USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1152 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.25 (180deg=1.1) USER MOD Single : A 2 ASN : amide:sc= 0.0162 K(o=0.016,f=-3.4!) USER MOD Single : A 9 SER OG : rot 36:sc= 0.628 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.17) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0769) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -2.59! (180deg=-4.57!) USER MOD Single : A 25 ASN : amide:sc= -0.837 X(o=-0.84,f=-0.68) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -0.0225 (180deg=-0.136) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc=-0.00464 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 76:sc= 1.58 USER MOD Single : A 47 LYS NZ :NH3+ -112:sc= 1.18 (180deg=-0.521) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= -0.0117 (180deg=-0.114) USER MOD Single : A 49 TYR OH : rot 30:sc= -0.193 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 61 LYS NZ :NH3+ -148:sc= 1.24 (180deg=0.382) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= -3.02! (180deg=-4.72!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -28:sc= 0.154 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0858 X(o=-0.086,f=-0.026) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 88 ASN : amide:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc=-0.00789 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 177:sc= 0.896 (180deg=0.757) USER MOD Single : A 116 SER OG : rot 88:sc= 0.722 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.37) USER MOD Single : A 130 HIS : no HE2:sc= -0.251 K(o=-0.25,f=-3.3!) USER MOD Single : A 131 HIS : no HE2:sc= -0.071 K(o=-0.071,f=-2.3!) USER MOD Single : A 132 HIS : no HE2:sc= 0.542 K(o=0.54,f=-2.6!) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 134 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.147 6.551 12.238 1.00 11.32 N ATOM 2 CA MET A 1 -0.085 7.185 11.410 1.00 71.53 C ATOM 3 C MET A 1 0.903 6.142 10.855 1.00 45.23 C ATOM 4 O MET A 1 1.767 5.642 11.571 1.00 30.35 O ATOM 5 CB MET A 1 0.661 8.263 12.218 1.00 50.41 C ATOM 6 CG MET A 1 1.238 7.776 13.543 1.00 25.12 C ATOM 7 SD MET A 1 2.060 9.092 14.463 1.00 2.43 S ATOM 8 CE MET A 1 2.587 8.213 15.934 1.00 53.05 C ATOM 0 H1 MET A 1 -1.701 7.289 12.717 1.00 11.32 H new ATOM 0 H2 MET A 1 -1.774 5.989 11.628 1.00 11.32 H new ATOM 0 H3 MET A 1 -0.709 5.931 12.949 1.00 11.32 H new ATOM 0 HA MET A 1 -0.572 7.661 10.559 1.00 71.53 H new ATOM 0 HB2 MET A 1 1.472 8.660 11.607 1.00 50.41 H new ATOM 0 HB3 MET A 1 -0.023 9.089 12.416 1.00 50.41 H new ATOM 0 HG2 MET A 1 0.437 7.357 14.152 1.00 25.12 H new ATOM 0 HG3 MET A 1 1.948 6.972 13.353 1.00 25.12 H new ATOM 0 HE1 MET A 1 3.111 8.899 16.599 1.00 53.05 H new ATOM 0 HE2 MET A 1 1.715 7.806 16.446 1.00 53.05 H new ATOM 0 HE3 MET A 1 3.255 7.399 15.652 1.00 53.05 H new ATOM 20 N ASN A 2 0.734 5.812 9.576 1.00 11.21 N ATOM 21 CA ASN A 2 1.616 4.877 8.855 1.00 32.13 C ATOM 22 C ASN A 2 1.117 4.732 7.410 1.00 34.14 C ATOM 23 O ASN A 2 -0.012 5.119 7.111 1.00 72.33 O ATOM 24 CB ASN A 2 1.653 3.501 9.542 1.00 33.34 C ATOM 25 CG ASN A 2 2.660 2.555 8.911 1.00 32.32 C ATOM 26 OD1 ASN A 2 3.668 2.980 8.363 1.00 31.21 O ATOM 27 ND2 ASN A 2 2.396 1.267 8.984 1.00 11.11 N ATOM 0 H ASN A 2 -0.022 6.185 9.001 1.00 11.21 H new ATOM 0 HA ASN A 2 2.630 5.277 8.861 1.00 32.13 H new ATOM 0 HB2 ASN A 2 1.896 3.633 10.596 1.00 33.34 H new ATOM 0 HB3 ASN A 2 0.661 3.051 9.498 1.00 33.34 H new ATOM 0 HD21 ASN A 2 3.041 0.590 8.576 1.00 11.11 H new ATOM 0 HD22 ASN A 2 1.546 0.946 9.448 1.00 11.11 H new ATOM 34 N ILE A 3 1.935 4.179 6.519 1.00 5.24 N ATOM 35 CA ILE A 3 1.548 4.049 5.109 1.00 41.35 C ATOM 36 C ILE A 3 1.895 2.665 4.526 1.00 74.22 C ATOM 37 O ILE A 3 3.045 2.224 4.560 1.00 23.53 O ATOM 38 CB ILE A 3 2.193 5.170 4.247 1.00 62.41 C ATOM 39 CG1 ILE A 3 1.832 4.990 2.759 1.00 31.30 C ATOM 40 CG2 ILE A 3 3.708 5.210 4.450 1.00 71.42 C ATOM 41 CD1 ILE A 3 2.362 6.091 1.860 1.00 5.12 C ATOM 0 H ILE A 3 2.862 3.816 6.740 1.00 5.24 H new ATOM 0 HA ILE A 3 0.464 4.155 5.076 1.00 41.35 H new ATOM 0 HB ILE A 3 1.790 6.128 4.575 1.00 62.41 H new ATOM 0 HG12 ILE A 3 2.223 4.033 2.414 1.00 31.30 H new ATOM 0 HG13 ILE A 3 0.747 4.945 2.661 1.00 31.30 H new ATOM 0 HG21 ILE A 3 4.137 6.002 3.836 1.00 71.42 H new ATOM 0 HG22 ILE A 3 3.929 5.404 5.500 1.00 71.42 H new ATOM 0 HG23 ILE A 3 4.139 4.252 4.159 1.00 71.42 H new ATOM 0 HD11 ILE A 3 2.067 5.893 0.830 1.00 5.12 H new ATOM 0 HD12 ILE A 3 1.951 7.049 2.178 1.00 5.12 H new ATOM 0 HD13 ILE A 3 3.450 6.123 1.926 1.00 5.12 H new ATOM 53 N VAL A 4 0.872 1.986 4.006 1.00 1.45 N ATOM 54 CA VAL A 4 1.031 0.681 3.349 1.00 33.54 C ATOM 55 C VAL A 4 0.390 0.708 1.952 1.00 53.23 C ATOM 56 O VAL A 4 -0.792 1.023 1.809 1.00 14.34 O ATOM 57 CB VAL A 4 0.381 -0.456 4.184 1.00 5.14 C ATOM 58 CG1 VAL A 4 0.600 -1.815 3.519 1.00 23.50 C ATOM 59 CG2 VAL A 4 0.920 -0.457 5.615 1.00 43.42 C ATOM 0 H VAL A 4 -0.091 2.322 4.027 1.00 1.45 H new ATOM 0 HA VAL A 4 2.100 0.485 3.263 1.00 33.54 H new ATOM 0 HB VAL A 4 -0.692 -0.271 4.227 1.00 5.14 H new ATOM 0 HG11 VAL A 4 0.136 -2.595 4.123 1.00 23.50 H new ATOM 0 HG12 VAL A 4 0.152 -1.810 2.525 1.00 23.50 H new ATOM 0 HG13 VAL A 4 1.669 -2.010 3.434 1.00 23.50 H new ATOM 0 HG21 VAL A 4 0.450 -1.262 6.180 1.00 43.42 H new ATOM 0 HG22 VAL A 4 1.999 -0.608 5.597 1.00 43.42 H new ATOM 0 HG23 VAL A 4 0.695 0.498 6.089 1.00 43.42 H new ATOM 69 N ILE A 5 1.164 0.380 0.922 1.00 64.00 N ATOM 70 CA ILE A 5 0.669 0.435 -0.460 1.00 52.44 C ATOM 71 C ILE A 5 0.352 -0.966 -1.012 1.00 35.22 C ATOM 72 O ILE A 5 1.227 -1.825 -1.096 1.00 64.14 O ATOM 73 CB ILE A 5 1.689 1.144 -1.389 1.00 14.51 C ATOM 74 CG1 ILE A 5 1.999 2.560 -0.864 1.00 20.44 C ATOM 75 CG2 ILE A 5 1.165 1.203 -2.825 1.00 74.14 C ATOM 76 CD1 ILE A 5 3.020 3.312 -1.693 1.00 42.33 C ATOM 0 H ILE A 5 2.133 0.074 1.012 1.00 64.00 H new ATOM 0 HA ILE A 5 -0.256 1.011 -0.440 1.00 52.44 H new ATOM 0 HB ILE A 5 2.613 0.566 -1.390 1.00 14.51 H new ATOM 0 HG12 ILE A 5 1.074 3.136 -0.834 1.00 20.44 H new ATOM 0 HG13 ILE A 5 2.362 2.485 0.161 1.00 20.44 H new ATOM 0 HG21 ILE A 5 1.896 1.704 -3.459 1.00 74.14 H new ATOM 0 HG22 ILE A 5 0.999 0.191 -3.193 1.00 74.14 H new ATOM 0 HG23 ILE A 5 0.226 1.756 -2.847 1.00 74.14 H new ATOM 0 HD11 ILE A 5 3.184 4.299 -1.260 1.00 42.33 H new ATOM 0 HD12 ILE A 5 3.959 2.759 -1.703 1.00 42.33 H new ATOM 0 HD13 ILE A 5 2.652 3.420 -2.713 1.00 42.33 H