ATOM 1157 C LYS A 74 0.460 9.373 -7.627 1.00 43.43 C ATOM 1158 O LYS A 74 0.888 10.468 -7.274 1.00 74.14 O ATOM 1159 CB LYS A 74 1.536 7.941 -9.393 1.00 22.35 C ATOM 1160 CG LYS A 74 1.960 9.167 -10.203 1.00 73.21 C ATOM 1161 CD LYS A 74 1.938 8.891 -11.705 1.00 10.25 C ATOM 1162 CE LYS A 74 2.923 7.794 -12.102 1.00 14.12 C ATOM 1163 NZ LYS A 74 4.336 8.221 -11.926 1.00 4.34 N ATOM 0 H LYS A 74 0.736 6.210 -7.832 1.00 32.44 H new ATOM 0 HA LYS A 74 2.396 8.460 -7.476 1.00 73.13 H new ATOM 0 HB2 LYS A 74 2.257 7.141 -9.561 1.00 22.35 H new ATOM 0 HB3 LYS A 74 0.575 7.587 -9.766 1.00 22.35 H new ATOM 0 HG2 LYS A 74 1.294 10.000 -9.977 1.00 73.21 H new ATOM 0 HG3 LYS A 74 2.963 9.471 -9.904 1.00 73.21 H new ATOM 0 HD2 LYS A 74 0.931 8.600 -12.005 1.00 10.25 H new ATOM 0 HD3 LYS A 74 2.179 9.807 -12.245 1.00 10.25 H new ATOM 0 HE2 LYS A 74 2.736 6.904 -11.501 1.00 14.12 H new ATOM 0 HE3 LYS A 74 2.756 7.516 -13.143 1.00 14.12 H new ATOM 0 HZ1 LYS A 74 4.850 8.100 -12.822 1.00 4.34 H new ATOM 0 HZ2 LYS A 74 4.364 9.222 -11.644 1.00 4.34 H new ATOM 0 HZ3 LYS A 74 4.785 7.641 -11.189 1.00 4.34 H new ATOM 1177 N HIS A 75 -0.839 9.133 -7.802 1.00 4.35 N ATOM 1178 CA HIS A 75 -1.856 10.179 -7.615 1.00 2.44 C ATOM 1179 C HIS A 75 -2.018 10.561 -6.132 1.00 33.53 C ATOM 1180 O HIS A 75 -2.418 11.680 -5.808 1.00 13.13 O ATOM 1181 CB HIS A 75 -3.201 9.708 -8.186 1.00 22.32 C ATOM 1182 CG HIS A 75 -4.290 10.739 -8.110 1.00 24.34 C ATOM 1183 ND1 HIS A 75 -5.353 10.650 -7.238 1.00 23.35 N ATOM 1184 CD2 HIS A 75 -4.484 11.879 -8.814 1.00 21.05 C ATOM 1185 CE1 HIS A 75 -6.149 11.682 -7.408 1.00 62.34 C ATOM 1186 NE2 HIS A 75 -5.647 12.446 -8.356 1.00 51.23 N ATOM 0 H HIS A 75 -1.217 8.225 -8.073 1.00 4.35 H new ATOM 0 HA HIS A 75 -1.521 11.068 -8.150 1.00 2.44 H new ATOM 0 HB2 HIS A 75 -3.061 9.418 -9.227 1.00 22.32 H new ATOM 0 HB3 HIS A 75 -3.521 8.816 -7.647 1.00 22.32 H new ATOM 0 HD2 HIS A 75 -3.843 12.269 -9.591 1.00 21.05 H new ATOM 0 HE1 HIS A 75 -7.061 11.872 -6.862 1.00 62.34 H new ATOM 0 HE2 HIS A 75 -6.056 13.317 -8.695 1.00 51.23 H new ATOM 1195 N PHE A 76 -1.703 9.623 -5.243 1.00 34.13 N ATOM 1196 CA PHE A 76 -1.829 9.836 -3.798 1.00 63.34 C ATOM 1197 C PHE A 76 -0.691 10.717 -3.249 1.00 42.42 C ATOM 1198 O PHE A 76 -0.934 11.710 -2.562 1.00 51.53 O ATOM 1199 CB PHE A 76 -1.846 8.475 -3.081 1.00 23.33 C ATOM 1200 CG PHE A 76 -2.011 8.566 -1.585 1.00 73.22 C ATOM 1201 CD1 PHE A 76 -3.241 8.895 -1.027 1.00 32.04 C ATOM 1202 CD2 PHE A 76 -0.940 8.321 -0.736 1.00 32.44 C ATOM 1203 CE1 PHE A 76 -3.396 8.977 0.343 1.00 1.04 C ATOM 1204 CE2 PHE A 