new ATOM 88 N VAL A 6 -0.906 -1.185 -1.384 1.00 3.14 N ATOM 89 CA VAL A 6 -1.349 -2.461 -1.960 1.00 55.53 C ATOM 90 C VAL A 6 -1.452 -2.364 -3.493 1.00 72.34 C ATOM 91 O VAL A 6 -2.337 -1.693 -4.023 1.00 55.21 O ATOM 92 CB VAL A 6 -2.722 -2.885 -1.376 1.00 15.13 C ATOM 93 CG1 VAL A 6 -3.185 -4.217 -1.963 1.00 65.05 C ATOM 94 CG2 VAL A 6 -2.658 -2.956 0.149 1.00 62.11 C ATOM 0 H VAL A 6 -1.647 -0.490 -1.297 1.00 3.14 H new ATOM 0 HA VAL A 6 -0.605 -3.214 -1.700 1.00 55.53 H new ATOM 0 HB VAL A 6 -3.455 -2.128 -1.655 1.00 15.13 H new ATOM 0 HG11 VAL A 6 -4.150 -4.488 -1.534 1.00 65.05 H new ATOM 0 HG12 VAL A 6 -3.282 -4.124 -3.045 1.00 65.05 H new ATOM 0 HG13 VAL A 6 -2.454 -4.991 -1.729 1.00 65.05 H new ATOM 0 HG21 VAL A 6 -3.630 -3.255 0.540 1.00 62.11 H new ATOM 0 HG22 VAL A 6 -1.906 -3.686 0.448 1.00 62.11 H new ATOM 0 HG23 VAL A 6 -2.392 -1.977 0.548 1.00 62.11 H new ATOM 104 N VAL A 7 -0.544 -3.033 -4.200 1.00 4.14 N ATOM 105 CA VAL A 7 -0.486 -2.947 -5.669 1.00 62.41 C ATOM 106 C VAL A 7 -0.968 -4.242 -6.348 1.00 74.01 C ATOM 107 O VAL A 7 -0.361 -5.302 -6.183 1.00 11.40 O ATOM 108 CB VAL A 7 0.956 -2.632 -6.146 1.00 4.51 C ATOM 109 CG1 VAL A 7 1.035 -2.566 -7.671 1.00 30.14 C ATOM 110 CG2 VAL A 7 1.461 -1.330 -5.524 1.00 72.04 C ATOM 0 H VAL A 7 0.163 -3.641 -3.787 1.00 4.14 H new ATOM 0 HA VAL A 7 -1.157 -2.138 -5.958 1.00 62.41 H new ATOM 0 HB VAL A 7 1.600 -3.446 -5.813 1.00 4.51 H new ATOM 0 HG11 VAL A 7 2.058 -2.344 -7.973 1.00 30.14 H new ATOM 0 HG12 VAL A 7 0.732 -3.524 -8.093 1.00 30.14 H new ATOM 0 HG13 VAL A 7 0.371 -1.783 -8.036 1.00 30.14 H new ATOM 0 HG21 VAL A 7 2.474 -1.129 -5.873 1.00 72.04 H new ATOM 0 HG22 VAL A 7 0.807 -0.509 -5.817 1.00 72.04 H new ATOM 0 HG23 VAL A 7 1.463 -1.422 -4.438 1.00 72.04 H new ATOM 120 N PHE A 8 -2.050 -4.144 -7.125 1.00 54.31 N ATOM 121 CA PHE A 8 -2.577 -5.293 -7.879 1.00 40.44 C ATOM 122 C PHE A 8 -1.840 -5.476 -9.219 1.00 71.54 C ATOM 123 O PHE A 8 -2.435 -5.366 -10.298 1.00 3.04 O ATOM 124 CB PHE A 8 -4.086 -5.134 -8.118 1.00 53.12 C ATOM 125 CG PHE A 8 -4.929 -5.363 -6.887 1.00 73.31 C ATOM 126 CD1 PHE A 8 -5.145 -4.344 -5.969 1.00 44.33 C ATOM 127 CD2 PHE A 8 -5.501 -6.606 -6.646 1.00 60.22 C ATOM 128 CE1 PHE A 8 -5.914 -4.562 -4.840 1.00 35.34 C ATOM 129 CE2 PHE A 8 -6.269 -6.827 -5.518 1.00 61.44 C ATOM 130 CZ PHE A 8 -6.475 -5.802 -4.615 1.00 11.21 C ATOM 0 H PHE A 8 -2.581 -3.282 -7.251 1.00 54.31 H new ATOM 0 HA PHE A 8 -2.407 -6.187 -7.279 1.00 40.44 H new ATOM 0 HB2 PHE A 8 -4.280 -4.131 -8.497 1.00 53.12 H new ATOM 0 HB3 PHE A 8 -4.396 -5.834 -8.894 1.00 53.12 H new ATOM 0 HD1 PHE A 8 -4.708 -3.371 -6.138 1.00 44.33 H new ATOM 0 HD2 PHE A 8 -5.344 -7.410 -7.349 1.00 60.22 H new ATOM 0 HE1 PHE A 8 -6.075 -3.761 -4.134 1.00 35.34 H new ATOM 0 HE2 PHE A 8 -6.707 -7.799 -5.343 1.00 61.44 H new ATOM 0 HZ PHE A 8 -7.075 -5.971 -3.733 1.00 11.21 H new ATOM 140 N SER A 9 -0.540 -5.744 -9.136 1.00 33.51 N ATOM 141 CA SER A 9 0.290 -6.009 -10.320 1.00 13.13 C ATOM 142 C SER A 9 1.659 -6.563 -9.905 1.00 73.13 C ATOM 143 O SER A 9 2.526 -5.820 -9.444 1.00 11.13 O ATOM 144 CB SER A 9 0.480 -4.738 -11.172 1.00 54.14 C ATOM 145 OG SER A 9 1.190 -3.728 -10.468 1.00 70.14 O ATOM 0 H SER A 9 -0.029 -5.785 -8.254 1.00 33.51 H new ATOM 0 HA SER A 9 -0.231 -6.752 -10.924 1.00 13.13 H new ATOM 0 HB2 SER A 9 1.019 -4.991 -12.085 1.00 54.14 H new ATOM 0 HB3 SER A 9 -0.495 -4.354 -11.473 1.00 54.14 H new ATOM 0 HG SER A 9 1.869 -4.143 -9.896 1.00 70.14 H new ATOM 151 N THR A 10 1.847 -7.873 -10.062 1.00 10.12 N ATOM 152 CA THR A 10 3.106 -8.529 -9.671 1.00 13.15 C ATOM 153 C THR A 10 4.276 -8.142 -10.584 1.00 33.20 C ATOM 154 O THR A 10 5.439 -8.346 -10.232 1.00 53.13 O ATOM 155 CB THR A 10 2.965 -10.066 -9.655 1.00 32.54 C ATOM 156 OG1 THR A 10 2.508 -10.538 -10.930 1.00 62.31 O ATOM 157 CG2 THR A 10 1.991 -10.514 -8.569 1.00 23.22 C ATOM 0 H THR A 10 1.149 -8.504 -10.456 1.00 10.12 H new ATOM 0 HA THR A 10 3.323 -8.176 -8.663 1.00 13.15 H new ATOM 0 HB THR A 10 3.947 -10.489 -9.442 1.00 32.54 H new ATOM 0 HG1 THR A 10 2.425 -11.514 -10.907 1.00 62.31 H new ATOM 0 HG21 THR A 10 1.910 -11.601 -8.579 1.00 23.22 H new ATOM 0 HG22 THR A 10 2.356 -10.186 -7.595 1.00 23.22 H new ATOM 0 HG23 THR A 10 1.011 -10.075 -8.756 1.00 23.22 H new ATOM 165 N ASP A 11 3.969 -7.594 -11.757 1.00 74.14 N ATOM 166 CA ASP A 11 5.001 -7.095 -12.670 1.00 13.23 C ATOM 167 C ASP A 11 5.647 -5.811 -12.121 1.00 61.22 C ATOM 168 O ASP A 11 5.046 -4.732 -12.162 1.00 53.20 O ATOM 169 CB ASP A 11 4.403 -6.842 -14.056 1.00 25.13 C ATOM 170 CG ASP A 11 3.817 -8.105 -14.657 1.00 61.33 C ATOM 171 OD1 ASP A 11 4.563 -8.857 -15.318 1.00 22.24 O ATOM 172 OD2 ASP A 11 2.612 -8.364 -14.456 1.00 1.52 O ATOM 0 H ASP A 11 3.015 -7.483 -12.100 1.00 74.14 H new ATOM 0 HA ASP A 11 5.778 -7.854 -12.756 1.00 13.23 H new ATOM 0 HB2 ASP A 11 3.627 -6.080 -13.983 1.00 25.13 H new ATOM 0 HB3 ASP A 11 5.174 -6.449 -14.718 1.00 25.13 H new ATOM 177 N GLU A 12 6.874 -5.930 -11.613 1.00 23.12 N ATOM 178 CA GLU A 12 7.556 -4.802 -10.964 1.00 10.31 C ATOM 179 C GLU A 12 7.817 -3.629 -11.930 1.00 3.24 C ATOM 180 O GLU A 12 8.189 -2.545 -11.495 1.00 42.12 O ATOM 181 CB GLU A 12 8.878 -5.251 -10.310 1.00 43.53 C ATOM 182 CG GLU A 12 9.578 -4.134 -9.530 1.00 55.44 C ATOM 183 CD GLU A 12 10.866 -4.569 -8.852 1.00 54.20 C ATOM 184 OE1 GLU A 12 11.731 -5.160 -9.528 1.00 11.41 O ATOM 185 OE2 GLU A 12 11.043 -4.279 -7.649 1.00 3.01 O ATOM 0 H GLU A 12 7.418 -6.793 -11.637 1.00 23.12 H new ATOM 0 HA GLU A 12 6.879 -4.443 -10.189 1.00 10.31 H new ATOM 0 HB2 GLU A 12 8.677 -6.084 -9.637 1.00 43.53 H new ATOM 0 HB3 GLU A 12 9.551 -5.621 -11.084 1.00 43.53 H new ATOM 0 HG2 GLU A 12 9.797 -3.312 -10.211 1.00 55.44 H new ATOM 0 HG3 GLU A 12 8.894 -3.748 -8.774 1.00 55.44 H new ATOM 192 N GLU A 13 7.618 -3.830 -13.233 1.00 13.05 N ATOM 193 CA GLU A 13 7.777 -2.733 -14.203 1.00 34.24 C ATOM 194 C GLU A 13 6.921 -1.513 -13.810 1.00 11.22 C ATOM 195 O GLU A 13 7.406 -0.380 -13.786 1.00 23.25 O ATOM 196 CB GLU A 13 7.417 -3.199 -15.621 1.00 51.12 C ATOM 197 CG GLU A 13 7.446 -2.073 -16.653 1.00 0.13 C ATOM 198 CD GLU A 13 7.289 -2.561 -18.084 1.00 0.50 C ATOM 199 OE1 GLU A 13 6.284 -3.238 -18.384 1.00 34.51 O ATOM 200 OE2 GLU A 13 8.169 -2.259 -18.919 1.00 23.21 O ATOM 0 H GLU A 13 7.350 -4.725 -13.642 1.00 13.05 H new ATOM 0 HA GLU A 13 8.825 -2.433 -14.191 1.00 34.24 H new ATOM 0 HB2 GLU A 13 8.113 -3.981 -15.927 1.00 51.12 H new ATOM 0 HB3 GLU A 13 6.422 -3.645 -15.608 1.00 51.12 H new ATOM 0 HG2 GLU A 13 6.649 -1.364 -16.429 1.00 0.13 H new ATOM 0 HG3 GLU A 13 8.388 -1.532 -16.563 1.00 0.13 H new ATOM 207 N THR A 14 5.649 -1.755 -13.492 1.00 12.12 N ATOM 208 CA THR A 14 4.752 -0.690 -13.016 1.00 62.33 C ATOM 209 C THR A 14 5.163 -0.218 -11.613 1.00 2.45 C ATOM 210 O THR A 14 5.199 0.982 -11.329 1.00 22.11 O ATOM 211 CB THR A 14 3.275 -1.163 -12.977 1.00 3.24 C ATOM 212 OG1 THR A 14 2.888 -1.675 -14.260 1.00 74.24 O ATOM 213 CG2 THR A 14 2.338 -0.022 -12.587 1.00 24.31 C ATOM 0 H THR A 14 5.213 -2.675 -13.554 1.00 12.12 H new ATOM 0 HA THR A 14 4.838 0.137 -13.721 1.00 62.33 H new ATOM 0 HB THR A 14 3.197 -1.949 -12.226 1.00 3.24 H new ATOM 0 HG1 THR A 14 1.955 -1.973 -14.226 1.00 74.24 H new ATOM 0 HG21 THR A 14 1.310 -0.385 -12.569 1.00 24.31 H new ATOM 0 HG22 THR A 14 2.609 0.350 -11.599 1.00 24.31 H new ATOM 0 HG23 THR A 14 2.425 0.785 -13.315 1.00 24.31 H new ATOM 221 N LEU A 15 5.488 -1.180 -10.746 1.00 24.24 N ATOM 222 CA LEU A 15 5.945 -0.889 -9.380 1.00 1.22 C ATOM 223 C LEU A 15 7.214 -0.022 -9.385 1.00 35.51 C ATOM 224 O LEU A 15 7.434 0.792 -8.485 1.00 14.03 O ATOM 225 CB LEU A 15 6.208 -2.203 -8.626 1.00 44.42 C ATOM 226 CG LEU A 15 6.705 -2.055 -7.179 1.00 34.43 C ATOM 227 CD1 LEU A 15 5.663 -1.338 -6.325 1.00 63.32 C ATOM 228 CD2 LEU A 15 7.050 -3.420 -6.590 1.00 34.42 C ATOM 0 H LEU A 15 5.443 -2.175 -10.966 1.00 24.24 H new ATOM 0 HA LEU A 15 5.159 -0.329 -8.873 1.00 1.22 H new ATOM 0 HB2 LEU A 15 5.287 -2.785 -8.616 1.00 44.42 H new ATOM 0 HB3 LEU A 15 6.944 -2.780 -9.186 1.00 44.42 H new ATOM 0 HG LEU A 15 7.611 -1.450 -7.184 1.00 34.43 H new ATOM 0 HD11 LEU A 15 6.033 -1.243 -5.304 1.00 63.32 H new ATOM 0 HD12 LEU A 15 5.475 -0.347 -6.737 1.00 63.32 H new ATOM 0 HD13 LEU A 15 4.736 -1.912 -6.323 1.00 63.32 H new ATOM 0 HD21 LEU A 15 7.400 -3.296 -5.565 1.00 34.42 H new ATOM 0 HD22 LEU A 15 6.163 -4.054 -6.596 1.00 34.42 H new ATOM 0 HD23 LEU A 15 7.834 -3.886 -7.187 1.00 34.42 H new ATOM 240 N ARG A 16 8.035 -0.193 -10.417 1.00 54.20 N ATOM 241 CA ARG A 16 9.275 0.573 -10.568 1.00 52.13 C ATOM 242 C ARG A 16 8.984 2.077 -10.580 1.00 62.54 C ATOM 243 O ARG A 16 9.651 2.858 -9.903 1.00 20.12 O ATOM 244 CB ARG A 16 9.996 0.162 -11.864 1.00 54.53 C ATOM 245 CG ARG A 16 11.284 0.936 -12.135 1.00 15.41 C ATOM 246 CD ARG A 16 12.344 0.679 -11.071 1.00 22.31 C ATOM 247 NE ARG A 16 13.500 1.559 -11.231 1.00 61.31 N ATOM 248 CZ ARG A 16 14.708 1.267 -10.833 1.00 20.53 C ATOM 249 NH1 ARG A 16 14.967 0.126 -10.278 1.00 71.11 N ATOM 250 NH2 ARG A 16 15.664 2.117 -11.002 1.00 5.32 N ATOM 0 H ARG A 16 7.864 -0.861 -11.169 1.00 54.20 H new ATOM 0 HA ARG A 16 9.921 0.355 -9.718 1.00 52.13 H new ATOM 0 HB2 ARG A 16 10.228 -0.902 -11.816 1.00 54.53 H new ATOM 0 HB3 ARG A 16 9.317 0.303 -12.705 1.00 54.53 H new ATOM 0 HG2 ARG A 16 11.677 0.654 -13.112 1.00 15.41 H new ATOM 0 HG3 ARG A 16 11.063 2.003 -12.176 1.00 15.41 H new ATOM 0 HD2 ARG A 16 11.909 0.826 -10.082 1.00 22.31 H new ATOM 0 HD3 ARG A 16 12.668 -0.360 -11.125 1.00 22.31 H new ATOM 0 HE ARG A 16 13.353 2.461 -11.684 1.00 61.31 H new ATOM 0 HH11 ARG A 16 14.222 -0.558 -10.147 1.00 71.11 H new ATOM 0 HH12 ARG A 16 15.916 -0.088 -9.972 1.00 71.11 H new ATOM 0 HH21 ARG A 16 15.475 3.016 -11.446 1.00 5.32 H new ATOM 0 HH22 ARG A 16 16.609 1.890 -10.691 1.00 5.32 H new ATOM 264 N LYS A 17 7.957 2.463 -11.335 1.00 61.42 N ATOM 265 CA LYS A 17 7.553 3.866 -11.440 1.00 21.34 C ATOM 266 C LYS A 17 7.165 4.435 -10.066 1.00 4.54 C ATOM 267 O LYS A 17 7.331 5.626 -9.810 1.00 61.40 O ATOM 268 CB LYS A 17 6.381 4.014 -12.426 1.00 23.41 C ATOM 269 CG LYS A 17 6.626 3.368 -13.787 1.00 3.31 C ATOM 270 CD LYS A 17 7.876 3.920 -14.469 1.00 0.01 C ATOM 271 CE LYS A 17 7.756 5.406 -14.793 1.00 22.23 C ATOM 272 NZ LYS A 17 8.972 5.924 -15.476 1.00 71.32 N ATOM 0 H LYS A 17 7.387 1.821 -11.886 1.00 61.42 H new ATOM 0 HA LYS A 17 8.405 4.434 -11.815 1.00 21.34 H new ATOM 0 HB2 LYS A 17 5.489 3.573 -11.982 1.00 23.41 H new ATOM 0 HB3 LYS A 17 6.174 5.074 -12.571 1.00 23.41 H new ATOM 0 HG2 LYS A 17 6.728 2.290 -13.663 1.00 3.31 H new ATOM 0 HG3 LYS A 17 5.760 3.535 -14.428 1.00 3.31 H new ATOM 0 HD2 LYS A 17 8.739 3.761 -13.823 1.00 0.01 H new ATOM 0 HD3 LYS A 17 8.060 3.364 -15.389 1.00 0.01 H new ATOM 0 HE2 LYS A 17 6.885 5.570 -15.428 1.00 22.23 H new ATOM 0 HE3 LYS A 17 7.590 5.966 -13.873 1.00 22.23 H new ATOM 0 HZ1 LYS A 17 8.851 6.937 -15.679 1.00 71.32 H new ATOM 0 HZ2 LYS A 17 9.799 5.791 -14.860 1.00 71.32 H new ATOM 0 HZ3 LYS A 17 9.117 5.407 -16.367 1.00 71.32 H new ATOM 286 N PHE A 18 6.650 3.573 -9.188 1.00 2.23 N ATOM 287 CA PHE A 18 6.294 3.977 -7.822 1.00 70.51 C ATOM 288 C PHE A 18 7.552 4.149 -6.955 1.00 35.14 C ATOM 289 O PHE A 18 7.664 5.104 -6.184 1.00 31.41 O ATOM 290 CB PHE A 18 5.360 2.942 -7.175 1.00 15.22 C ATOM 291 CG PHE A 18 4.108 2.644 -7.969 1.00 65.11 C ATOM 292 CD1 PHE A 18 3.414 3.656 -8.620 1.00 43.02 C ATOM 293 CD2 PHE A 18 3.616 1.348 -8.050 1.00 31.11 C ATOM 294 CE1 PHE A 18 2.264 3.379 -9.334 1.00 54.52 C ATOM 295 CE2 PHE A 18 2.468 1.068 -8.765 1.00 14.34 C ATOM 296 CZ PHE A 18 1.791 2.084 -9.407 1.00 32.45 C ATOM 0 H PHE A 18 6.469 2.591 -9.396 1.00 2.23 H new ATOM 0 HA PHE A 18 5.776 4.934 -7.884 1.00 70.51 H new ATOM 0 HB2 PHE A 18 5.912 2.014 -7.030 1.00 15.22 H new ATOM 0 HB3 PHE A 18 5.072 3.299 -6.186 1.00 15.22 H new ATOM 0 HD1 PHE A 18 3.778 4.672 -8.567 1.00 43.02 H new ATOM 0 HD2 PHE A 18 4.138 0.548 -7.547 1.00 31.11 H new ATOM 0 HE1 PHE A 18 1.735 4.176 -9.835 1.00 54.52 H new ATOM 0 HE2 PHE A 18 2.101 0.054 -8.821 1.00 14.34 H new ATOM 0 HZ PHE A 18 0.893 1.867 -9.966 1.00 32.45 H new ATOM 306 N LYS A 19 8.502 3.225 -7.092 1.00 2.12 N ATOM 307 CA LYS A 19 9.745 3.272 -6.314 1.00 11.25 C ATOM 308 C LYS A 19 10.570 4.528 -6.653 1.00 45.24 C ATOM 309 O LYS A 19 11.113 5.185 -5.760 1.00 5.40 O ATOM 310 CB LYS A 19 10.584 2.006 -6.550 1.00 1.11 C ATOM 311 CG LYS A 19 9.834 0.704 -6.258 1.00 45.14 C ATOM 312 CD LYS A 19 10.772 -0.505 -6.182 1.00 31.03 C ATOM 313 CE LYS A 19 11.540 -0.741 -7.482 1.00 14.21 C ATOM 314 NZ LYS A 19 12.452 -1.914 -7.380 1.00 21.03 N ATOM 0 H LYS A 19 8.437 2.434 -7.733 1.00 2.12 H new ATOM 0 HA LYS A 19 9.472 3.319 -5.260 1.00 11.25 H new ATOM 0 HB2 LYS A 19 10.923 1.994 -7.586 1.00 1.11 H new ATOM 0 HB3 LYS A 19 11.475 2.050 -5.923 1.00 1.11 H new ATOM 0 HG2 LYS A 19 9.295 0.802 -5.316 