76 -1.094 8.401 0.634 1.00 64.35 C ATOM 1205 CZ PHE A 76 -2.322 8.730 1.174 1.00 34.42 C ATOM 0 H PHE A 76 -1.355 8.699 -5.498 1.00 34.13 H new ATOM 0 HA PHE A 76 -2.765 10.363 -3.610 1.00 63.34 H new ATOM 0 HB2 PHE A 76 -2.658 7.872 -3.489 1.00 23.33 H new ATOM 0 HB3 PHE A 76 -0.917 7.949 -3.301 1.00 23.33 H new ATOM 0 HD1 PHE A 76 -4.085 9.089 -1.672 1.00 32.04 H new ATOM 0 HD2 PHE A 76 0.024 8.065 -1.151 1.00 32.44 H new ATOM 0 HE1 PHE A 76 -4.357 9.234 0.764 1.00 1.04 H new ATOM 0 HE2 PHE A 76 -0.254 8.206 1.284 1.00 64.35 H new ATOM 0 HZ PHE A 76 -2.442 8.794 2.245 1.00 34.42 H new ATOM 1215 N LYS A 77 0.552 10.347 -3.555 1.00 72.14 N ATOM 1216 CA LYS A 77 1.726 11.069 -3.038 1.00 72.22 C ATOM 1217 C LYS A 77 2.215 12.175 -3.992 1.00 21.32 C ATOM 1218 O LYS A 77 2.805 13.162 -3.548 1.00 34.10 O ATOM 1219 CB LYS A 77 2.869 10.084 -2.761 1.00 43.32 C ATOM 1220 CG LYS A 77 2.578 9.089 -1.639 1.00 23.31 C ATOM 1221 CD LYS A 77 3.727 8.100 -1.445 1.00 53.45 C ATOM 1222 CE LYS A 77 5.048 8.798 -1.132 1.00 31.41 C ATOM 1223 NZ LYS A 77 6.151 7.822 -0.927 1.00 41.32 N ATOM 0 H LYS A 77 0.777 9.554 -4.156 1.00 72.14 H new ATOM 0 HA LYS A 77 1.416 11.554 -2.113 1.00 72.22 H new ATOM 0 HB2 LYS A 77 3.087 9.531 -3.675 1.00 43.32 H new ATOM 0 HB3 LYS A 77 3.767 10.648 -2.508 1.00 43.32 H new ATOM 0 HG2 LYS A 77 2.404 9.630 -0.709 1.00 23.31 H new ATOM 0 HG3 LYS A 77 1.663 8.543 -1.866 1.00 23.31 H new ATOM 0 HD2 LYS A 77 3.480 7.415 -0.634 1.00 53.45 H new ATOM 0 HD3 LYS A 77 3.842 7.499 -2.347 1.00 53.45 H new ATOM 0 HE2 LYS A 77 5.306 9.472 -1.949 1.00 31.41 H new ATOM 0 HE3 LYS A 77 4.933 9.410 -0.238 1.00 31.41 H new ATOM 0 HZ1 LYS A 77 6.992 8.132 -1.455 1.00 41.32 H new ATOM 0 HZ2 LYS A 77 6.380 7.764 0.086 1.00 41.32 H new ATOM 0 HZ3 LYS A 77 5.854 6.886 -1.268 1.00 41.32 H new ATOM 1237 N LYS A 78 1.977 12.002 -5.294 1.00 74.22 N ATOM 1238 CA LYS A 78 2.443 12.958 -6.315 1.00 5.13 C ATOM 1239 C LYS A 78 3.981 13.095 -6.258 1.00 72.31 C ATOM 1240 O LYS A 78 4.528 14.198 -6.179 1.00 33.44 O ATOM 1241 CB LYS A 78 1.743 14.324 -6.115 1.00 74.23 C ATOM 1242 CG LYS A 78 1.292 15.009 -7.408 1.00 42.55 C ATOM 1243 CD LYS A 78 2.464 15.425 -8.292 1.00 42.10 C ATOM 1244 CE LYS A 78 1.996 16.191 -9.524 1.00 11.11 C ATOM 1245 NZ LYS A 78 1.256 17.429 -9.160 1.00 41.11 N ATOM 0 H LYS A 78 1.462 11.207 -5.673 1.00 74.22 H new ATOM 0 HA LYS A 78 2.181 12.586 -7.305 1.00 5.13 H new ATOM 0 HB2 LYS A 78 0.873 14.180 -5.474 1.00 74.23 H new ATOM 0 HB3 LYS A 78 2.423 14.991 -5.585 1.00 74.23 H new ATOM 0 HG2 LYS A 78 0.643 14.333 -7.965 1.00 42.55 H new