1.00 45.14 H new ATOM 0 HG3 LYS A 19 9.089 0.534 -7.036 1.00 45.14 H new ATOM 0 HD2 LYS A 19 11.482 -0.358 -5.368 1.00 31.03 H new ATOM 0 HD3 LYS A 19 10.191 -1.395 -5.942 1.00 31.03 H new ATOM 0 HE2 LYS A 19 10.834 -0.899 -8.298 1.00 14.21 H new ATOM 0 HE3 LYS A 19 12.119 0.149 -7.729 1.00 14.21 H new ATOM 0 HZ1 LYS A 19 13.029 -1.981 -8.243 1.00 21.03 H new ATOM 0 HZ2 LYS A 19 13.075 -1.799 -6.555 1.00 21.03 H new ATOM 0 HZ3 LYS A 19 11.890 -2.782 -7.271 1.00 21.03 H new ATOM 328 N ASP A 20 10.650 4.858 -7.946 1.00 21.43 N ATOM 329 CA ASP A 20 11.329 6.080 -8.405 1.00 44.21 C ATOM 330 C ASP A 20 10.712 7.347 -7.781 1.00 21.31 C ATOM 331 O ASP A 20 11.381 8.372 -7.626 1.00 14.23 O ATOM 332 CB ASP A 20 11.285 6.165 -9.939 1.00 1.40 C ATOM 333 CG ASP A 20 12.339 5.292 -10.597 1.00 54.12 C ATOM 334 OD1 ASP A 20 13.481 5.770 -10.768 1.00 73.32 O ATOM 335 OD2 ASP A 20 12.041 4.131 -10.943 1.00 64.10 O ATOM 0 H ASP A 20 10.252 4.295 -8.698 1.00 21.43 H new ATOM 0 HA ASP A 20 12.367 6.025 -8.077 1.00 44.21 H new ATOM 0 HB2 ASP A 20 10.298 5.864 -10.289 1.00 1.40 H new ATOM 0 HB3 ASP A 20 11.430 7.200 -10.247 1.00 1.40 H new ATOM 340 N ILE A 21 9.435 7.269 -7.427 1.00 20.33 N ATOM 341 CA ILE A 21 8.745 8.375 -6.764 1.00 44.31 C ATOM 342 C ILE A 21 9.035 8.384 -5.251 1.00 23.54 C ATOM 343 O ILE A 21 9.513 9.380 -4.704 1.00 50.03 O ATOM 344 CB ILE A 21 7.216 8.289 -7.006 1.00 65.54 C ATOM 345 CG1 ILE A 21 6.908 8.354 -8.513 1.00 54.32 C ATOM 346 CG2 ILE A 21 6.486 9.403 -6.261 1.00 41.32 C ATOM 347 CD1 ILE A 21 5.454 8.107 -8.856 1.00 13.50 C ATOM 0 H ILE A 21 8.852 6.448 -7.588 1.00 20.33 H new ATOM 0 HA ILE A 21 9.121 9.304 -7.193 1.00 44.31 H new ATOM 0 HB ILE A 21 6.861 7.334 -6.620 1.00 65.54 H new ATOM 0 HG12 ILE A 21 7.198 9.334 -8.891 1.00 54.32 H new ATOM 0 HG13 ILE A 21 7.523 7.618 -9.031 1.00 54.32 H new ATOM 0 HG21 ILE A 21 5.415 9.323 -6.445 1.00 41.32 H new ATOM 0 HG22 ILE A 21 6.678 9.312 -5.192 1.00 41.32 H new ATOM 0 HG23 ILE A 21 6.843 10.371 -6.613 1.00 41.32 H new ATOM 0 HD11 ILE A 21 5.319 8.170 -9.936 1.00 13.50 H new ATOM 0 HD12 ILE A 21 5.162 7.115 -8.511 1.00 13.50 H new ATOM 0 HD13 ILE A 21 4.832 8.858 -8.368 1.00 13.50 H new ATOM 359 N ILE A 22 8.759 7.261 -4.588 1.00 61.31 N ATOM 360 CA ILE A 22 8.950 7.134 -3.135 1.00 3.35 C ATOM 361 C ILE A 22 10.383 7.502 -2.704 1.00 41.51 C ATOM 362 O ILE A 22 10.581 8.316 -1.797 1.00 60.10 O ATOM 363 CB ILE A 22 8.621 5.698 -2.653 1.00 43.15 C ATOM 364 CG1 ILE A 22 7.154 5.346 -2.968 1.00 21.23 C ATOM 365 CG2 ILE A 22 8.907 5.552 -1.157 1.00 33.31 C ATOM 366 CD1 ILE A 22 6.768 3.927 -2.599 1.00 64.45 C ATOM 0 H ILE A 22 8.399 6.417 -5.035 1.00 61.31 H new ATOM 0 HA ILE A 22 8.261 7.839 -2.670 1.00 3.35 H new ATOM 0 HB ILE A 22 9.262 4.999 -3.190 1.00 43.15 H new ATOM 0 HG12 ILE A 22 6.502 6.039 -2.436 1.00 21.23 H new ATOM 0 HG13 ILE A 22 6.976 5.495 -4.033 1.00 21.23 H new ATOM 0 HG21 ILE A 22 8.670 4.537 -0.839 1.00 33.31 H new ATOM 0 HG22 ILE A 22 9.961 5.755 -0.967 1.00 33.31 H new ATOM 0 HG23 ILE A 22 8.295 6.260 -0.599 1.00 33.31 H new ATOM 0 HD11 ILE A 22 5.721 3.757 -2.851 1.00 64.45 H new ATOM 0 HD12 ILE A 22 7.393 3.225 -3.151 1.00 64.45 H new ATOM 0 HD13 ILE A 22 6.912 3.777 -1.529 1.00 64.45 H new ATOM 378 N LYS A 23 11.378 6.905 -3.359 1.00 23.31 N ATOM 379 CA LYS A 23 12.784 7.220 -3.076 1.00 75.52 C ATOM 380 C LYS A 23 13.056 8.725 -3.243 1.00 33.03 C ATOM 381 O LYS A 23 13.753 9.340 -2.434 1.00 13.35 O ATOM 382 CB LYS A 23 13.711 6.424 -4.008 1.00 40.31 C ATOM 383 CG LYS A 23 13.678 4.913 -3.783 1.00 72.50 C ATOM 384 CD LYS A 23 14.485 4.161 -4.844 1.00 11.31 C ATOM 385 CE LYS A 23 14.516 2.657 -4.582 1.00 22.13 C ATOM 386 NZ LYS A 23 15.286 2.316 -3.354 1.00 52.13 N ATOM 0 H LYS A 23 11.241 6.203 -4.087 1.00 23.31 H new ATOM 0 HA LYS A 23 12.986 6.940 -2.042 1.00 75.52 H new ATOM 0 HB2 LYS A 23 13.434 6.632 -5.042 1.00 40.31 H new ATOM 0 HB3 LYS A 23 14.733 6.778 -3.874 1.00 40.31 H new ATOM 0 HG2 LYS A 23 14.076 4.684 -2.794 1.00 72.50 H new ATOM 0 HG3 LYS A 23 12.645 4.566 -3.799 1.00 72.50 H new ATOM 0 HD2 LYS A 23 14.054 4.349 -5.827 1.00 11.31 H new ATOM 0 HD3 LYS A 23 15.504 4.546 -4.864 1.00 11.31 H new ATOM 0 HE2 LYS A 23 13.496 2.286 -4.484 1.00 22.13 H new ATOM 0 HE3 LYS A 23 14.959 2.150 -5.439 1.00 22.13 H new ATOM 0 HZ1 LYS A 23 15.411 1.285 -3.298 1.00 52.13 H new ATOM 0 HZ2 LYS A 23 16.218 2.776 -3.390 1.00 52.13 H new ATOM 0 HZ3 LYS A 23 14.768 2.648 -2.516 1.00 52.13 H new ATOM 400 N LYS A 24 12.474 9.306 -4.290 1.00 52.53 N ATOM 401 CA LYS A 24 12.681 10.717 -4.630 1.00 75.44 C ATOM 402 C LYS A 24 12.030 11.661 -3.599 1.00 4.01 C ATOM 403 O LYS A 24 12.446 12.811 -3.442 1.00 42.45 O ATOM 404 CB LYS A 24 12.119 10.979 -6.034 1.00 62.40 C ATOM 405 CG LYS A 24 12.471 12.346 -6.617 1.00 51.21 C ATOM 406 CD LYS A 24 11.997 12.491 -8.066 1.00 34.23 C ATOM 407 CE LYS A 24 12.864 11.708 -9.059 1.00 31.11 C ATOM 408 NZ LYS A 24 12.904 10.248 -8.775 1.00 30.22 N ATOM 0 H LYS A 24 11.846 8.815 -4.927 1.00 52.53 H new ATOM 0 HA LYS A 24 13.751 10.924 -4.614 1.00 75.44 H new ATOM 0 HB2 LYS A 24 12.487 10.206 -6.708 1.00 62.40 H new ATOM 0 HB3 LYS A 24 11.034 10.882 -6.000 1.00 62.40 H new ATOM 0 HG2 LYS A 24 12.018 13.128 -6.007 1.00 51.21 H new ATOM 0 HG3 LYS A 24 13.550 12.492 -6.572 1.00 51.21 H new ATOM 0 HD2 LYS A 24 10.966 12.146 -8.142 1.00 34.23 H new ATOM 0 HD3 LYS A 24 12.002 13.546 -8.341 1.00 34.23 H new ATOM 0 HE2 LYS A 24 12.482 11.865 -10.068 1.00 31.11 H new ATOM 0 HE3 LYS A 24 13.879 12.104 -9.037 1.00 31.11 H new ATOM 0 HZ1 LYS A 24 13.153 9.732 -9.643 1.00 30.22 H new ATOM 0 HZ2 LYS A 24 13.617 10.056 -8.042 1.00 30.22 H new ATOM 0 HZ3 LYS A 24 11.971 9.934 -8.441 1.00 30.22 H new ATOM 422 N ASN A 25 11.008 11.171 -2.900 1.00 55.31 N ATOM 423 CA ASN A 25 10.333 11.958 -1.858 1.00 42.14 C ATOM 424 C ASN A 25 11.027 11.829 -0.488 1.00 21.45 C ATOM 425 O ASN A 25 10.580 12.415 0.503 1.00 13.00 O ATOM 426 CB ASN A 25 8.869 11.526 -1.754 1.00 12.03 C ATOM 427 CG ASN A 25 8.126 11.721 -3.063 1.00 74.15 C ATOM 428 OD1 ASN A 25 8.454 12.600 -3.854 1.00 11.21 O ATOM 429 ND2 ASN A 25 7.123 10.905 -3.307 1.00 24.33 N ATOM 0 H ASN A 25 10.626 10.234 -3.033 1.00 55.31 H new ATOM 0 HA ASN A 25 10.388 13.008 -2.147 1.00 42.14 H new ATOM 0 HB2 ASN A 25 8.820 10.477 -1.462 1.00 12.03 H new ATOM 0 HB3 ASN A 25 8.377 12.099 -0.968 1.00 12.03 H new ATOM 0 HD21 ASN A 25 6.593 10.993 -4.174 1.00 24.33 H new ATOM 0 HD22 ASN A 25 6.875 10.184 -2.629 1.00 24.33 H new ATOM 436 N GLY A 26 12.116 11.060 -0.437 1.00 45.34 N ATOM 437 CA GLY A 26 12.894 10.926 0.794 1.00 23.22 C ATOM 438 C GLY A 26 12.368 9.847 1.741 1.00 52.34 C ATOM 439 O GLY A 26 12.344 10.037 2.959 1.00 51.42 O ATOM 0 H GLY A 26 12.476 10.525 -1.227 1.00 45.34 H new ATOM 0 HA2 GLY A 26 13.928 10.698 0.536 1.00 23.22 H new ATOM 0 HA3 GLY A 26 12.899 11.883 1.316 1.00 23.22 H new ATOM 443 N PHE A 27 11.949 8.713 1.185 1.00 14.15 N ATOM 444 CA PHE A 27 11.475 7.578 1.991 1.00 20.10 C ATOM 445 C PHE A 27 12.119 6.262 1.537 1.00 71.03 C ATOM 446 O PHE A 27 12.657 6.166 0.430 1.00 61.34 O ATOM 447 CB PHE A 27 9.945 7.464 1.909 1.00 64.31 C ATOM 448 CG PHE A 27 9.215 8.623 2.545 1.00 65.53 C ATOM 449 CD1 PHE A 27 8.937 8.621 3.904 1.00 41.22 C ATOM 450 CD2 PHE A 27 8.811 9.711 1.783 1.00 35.04 C ATOM 451 CE1 PHE A 27 8.272 9.681 4.491 1.00 4.23 C ATOM 452 CE2 PHE A 27 8.144 10.772 2.366 1.00 20.22 C ATOM 453 CZ PHE A 27 7.874 10.757 3.721 1.00 70.33 C ATOM 0 H PHE A 27 11.926 8.550 0.178 1.00 14.15 H new ATOM 0 HA PHE A 27 11.767 7.763 3.025 1.00 20.10 H new ATOM 0 HB2 PHE A 27 9.651 7.391 0.862 1.00 64.31 H new ATOM 0 HB3 PHE A 27 9.632 6.539 2.393 1.00 64.31 H new ATOM 0 HD1 PHE A 27 9.244 7.782 4.510 1.00 41.22 H new ATOM 0 HD2 PHE A 27 9.020 9.729 0.724 1.00 35.04 H new ATOM 0 HE1 PHE A 27 8.064 9.668 5.551 1.00 4.23 H new ATOM 0 HE2 PHE A 27 7.834 11.612 1.763 1.00 20.22 H new ATOM 0 HZ PHE A 27 7.353 11.585 4.178 1.00 70.33 H new ATOM 463 N LYS A 28 12.073 5.255 2.405 1.00 75.33 N ATOM 464 CA LYS A 28 12.617 3.927 2.090 1.00 24.42 C ATOM 465 C LYS A 28 11.543 3.030 1.452 1.00 5.44 C ATOM 466 O LYS A 28 10.419 2.946 1.949 1.00 42.43 O ATOM 467 CB LYS A 28 13.160 3.269 3.367 1.00 52.41 C ATOM 468 CG LYS A 28 14.174 4.129 4.115 1.00 42.14 C ATOM 469 CD LYS A 28 14.656 3.458 5.400 1.00 53.32 C ATOM 470 CE LYS A 28 15.589 4.365 6.197 1.00 34.20 C ATOM 471 NZ LYS A 28 16.779 4.774 5.407 1.00 24.42 N ATOM 0 H LYS A 28 11.664 5.329 3.337 1.00 75.33 H new ATOM 0 HA LYS A 28 13.429 4.050 1.373 1.00 24.42 H new ATOM 0 HB2 LYS A 28 12.326 3.044 4.032 1.00 52.41 H new ATOM 0 HB3 LYS A 28 13.625 2.318 3.106 1.00 52.41 H new ATOM 0 HG2 LYS A 28 15.028 4.328 3.468 1.00 42.14 H new ATOM 0 HG3 LYS A 28 13.725 5.093 4.356 1.00 42.14 H new ATOM 0 HD2 LYS A 28 13.797 3.190 6.015 1.00 53.32 H new ATOM 0 HD3 LYS A 28 15.173 2.531 5.154 1.00 53.32 H new ATOM 0 HE2 LYS A 28 15.044 5.253 6.518 1.00 34.20 H new ATOM 0 HE3 LYS A 28 15.914 3.847 7.100 1.00 34.20 H new ATOM 0 HZ1 LYS A 28 17.458 5.259 6.028 1.00 24.42 H new ATOM 0 HZ2 LYS A 28 17.228 3.932 4.995 1.00 24.42 H new ATOM 0 HZ3 LYS A 28 16.485 5.418 4.645 1.00 24.42 H new ATOM 485 N VAL A 29 11.889 2.361 0.355 1.00 32.54 N ATOM 486 CA VAL A 29 10.946 1.473 -0.338 1.00 52.12 C ATOM 487 C VAL A 29 11.133 0.009 0.089 1.00 70.43 C ATOM 488 O VAL A 29 12.194 -0.580 -0.133 1.00 3.52 O ATOM 489 CB VAL A 29 11.103 1.555 -1.878 1.00 1.52 C ATOM 490 CG1 VAL A 29 10.062 0.679 -2.575 1.00 12.13 C ATOM 491 CG2 VAL A 29 11.012 2.998 -2.360 1.00 42.11 C ATOM 0 H VAL A 29 12.812 2.413 -0.076 1.00 32.54 H new ATOM 0 HA VAL A 29 9.949 1.813 -0.057 1.00 52.12 H new ATOM 0 HB VAL A 29 12.092 1.178 -2.138 1.00 1.52 H new ATOM 0 HG11 VAL A 29 10.190 0.751 -3.655 1.00 12.13 H new ATOM 0 HG12 VAL A 29 10.191 -0.357 -2.263 1.00 12.13 H new ATOM 0 HG13 VAL A 29 9.062 1.018 -2.305 1.00 12.13 H new ATOM 0 HG21 VAL A 29 11.125 3.027 -3.444 1.00 42.11 H new ATOM 0 HG22 VAL A 29 10.042 3.413 -2.085 1.00 42.11 H new ATOM 0 HG23 VAL A 29 11.803 3.587 -1.896 1.00 42.11 H new ATOM 501 N ARG A 30 10.097 -0.575 0.688 1.00 31.53 N ATOM 502 CA ARG A 30 10.136 -1.983 1.105 1.00 71.12 C ATOM 503 C ARG A 30 9.056 -2.815 0.392 1.00 62.01 C ATOM 504 O ARG A 30 7.866 -2.654 0.651 1.00 21.32 O ATOM 505 CB ARG A 30 9.958 -2.087 2.625 1.00 20.21 C ATOM 506 CG ARG A 30 9.961 -3.522 3.144 1.00 54.54 C ATOM 507 CD ARG A 30 9.943 -3.579 4.666 1.00 11.14 C ATOM 508 NE ARG A 30 9.765 -4.947 5.154 1.00 72.35 N ATOM 509 CZ ARG A 30 10.721 -5.687 5.645 1.00 51.41 C ATOM 510 NH1 ARG A 30 11.933 -5.241 5.717 1.00 30.34 N ATOM 511 NH2 ARG A 30 10.456 -6.877 6.076 1.00 24.55 N ATOM 0 H ARG A 30 9.219 -0.099 0.897 1.00 31.53 H new ATOM 0 HA ARG A 30 11.109 -2.386 0.824 1.00 71.12 H new ATOM 0 HB2 ARG A 30 10.757 -1.531 3.115 1.00 20.21 H new ATOM 0 HB3 ARG A 30 9.019 -1.610 2.906 1.00 20.21 H new ATOM 0 HG2 ARG A 30 9.093 -4.051 2.751 1.00 54.54 H new ATOM 0 HG3 ARG A 30 10.845 -4.040 2.772 1.00 54.54 H new ATOM 0 HD2 ARG A 30 10.876 -3.172 5.057 1.00 11.14 H new ATOM 0 HD3 ARG A 30 9.137 -2.950 5.044 1.00 11.14 H new ATOM 0 HE ARG A 30 8.829 -5.350 5.107 1.00 72.35 H new ATOM 0 HH11 ARG A 30 12.151 -4.300 5.388 1.00 30.34 H new ATOM 0 HH12 ARG A 30 12.671 -5.830 6.103 1.00 30.34 H new ATOM 0 HH21 ARG A 30 9.502 -7.235 6.032 1.00 24.55 H new ATOM 0 HH22 ARG A 30 11.201 -7.458 6.460 1.00 24.55 H new ATOM 525 N THR A 31 9.482 -3.705 -0.501 1.00 5.54 N ATOM 526 CA THR A 31 8.557 -4.573 -1.249 1.00 72.35 C ATOM 527 C THR A 31 8.233 -5.863 -0.478 1.00 33.12 C ATOM 528 O THR A 31 9.107 -6.460 0.157 1.00 65.33 O ATOM 529 CB THR A 31 9.136 -4.954 -2.634 1.00 32.45 C ATOM 530 OG1 THR A 31 10.364 -5.690 -2.483 1.00 42.02 O ATOM 531 CG2 THR A 31 9.390 -3.711 -3.480 1.00 11.01 C ATOM 0 H THR A 31 10.466 -3.849 -0.730 1.00 5.54 H new ATOM 0 HA THR A 31 7.640 -3.999 -1.382 1.00 72.35 H new ATOM 0 HB THR A 31 8.401 -5.580 -3.140 1.00 32.45 H new ATOM 0 HG1 THR A 31 10.716 -5.924 -3.367 1.00 42.02 H new ATOM 0 HG21 THR A 31 9.796 -4.006 -4.447 1.00 11.01 H new ATOM 0 HG22 THR A 31 8.453 -3.174 -3.628 1.00 11.01 H new ATOM 0 HG23 THR A 31 10.102 -3.063 -2.970 1.00 11.01 H new ATOM 539 N VAL A 32 6.968 -6.283 -0.534 1.00 21.53 N ATOM 540 CA VAL A 32 6.512 -7.512 0.137 1.00 72.34 C ATOM 541 C VAL A 32 5.692 -8.400 -0.818 1.00 62.23 C ATOM 542 O VAL A 32 4.828 -7.906 -1.543 1.00 44.44 O ATOM 543 CB VAL A 32 5.651 -7.178 1.388 1.00 23.15 C ATOM 544 CG1 VAL A 32 5.076 -8.445 2.022 1.00 11.31 C ATOM 545 CG2 VAL A 32 6.464 -6.385 2.411 1.00 32.03 C ATOM 0 H VAL A 32 6.233 -5.789 -1.040 1.00 21.53 H new ATOM 0 HA VAL A 32 7.404 -8.055 0.448 1.00 72.34 H new ATOM 0 HB VAL A 32 4.815 -6.560 1.059 1.00 23.15 H new ATOM 0 HG11 VAL A 32 4.479 -8.177 2.894 1.00 11.31 H new ATOM 0 HG12 VAL A 32 4.447 -8.962 1.297 1.00 11.31 H new ATOM 0 HG13 VAL A 32 5.891 -9.101 2.328 1.00 11.31 H new ATOM 0 HG21 