ATOM 0 HG3 LYS A 78 0.698 15.889 -7.160 1.00 42.55 H new ATOM 0 HD2 LYS A 78 3.151 16.045 -7.717 1.00 42.10 H new ATOM 0 HD3 LYS A 78 3.018 14.539 -8.603 1.00 42.10 H new ATOM 0 HE2 LYS A 78 2.858 16.451 -10.139 1.00 11.11 H new ATOM 0 HE3 LYS A 78 1.355 15.549 -10.128 1.00 11.11 H new ATOM 0 HZ1 LYS A 78 1.177 18.044 -9.995 1.00 41.11 H new ATOM 0 HZ2 LYS A 78 0.304 17.178 -8.823 1.00 41.11 H new ATOM 0 HZ3 LYS A 78 1.768 17.931 -8.407 1.00 41.11 H new ATOM 1259 N THR A 79 4.666 11.954 -6.330 1.00 41.03 N ATOM 1260 CA THR A 79 6.126 11.880 -6.128 1.00 72.42 C ATOM 1261 C THR A 79 6.936 12.293 -7.366 1.00 3.40 C ATOM 1262 O THR A 79 8.033 11.770 -7.584 1.00 62.04 O ATOM 1263 CB THR A 79 6.547 10.438 -5.753 1.00 63.42 C ATOM 1264 OG1 THR A 79 6.170 9.523 -6.800 1.00 41.34 O ATOM 1265 CG2 THR A 79 5.900 10.003 -4.447 1.00 12.21 C ATOM 0 H THR A 79 4.232 11.053 -6.529 1.00 41.03 H new ATOM 0 HA THR A 79 6.344 12.583 -5.324 1.00 72.42 H new ATOM 0 HB THR A 79 7.630 10.426 -5.628 1.00 63.42 H new ATOM 0 HG1 THR A 79 6.442 8.614 -6.554 1.00 41.34 H new ATOM 0 HG21 THR A 79 6.212 8.987 -4.207 1.00 12.21 H new ATOM 0 HG22 THR A 79 6.208 10.676 -3.647 1.00 12.21 H new ATOM 0 HG23 THR A 79 4.815 10.034 -4.550 1.00 12.21 H new ATOM 1273 N LYS A 80 6.425 13.249 -8.147 1.00 13.44 N ATOM 1274 CA LYS A 80 7.059 13.637 -9.422 1.00 51.12 C ATOM 1275 C LYS A 80 6.971 12.475 -10.436 1.00 14.44 C ATOM 1276 O LYS A 80 6.748 11.325 -10.047 1.00 62.35 O ATOM 1277 CB LYS A 80 8.517 14.086 -9.182 1.00 31.41 C ATOM 1278 CG LYS A 80 9.256 14.594 -10.418 1.00 22.52 C ATOM 1279 CD LYS A 80 10.602 15.219 -10.047 1.00 45.24 C ATOM 1280 CE LYS A 80 11.397 15.649 -11.277 1.00 23.14 C ATOM 1281 NZ LYS A 80 11.868 14.483 -12.070 1.00 43.41 N ATOM 0 H LYS A 80 5.577 13.770 -7.925 1.00 13.44 H new ATOM 0 HA LYS A 80 6.523 14.486 -9.847 1.00 51.12 H new ATOM 0 HB2 LYS A 80 8.518 14.874 -8.429 1.00 31.41 H new ATOM 0 HB3 LYS A 80 9.074 13.247 -8.765 1.00 31.41 H new ATOM 0 HG2 LYS A 80 9.415 13.769 -11.113 1.00 22.52 H new ATOM 0 HG3 LYS A 80 8.641 15.331 -10.934 1.00 22.52 H new ATOM 0 HD2 LYS A 80 10.434 16.083 -9.404 1.00 45.24 H new ATOM 0 HD3 LYS A 80 11.187 14.502 -9.471 1.00 45.24 H new ATOM 0 HE2 LYS A 80 10.776 16.288 -11.905 1.00 23.14 H new ATOM 0 HE3 LYS A 80 12.254 16.245 -10.965 1.00 23.14 H new ATOM 0 HZ1 LYS A 80 12.528 14.807 -12.806 1.00 43.41 H new ATOM 0 HZ2 LYS A 80 12.353 13.810 -11.443 1.00 43.41 H new ATOM 0 HZ3 LYS A 80 11.054 14.015 -12.517 1.00 43.41 H new ATOM 1295 N ASP A 81 7.133 12.781 -11.727 1.00 41.11 N ATOM 1296 CA ASP A 81 6.874 11.812 -12.806 1.00 32.01 C ATOM 1297 C ASP A 81 5.362 11.546 -12.916 1.00 61.34 C ATOM 1298 O ASP A 81 4.801 10.751 -12.159 1.00 24.25 O ATOM 1299 CB ASP A 81 7.649 10.498 -12.579 1.00 32.50 C ATOM 1300 CG ASP A 81 7.434 9.487 -13.694 1.00 14.43 C ATOM 1301 OD1 ASP A 81 8.155 9.558 -14.710 1.00 53.04 O ATOM 1302 OD2 ASP A 81 6.542 8.618 -13.565 1.00 44.30 O ATOM 0 H ASP A 81 7.444 13.695 -12.055 1.00 41.11 H new ATOM 0 HA ASP A 81 7.227 12.238 -13.745 1.00 32.01 H new ATOM 0 HB2 ASP A 81 8.713 10.719 -12.495 1.00 32.50 H new ATOM 0 HB3 ASP A 81 7.339 10.058 -11.631 1.00 32.50 H new ATOM 1307 N MET A 82 4.699 12.229 -13.848 1.00 33.53 N ATOM 1308 CA MET A 82 3.238 12.162 -13.956 1.00 34.54 C ATOM 1309 C MET A 82 2.765 12.133 -15.420 1.00 44.34 C ATOM 1310 O MET A 82 2.674 13.171 -16.075 1.00 72.23 O ATOM 1311 CB MET A 82 2.611 13.352 -13.209 1.00 21.40 C ATOM 1312 CG MET A 82 3.211 14.700 -13.590 1.00 33.31 C ATOM 1313 SD MET A 82 2.384 16.086 -12.783 1.00 21.41 S ATOM 1314 CE MET A 82 3.384 17.460 -13.356 1.00 31.31 C ATOM 0 H MET A 82 5.146 12.833 -14.538 1.00 33.53 H new ATOM 0 HA MET A 82 2.910 11.229 -13.499 1.00 34.54 H new ATOM 0 HB2 MET A 82 1.540 13.372 -13.409 1.00 21.40 H new ATOM 0 HB3 MET A 82 2.732 13.201 -12.136 1.00 21.40 H new ATOM 0 HG2 MET A 82 4.268 14.710 -13.326 1.00 33.31 H new ATOM 0 HG3 MET A 82 3.152 14.827 -14.671 1.00 33.31 H new ATOM 0 HE1 MET A 82 2.996 18.390 -12.941 1.00 31.31 H new ATOM 0 HE2 MET A 82 4.415 17.320 -13.032 1.00 31.31 H new ATOM 0 HE3 MET A 82 3.349 17.506 -14.444 1.00 31.31 H new ATOM 1324 N MET A 83 2.485 10.929 -15.922 1.00 44.02 N ATOM 1325 CA MET A 83 1.885 10.734 -17.256 1.00 40.12 C ATOM 1326 C MET A 83 2.728 11.368 -18.389 1.00 11.13 C ATOM 1327 O MET A 83 3.808 10.819 -18.710 1.00 37.91 O ATOM 1328 CB MET A 83 0.451 11.294 -17.264 1.00 2.13 C ATOM 1329 CG MET A 83 -0.433 10.709 -16.171 1.00 52.15 C ATOM 1330 SD MET A 83 -2.072 11.461 -16.114 1.00 20.23 S ATOM 1331 CE MET A 83 -2.796 10.589 -14.724 1.00 1.43 C ATOM 1332 OXT MET A 83 2.293 12.384 -18.984 1.00 37.91 O ATOM 0 H MET A 83 2.665 10.059 -15.421 1.00 44.02 H new ATOM 0 HA MET A 83 1.862 9.662 -17.454 1.00 40.12 H new ATOM 0 HB2 MET A 83 0.491 12.377 -17.148 1.00 2.13 H new ATOM 0 HB3 MET A 83 -0.004 11.094 -18.234 1.00 2.13 H new ATOM 0 HG2 MET A 83 -0.537 9.636 -16.331 1.00 52.15 H new ATOM 0 HG3 MET A 83 0.056 10.842 -15.206 1.00 52.15 H new ATOM 0 HE1 MET A 83 -3.814 10.944 -14.562 1.00 1.43 H new ATOM 0 HE2 MET A 83 -2.814 9.520 -14.935 1.00 1.43 H new ATOM 0 HE3 MET A 83 -2.201 10.773 -13.829 1.00 1.43 H new TER 1342 MET A 83