VAL A 32 5.841 -6.163 3.277 1.00 32.03 H new ATOM 0 HG22 VAL A 32 7.326 -6.973 2.725 1.00 32.03 H new ATOM 0 HG23 VAL A 32 6.805 -5.453 1.961 1.00 32.03 H new ATOM 555 N ARG A 33 5.970 -9.710 -0.812 1.00 64.33 N ATOM 556 CA ARG A 33 5.238 -10.670 -1.660 1.00 0.21 C ATOM 557 C ARG A 33 4.475 -11.713 -0.821 1.00 45.01 C ATOM 558 O ARG A 33 3.515 -12.322 -1.294 1.00 0.43 O ATOM 559 CB ARG A 33 6.203 -11.395 -2.616 1.00 34.40 C ATOM 560 CG ARG A 33 7.263 -12.235 -1.904 1.00 22.12 C ATOM 561 CD ARG A 33 8.097 -13.060 -2.878 1.00 5.51 C ATOM 562 NE ARG A 33 7.278 -14.000 -3.643 1.00 71.11 N ATOM 563 CZ ARG A 33 7.745 -15.050 -4.265 1.00 72.01 C ATOM 564 NH1 ARG A 33 8.995 -15.369 -4.178 1.00 2.11 N ATOM 565 NH2 ARG A 33 6.945 -15.793 -4.955 1.00 50.21 N ATOM 0 H ARG A 33 6.695 -10.133 -0.232 1.00 64.33 H new ATOM 0 HA ARG A 33 4.513 -10.096 -2.236 1.00 0.21 H new ATOM 0 HB2 ARG A 33 5.626 -12.040 -3.279 1.00 34.40 H new ATOM 0 HB3 ARG A 33 6.700 -10.656 -3.244 1.00 34.40 H new ATOM 0 HG2 ARG A 33 7.919 -11.579 -1.332 1.00 22.12 H new ATOM 0 HG3 ARG A 33 6.777 -12.901 -1.191 1.00 22.12 H new ATOM 0 HD2 ARG A 33 8.619 -12.392 -3.564 1.00 5.51 H new ATOM 0 HD3 ARG A 33 8.860 -13.610 -2.326 1.00 5.51 H new ATOM 0 HE ARG A 33 6.275 -13.824 -3.694 1.00 71.11 H new ATOM 0 HH11 ARG A 33 9.629 -14.798 -3.619 1.00 2.11 H new ATOM 0 HH12 ARG A 33 9.347 -16.191 -4.668 1.00 2.11 H new ATOM 0 HH21 ARG A 33 5.954 -15.559 -5.012 1.00 50.21 H new ATOM 0 HH22 ARG A 33 7.304 -16.614 -5.442 1.00 50.21 H new ATOM 579 N SER A 34 4.912 -11.916 0.421 1.00 52.14 N ATOM 580 CA SER A 34 4.325 -12.930 1.310 1.00 43.23 C ATOM 581 C SER A 34 4.134 -12.375 2.731 1.00 35.23 C ATOM 582 O SER A 34 4.769 -11.389 3.110 1.00 20.21 O ATOM 583 CB SER A 34 5.232 -14.169 1.365 1.00 32.31 C ATOM 584 OG SER A 34 5.478 -14.691 0.068 1.00 52.51 O ATOM 0 H SER A 34 5.677 -11.389 0.842 1.00 52.14 H new ATOM 0 HA SER A 34 3.349 -13.205 0.909 1.00 43.23 H new ATOM 0 HB2 SER A 34 6.178 -13.908 1.839 1.00 32.31 H new ATOM 0 HB3 SER A 34 4.766 -14.935 1.985 1.00 32.31 H new ATOM 0 HG SER A 34 6.059 -15.477 0.137 1.00 52.51 H new ATOM 590 N PRO A 35 3.263 -13.004 3.552 1.00 64.23 N ATOM 591 CA PRO A 35 3.026 -12.559 4.939 1.00 51.11 C ATOM 592 C PRO A 35 4.303 -12.592 5.802 1.00 41.12 C ATOM 593 O PRO A 35 4.379 -11.933 6.843 1.00 2.01 O ATOM 594 CB PRO A 35 1.973 -13.550 5.469 1.00 50.04 C ATOM 595 CG PRO A 35 2.033 -14.724 4.546 1.00 21.14 C ATOM 596 CD PRO A 35 2.438 -14.178 3.204 1.00 13.32 C ATOM 0 HA PRO A 35 2.698 -11.520 4.978 1.00 51.11 H new ATOM 0 HB2 PRO A 35 2.193 -13.845 6.495 1.00 50.04 H new ATOM 0 HB3 PRO A 35 0.979 -13.103 5.472 1.00 50.04 H new ATOM 0 HG2 PRO A 35 2.753 -15.462 4.900 1.00 21.14 H new ATOM 0 HG3 PRO A 35 1.066 -15.224 4.488 1.00 21.14 H new ATOM 0 HD2 PRO A 35 3.002 -14.909 2.625 1.00 13.32 H new ATOM 0 HD3 PRO A 35 1.571 -13.898 2.605 1.00 13.32 H new ATOM 604 N GLN A 36 5.304 -13.356 5.357 1.00 71.11 N ATOM 605 CA GLN A 36 6.601 -13.428 6.041 1.00 4.15 C ATOM 606 C GLN A 36 7.283 -12.051 6.110 1.00 65.23 C ATOM 607 O GLN A 36 7.567 -11.551 7.200 1.00 64.30 O ATOM 608 CB GLN A 36 7.517 -14.434 5.325 1.00 73.35 C ATOM 609 CG GLN A 36 8.941 -14.494 5.877 1.00 25.05 C ATOM 610 CD GLN A 36 9.003 -14.911 7.338 1.00 63.51 C ATOM 611 OE1 GLN A 36 8.163 -15.663 7.821 1.00 75.44 O ATOM 612 NE2 GLN A 36 9.996 -14.424 8.054 1.00 4.23 N ATOM 0 H GLN A 36 5.242 -13.937 4.521 1.00 71.11 H new ATOM 0 HA GLN A 36 6.422 -13.762 7.063 1.00 4.15 H new ATOM 0 HB2 GLN A 36 7.071 -15.426 5.394 1.00 73.35 H new ATOM 0 HB3 GLN A 36 7.561 -14.178 4.267 1.00 73.35 H new ATOM 0 HG2 GLN A 36 9.525 -15.195 5.281 1.00 25.05 H new ATOM 0 HG3 GLN A 36 9.408 -13.515 5.766 1.00 25.05 H new ATOM 0 HE21 GLN A 36 10.678 -13.801 7.622 1.00 4.23 H new ATOM 0 HE22 GLN A 36 10.082 -14.670 9.040 1.00 4.23 H new ATOM 621 N GLU A 37 7.538 -11.435 4.951 1.00 0.34 N ATOM 622 CA GLU A 37 8.188 -10.113 4.910 1.00 51.52 C ATOM 623 C GLU A 37 7.330 -9.056 5.620 1.00 34.23 C ATOM 624 O GLU A 37 7.857 -8.110 6.208 1.00 22.21 O ATOM 625 CB GLU A 37 8.470 -9.651 3.468 1.00 32.33 C ATOM 626 CG GLU A 37 9.223 -10.661 2.606 1.00 11.31 C ATOM 627 CD GLU A 37 8.300 -11.703 2.001 1.00 70.32 C ATOM 628 OE1 GLU A 37 7.546 -11.348 1.075 1.00 2.42 O ATOM 629 OE2 GLU A 37 8.305 -12.862 2.467 1.00 41.32 O ATOM 0 H GLU A 37 7.309 -11.822 4.036 1.00 0.34 H new ATOM 0 HA GLU A 37 9.140 -10.219 5.430 1.00 51.52 H new ATOM 0 HB2 GLU A 37 7.521 -9.418 2.984 1.00 32.33 H new ATOM 0 HB3 GLU A 37 9.045 -8.726 3.504 1.00 32.33 H new ATOM 0 HG2 GLU A 37 9.747 -10.135 1.808 1.00 11.31 H new ATOM 0 HG3 GLU A 37 9.981 -11.158 3.211 1.00 11.31 H new ATOM 636 N LEU A 38 6.008 -9.223 5.554 1.00 72.34 N ATOM 637 CA LEU A 38 5.073 -8.327 6.248 1.00 12.44 C ATOM 638 C LEU A 38 5.291 -8.382 7.770 1.00 43.10 C ATOM 639 O LEU A 38 5.462 -7.352 8.425 1.00 33.55 O ATOM 640 CB LEU A 38 3.620 -8.700 5.912 1.00 14.03 C ATOM 641 CG LEU A 38 2.548 -7.806 6.558 1.00 34.22 C ATOM 642 CD1 LEU A 38 2.683 -6.363 6.076 1.00 31.33 C ATOM 643 CD2 LEU A 38 1.150 -8.347 6.269 1.00 54.24 C ATOM 0 H LEU A 38 5.557 -9.971 5.027 1.00 72.34 H new ATOM 0 HA LEU A 38 5.264 -7.310 5.906 1.00 12.44 H new ATOM 0 HB2 LEU A 38 3.494 -8.666 4.830 1.00 14.03 H new ATOM 0 HB3 LEU A 38 3.445 -9.730 6.221 1.00 14.03 H new ATOM 0 HG LEU A 38 2.700 -7.817 7.637 1.00 34.22 H new ATOM 0 HD11 LEU A 38 1.915 -5.749 6.546 1.00 31.33 H new ATOM 0 HD12 LEU A 38 3.668 -5.980 6.344 1.00 31.33 H new ATOM 0 HD13 LEU A 38 2.563 -6.328 4.993 1.00 31.33 H new ATOM 0 HD21 LEU A 38 0.406 -7.700 6.735 1.00 54.24 H new ATOM 0 HD22 LEU A 38 0.985 -8.373 5.192 1.00 54.24 H new ATOM 0 HD23 LEU A 38 1.059 -9.355 6.674 1.00 54.24 H new ATOM 655 N LYS A 39 5.288 -9.594 8.323 1.00 72.21 N ATOM 656 CA LYS A 39 5.591 -9.803 9.744 1.00 44.42 C ATOM 657 C LYS A 39 7.007 -9.304 10.082 1.00 12.14 C ATOM 658 O LYS A 39 7.222 -8.634 11.095 1.00 74.44 O ATOM 659 CB LYS A 39 5.448 -11.296 10.086 1.00 35.22 C ATOM 660 CG LYS A 39 5.901 -11.664 11.496 1.00 74.23 C ATOM 661 CD LYS A 39 5.667 -13.142 11.803 1.00 71.14 C ATOM 662 CE LYS A 39 4.182 -13.496 11.816 1.00 32.34 C ATOM 663 NZ LYS A 39 3.952 -14.924 12.166 1.00 65.31 N ATOM 0 H LYS A 39 5.079 -10.450 7.810 1.00 72.21 H new ATOM 0 HA LYS A 39 4.884 -9.229 10.343 1.00 44.42 H new ATOM 0 HB2 LYS A 39 4.404 -11.586 9.965 1.00 35.22 H new ATOM 0 HB3 LYS A 39 6.026 -11.878 9.368 1.00 35.22 H new ATOM 0 HG2 LYS A 39 6.960 -11.433 11.609 1.00 74.23 H new ATOM 0 HG3 LYS A 39 5.363 -11.053 12.221 1.00 74.23 H new ATOM 0 HD2 LYS A 39 6.178 -13.752 11.059 1.00 71.14 H new ATOM 0 HD3 LYS A 39 6.106 -13.385 12.771 1.00 71.14 H new ATOM 0 HE2 LYS A 39 3.664 -12.859 12.533 1.00 32.34 H new ATOM 0 HE3 LYS A 39 3.751 -13.289 10.836 1.00 32.34 H new ATOM 0 HZ1 LYS A 39 2.931 -15.122 12.163 1.00 65.31 H new ATOM 0 HZ2 LYS A 39 4.425 -15.533 11.468 1.00 65.31 H new ATOM 0 HZ3 LYS A 39 4.340 -15.116 13.112 1.00 65.31 H new ATOM 677 N ASP A 40 7.960 -9.623 9.208 1.00 74.12 N ATOM 678 CA ASP A 40 9.349 -9.179 9.354 1.00 52.14 C ATOM 679 C ASP A 40 9.448 -7.636 9.349 1.00 32.05 C ATOM 680 O ASP A 40 10.342 -7.056 9.971 1.00 24.32 O ATOM 681 CB ASP A 40 10.192 -9.789 8.225 1.00 25.12 C ATOM 682 CG ASP A 40 11.652 -9.381 8.277 1.00 73.11 C ATOM 683 OD1 ASP A 40 12.344 -9.751 9.245 1.00 2.41 O ATOM 684 OD2 ASP A 40 12.116 -8.690 7.343 1.00 20.11 O ATOM 0 H ASP A 40 7.794 -10.195 8.380 1.00 74.12 H new ATOM 0 HA ASP A 40 9.733 -9.520 10.315 1.00 52.14 H new ATOM 0 HB2 ASP A 40 10.124 -10.876 8.277 1.00 25.12 H new ATOM 0 HB3 ASP A 40 9.772 -9.489 7.265 1.00 25.12 H new ATOM 689 N SER A 41 8.518 -6.982 8.646 1.00 3.01 N ATOM 690 CA SER A 41 8.444 -5.511 8.626 1.00 43.04 C ATOM 691 C SER A 41 8.155 -4.961 10.027 1.00 52.31 C ATOM 692 O SER A 41 8.853 -4.068 10.517 1.00 3.44 O ATOM 693 CB SER A 41 7.343 -5.027 7.667 1.00 70.14 C ATOM 694 OG SER A 41 7.515 -5.549 6.358 1.00 61.12 O ATOM 0 H SER A 41 7.805 -7.444 8.082 1.00 3.01 H new ATOM 0 HA SER A 41 9.411 -5.143 8.282 1.00 43.04 H new ATOM 0 HB2 SER A 41 6.368 -5.327 8.052 1.00 70.14 H new ATOM 0 HB3 SER A 41 7.349 -3.938 7.627 1.00 70.14 H new ATOM 0 HG SER A 41 7.244 -6.491 6.343 1.00 61.12 H new ATOM 700 N ILE A 42 7.122 -5.512 10.668 1.00 34.41 N ATOM 701 CA ILE A 42 6.717 -5.085 12.012 1.00 54.13 C ATOM 702 C ILE A 42 7.810 -5.389 13.049 1.00 73.52 C ATOM 703 O ILE A 42 8.068 -4.585 13.946 1.00 74.24 O ATOM 704 CB ILE A 42 5.393 -5.771 12.440 1.00 12.13 C ATOM 705 CG1 ILE A 42 4.291 -5.503 11.399 1.00 14.13 C ATOM 706 CG2 ILE A 42 4.956 -5.293 13.827 1.00 63.22 C ATOM 707 CD1 ILE A 42 2.985 -6.215 11.686 1.00 4.43 C ATOM 0 H ILE A 42 6.547 -6.258 10.277 1.00 34.41 H new ATOM 0 HA ILE A 42 6.562 -4.007 11.972 1.00 54.13 H new ATOM 0 HB ILE A 42 5.564 -6.846 12.493 1.00 12.13 H new ATOM 0 HG12 ILE A 42 4.105 -4.430 11.350 1.00 14.13 H new ATOM 0 HG13 ILE A 42 4.651 -5.809 10.417 1.00 14.13 H new ATOM 0 HG21 ILE A 42 4.026 -5.788 14.106 1.00 63.22 H new ATOM 0 HG22 ILE A 42 5.729 -5.536 14.556 1.00 63.22 H new ATOM 0 HG23 ILE A 42 4.802 -4.214 13.808 1.00 63.22 H new ATOM 0 HD11 ILE A 42 2.261 -5.975 10.907 1.00 4.43 H new ATOM 0 HD12 ILE A 42 3.154 -7.292 11.705 1.00 4.43 H new ATOM 0 HD13 ILE A 42 2.599 -5.891 12.653 1.00 4.43 H new ATOM 719 N GLU A 43 8.461 -6.546 12.906 1.00 62.10 N ATOM 720 CA GLU A 43 9.556 -6.941 13.803 1.00 13.11 C ATOM 721 C GLU A 43 10.663 -5.878 13.879 1.00 44.22 C ATOM 722 O GLU A 43 11.358 -5.780 14.886 1.00 12.02 O ATOM 723 CB GLU A 43 10.148 -8.294 13.379 1.00 54.14 C ATOM 724 CG GLU A 43 9.362 -9.497 13.892 1.00 34.12 C ATOM 725 CD GLU A 43 9.294 -9.539 15.414 1.00 11.20 C ATOM 726 OE1 GLU A 43 10.303 -9.911 16.052 1.00 64.40 O ATOM 727 OE2 GLU A 43 8.238 -9.185 15.984 1.00 21.44 O ATOM 0 H GLU A 43 8.250 -7.228 12.177 1.00 62.10 H new ATOM 0 HA GLU A 43 9.126 -7.036 14.800 1.00 13.11 H new ATOM 0 HB2 GLU A 43 10.190 -8.337 12.291 1.00 54.14 H new ATOM 0 HB3 GLU A 43 11.174 -8.361 13.741 1.00 54.14 H new ATOM 0 HG2 GLU A 43 8.351 -9.467 13.486 1.00 34.12 H new ATOM 0 HG3 GLU A 43 9.825 -10.413 13.526 1.00 34.12 H new ATOM 734 N GLU A 44 10.829 -5.093 12.817 1.00 63.05 N ATOM 735 CA GLU A 44 11.761 -3.959 12.841 1.00 51.44 C ATOM 736 C GLU A 44 11.122 -2.739 13.518 1.00 61.42 C ATOM 737 O GLU A 44 11.667 -2.182 14.471 1.00 3.14 O ATOM 738 CB GLU A 44 12.197 -3.579 11.420 1.00 44.01 C ATOM 739 CG GLU A 44 12.989 -4.658 10.696 1.00 51.31 C ATOM 740 CD GLU A 44 13.406 -4.230 9.298 1.00 12.22 C ATOM 741 OE1 GLU A 44 14.497 -3.641 9.146 1.00 62.44 O ATOM 742 OE2 GLU A 44 12.641 -4.473 8.341 1.00 41.14 O ATOM 0 H GLU A 44 10.336 -5.217 11.933 1.00 63.05 H new ATOM 0 HA GLU A 44 12.636 -4.267 13.413 1.00 51.44 H new ATOM 0 HB2 GLU A 44 11.310 -3.340 10.833 1.00 44.01 H new ATOM 0 HB3 GLU A 44 12.801 -2.673 11.468 1.00 44.01 H new ATOM 0 HG2 GLU A 44 13.877 -4.905 11.278 1.00 51.31 H new ATOM 0 HG3 GLU A 44 12.388 -5.565 10.631 1.00 51.31 H new ATOM 749 N LEU A 45 9.944 -2.353 13.027 1.00 22.32 N ATOM 750 CA LEU A 45 9.256 -1.137 13.483 1.00 25.21 C ATOM 751 C LEU A 45 8.950 -1.154 14.992 1.00 31.31 C ATOM 752 O LEU A 45 8.874 -0.101 15.627 1.00 21.41 O ATOM 753 CB LEU A 45 7.955 -0.948 12.691 1.00 42.30 C ATOM 754 CG LEU A 45 8.133 -0.807 11.168 1.00 51.32 C ATOM 755 CD1 LEU A 45 6.781 -0.658 10.474 1.00 4.13 C ATOM 756 CD2 LEU A 45 9.049 0.374 10.839 1.00 73.43 C ATOM 0 H LEU A 45 9.439 -2.869 12.306 1.00 22.32 H new ATOM 0 HA LEU A 45 9.932 -0.301 13.303 1.00 25.21 H new ATOM 0 HB2 LEU A 45 7.301 -1.798 12.888 1.00 42.30 H new ATOM 0 HB3 LEU A 45 7.445 -0.060 13.066 1.00 42.30 H new ATOM 0 HG LEU A 45 8.604 -1.716 10.794 1.00 51.32 H new ATOM 0 HD11 LEU A 45 6.933 -0.560 9.399 1.00 4.13 H new ATOM 0 HD12 LEU A 45 6.170 -1.538 10.676 1.00 4.13 H new ATOM 0 HD13 LEU A 45 6.274 0.230 10.851 1.00 4.13 H new ATOM 0 HD21 LEU A 45 9.162 0.457 9.758 1.00 73.43 H new ATOM 0 HD22 LEU A 45 8.612 1.293 11.229 1.00 73.43 H new ATOM 0 HD23 LEU A 45 10.026 0.215 11.295 1.00 73.43 H new ATOM 768 N VAL A 46 8.775 -2.346 15.562 1.00 34.35 N ATOM 769 CA VAL A 46 8.467 -2.474 16.994 1.00 53.34 C ATOM 770 C VAL A 46 9.704 -2.185 17.880 1.00 71.33 C ATOM 771 O VAL A 46 9.581 -1.989 19.091 1.00 53.14 O ATOM 772 CB VAL A 46 7.869 -3.872 17.319 1.00 45.44 C ATOM 773 CG1 VAL A 46 8.878 -4.984 17.071 1.00 4.11 C ATOM 774 CG2 VAL A 46 7.337 -3.926 18.752 1.00 63.13 C ATOM 0 H VAL A 46 8.840 -3.233 15.062 1.00 34.35 H new ATOM 0 HA VAL A 46 7.715 -1.720 17.227 1.00 53.34 H new ATOM 0 HB VAL A 46 7.030 -4.032 16.642 1.00 45.44 H new ATOM 0 HG11 VAL A 46 8.425 -5.946 17.309 1.00 4.11 H new ATOM 0 HG12 VAL A 46 9.180 -4.974 16.024 1.00 4.11 H new ATOM 0 HG13 VAL A 46 9.753 -4.829 17.702 1.00 4.11 H new ATOM 0 HG21 VAL A 46 6.925 -4.916 18.950 1.00 63.13 H new ATOM 0 HG22 VAL A 46 8.150 -3.725 19.450 1.00 63.13 H new ATOM 0 HG23 VAL A 46 6.556 -3.176 18.879 1.00 63.13 H new ATOM 784 N LYS A 47 10.897 -2.163 17.272 1.00 51.25 N ATOM 785 CA LYS A 47 12.114 -1.703 17.969 1.00 3.11 C ATOM 786 C LYS A 47 12.492 -0.281 17.522 1.00 61.42 C ATOM 787 O LYS A 47 12.832 0.573 18.347 1.00 62.24 O ATOM 788 CB LYS A 47 13.312 -2.643 17.730 1.00 74.04 C ATOM 789 CG LYS A 47 13.173 -4.027 18.362 1.00 54.10 C ATOM 790 CD LYS A 47 12.362 -4.977 17.493 1.00 62.13 C ATOM 791 CE LYS A 47 12.170 -6.339 18.152 1.00 21.31 C ATOM 792 NZ LYS A 47 11.432 -7.282 17.267 1.00 54.51 N ATOM 0 H LYS A 47 11.049 -2.455 16.307 1.00 51.25 H new ATOM 0 HA LYS A 47 11.884 -1.707 19.034 1.00 3.11 H new ATOM 0 HB2 LYS A 47 13.455 -2.762 16.656 1.00 74.04 H new ATOM 0 HB3 LYS A 47 14.212 -2.169 18.121 1.00 74.04 H new ATOM 0 HG2 LYS A 47 14.164 -4.448 18.531 1.00 54.10 H new ATOM 0 HG3 LYS A 47 12.696 -3.933 19.338 1.00 54.10 H new ATOM 0 HD2 LYS A 47 11.387 -4.535 17.286 1.00 62.13 H new ATOM 0 HD3 LYS A 47 12.863 -5.107 16.534 1.00 62.13 H new ATOM 0 HE2 LYS A 47 13.143 -6.762 18.403 1.00 21.31 H new ATOM 0 HE3 LYS A 47 11.625 -6.216 19.088 1.00 21.31 H new ATOM 0 HZ1 LYS A 47 10.495 -7.479 17.674 1.00 54.51 H new ATOM 0 HZ2 LYS A 47 11.318 -6.856 16.325 1.00 54.51 H new ATOM 0 HZ3 LYS A 47 11.967 -8.170 17.183 1.00 54.51 H new ATOM 806 N LYS A 48 12.450 -0.042 16.210 1.00 22.30 N ATOM 807 CA LYS A 48 12.757 1.278 15.638 1.00 74.10 C ATOM 808 C LYS A 48 11.810 1.617 14.475 1.00 71.43 C ATOM 809 O LYS A 48 11.833 0.968 13.428 1.00 2.15 O ATOM 810 CB LYS A 48 14.213 1.337 15.143 1.00 64.24 C ATOM 811 CG LYS A 48 15.253 1.271 16.256 1.00 71.31 C ATOM 812 CD LYS A 48 16.678 1.330 15.708 1.00 43.14 C ATOM 813 CE LYS A 48 17.715 1.375 16.825 1.00 54.11 C ATOM 814 NZ LYS A 48 17.618 0.197 17.726 1.00 15.42 N ATOM 0 H LYS A 48 12.205 -0.748 15.516 1.00 22.30 H new ATOM 0 HA LYS A 48 12.617 2.013 16.431 1.00 74.10 H new ATOM 0 HB2 LYS A 48 14.384 0.512 14.452 1.00 64.24 H new ATOM 0 HB3 LYS A 48 14.357 2.259 14.580 1.00 64.24 H new ATOM 0 HG2 LYS A 48 15.096 2.097 16.949 1.00 71.31 H new ATOM 0 HG3 LYS A 48 15.120 0.350 16.823 1.00 71.31 H new ATOM 0 HD2 LYS A 48 16.861 0.460 15.078 1.00 43.14 H new ATOM 0 HD3 LYS A 48 16.787 2.211 15.075 1.00 43.14 H new ATOM 0 HE2 LYS A 48 18.714 1.417 16.390 1.00 54.11 H new ATOM 0 HE3 LYS A 48 17.582 2.287 17.406 1.00 54.11 H new ATOM 0 HZ1 LYS A 48 18.422 0.198 18.386 1.00 15.42 H new ATOM 0 HZ2 LYS A 48 16.729 0.243 18.263 1.00 15.42 H new ATOM 0 HZ3 LYS A 48 17.635 -0.675 17.160 1.00 15.42 H new ATOM 828 N TYR A 49 10.981 2.637 14.667 1.00 55.24 N ATOM 829 CA TYR A 49 10.065 3.103 13.621 1.00 13.24 C ATOM 830 C TYR A 49 10.766 4.073 12.650 1.00 73.24 C ATOM 831 O TYR A 49 10.932 5.261 12.939 1.00 43.13 O ATOM 832 CB TYR A 49 8.808 3.745 14.248 1.00 32.10 C ATOM 833 CG TYR A 49 9.082 4.673 15.428 1.00 75.24 C ATOM 834 CD1 TYR A 49 9.251 4.163 16.714 1.00 55.23 C ATOM 835 CD2 TYR A 49 9.163 6.055 15.261 1.00 33.24 C ATOM 836 CE1 TYR A 49 9.492 4.995 17.792 1.00 41.31 C ATOM 837 CE2 TYR A 49 9.402 6.891 16.336 1.00 75.00 C ATOM 838 CZ TYR A 49 9.565 6.356 17.598 1.00 3.50 C ATOM 839 OH TYR A 49 9.800 7.190 18.669 1.00 64.23 O ATOM 0 H TYR A 49 10.921 3.162 15.540 1.00 55.24 H new ATOM 0 HA TYR A 49 9.749 2.237 13.039 1.00 13.24 H new ATOM 0 HB2 TYR A 49 8.282 4.307 13.477 1.00 32.10 H new ATOM 0 HB3 TYR A 49 8.138 2.951 14.577 1.00 32.10 H new ATOM 0 HD1 TYR A 49 9.193 3.096 16.872 1.00 55.23 H new ATOM 0 HD2 TYR A 49 9.037 6.479 14.276 1.00 33.24 H new ATOM 0 HE1 TYR A 49 9.622 4.579 18.780 1.00 41.31 H new ATOM 0 HE2 TYR A 49 9.461 7.959 16.189 1.00 75.00 H new ATOM 0 HH TYR A 49 10.339 6.719 19.338 1.00 64.23 H new ATOM 849 N ASN A 50 11.195 3.543 11.506 1.00 52.30 N ATOM 850 CA ASN A 50 11.894 4.333 10.480 1.00 52.33 C ATOM 851 C ASN A 50 10.924 4.836 9.398 1.00 71.30 C ATOM 852 O ASN A 50 9.833 4.292 9.223 1.00 31.11 O ATOM 853 CB ASN A 50 12.993 3.481 9.830 1.00 44.42 C ATOM 854 CG ASN A 50 14.041 3.011 10.826 1.00 61.30 C ATOM 855 OD1 ASN A 50 14.355 3.697 11.793 1.00 34.15 O ATOM 856 ND2 ASN A 50 14.584 1.828 10.603 1.00 70.10 N ATOM 0 H ASN A 50 11.072 2.561 11.260 1.00 52.30 H new ATOM 0 HA ASN A 50 12.337 5.201 10.968 1.00 52.33 H new ATOM 0 HB2 ASN A 50 12.538 2.614 9.351 1.00 44.42 H new ATOM 0 HB3 ASN A 50 13.479 4.060 9.045 1.00 44.42 H new ATOM 0 HD21 ASN A 50 15.286 1.460 11.245 1.00 70.10 H new ATOM 0 HD22 ASN A 50 14.301 1.282 9.789 1.00 70.10 H new ATOM 863 N ALA A 51 11.331 5.878 8.669 1.00 62.43 N ATOM 864 CA ALA A 51 10.522 6.416 7.569 1.00 12.44 C ATOM 865 C ALA A 51 10.555 5.483 6.344 1.00 22.15 C ATOM 866 O ALA A 51 11.240 5.747 5.350 1.00 33.20 O ATOM 867 CB ALA A 51 10.990 7.821 7.197 1.00 73.24 C ATOM 0 H ALA A 51 12.214 6.366 8.819 1.00 62.43 H new ATOM 0 HA ALA A 51 9.488 6.477 7.909 1.00 12.44 H new ATOM 0 HB1 ALA A 51 10.379 8.204 6.380 1.00 73.24 H new ATOM 0 HB2 ALA A 51 10.892 8.478 8.061 1.00 73.24 H new ATOM 0 HB3 ALA A 51 12.033 7.786 6.884 1.00 73.24 H new ATOM 873 N THR A 52 9.823 4.375 6.439 1.00 55.01 N ATOM 874 CA THR A 52 9.785 3.362 5.375 1.00 20.41 C ATOM 875 C THR A 52 8.361 3.149 4.852 1.00 23.34 C ATOM 876 O THR A 52 7.442 2.876 5.623 1.00 65.40 O ATOM 877 CB THR A 52 10.334 1.999 5.878 1.00 44.13 C ATOM 878 OG1 THR A 52 11.678 2.149 6.358 1.00 62.14 O ATOM 879 CG2 THR A 52 10.308 0.944 4.772 1.00 53.13 C ATOM 0 H THR A 52 9.242 4.151 7.247 1.00 55.01 H new ATOM 0 HA THR A 52 10.414 3.736 4.567 1.00 20.41 H new ATOM 0 HB THR A 52 9.689 1.666 6.691 1.00 44.13 H new ATOM 0 HG1 THR A 52 12.011 1.283 6.674 1.00 62.14 H new ATOM 0 HG21 THR A 52 10.699 0.003 5.158 1.00 53.13 H new ATOM 0 HG22 THR A 52 9.283 0.799 4.432 1.00 53.13 H new ATOM 0 HG23 THR A 52 10.924 1.277 3.937 1.00 53.13 H new ATOM 887 N ILE A 53 8.183 3.271 3.540 1.00 54.43 N ATOM 888 CA ILE A 53 6.894 2.991 2.908 1.00 3.21 C ATOM 889 C ILE A 53 6.855 1.546 2.384 1.00 33.12 C ATOM 890 O ILE A 53 7.525 1.203 1.404 1.00 63.21 O ATOM 891 CB ILE A 53 6.597 3.981 1.748 1.00 64.22 C ATOM 892 CG1 ILE A 53 6.591 5.430 2.274 1.00 43.12 C ATOM 893 CG2 ILE A 53 5.265 3.643 1.078 1.00 73.15 C ATOM 894 CD1 ILE A 53 6.197 6.467 1.238 1.00 40.53 C ATOM 0 H ILE A 53 8.915 3.562 2.892 1.00 54.43 H new ATOM 0 HA ILE A 53 6.123 3.120 3.668 1.00 3.21 H new ATOM 0 HB ILE A 53 7.384 3.887 1.000 1.00 64.22 H new ATOM 0 HG12 ILE A 53 5.903 5.496 3.117 1.00 43.12 H new ATOM 0 HG13 ILE A 53 7.584 5.671 2.653 1.00 43.12 H new ATOM 0 HG21 ILE A 53 5.076 4.348 0.269 1.00 73.15 H new ATOM 0 HG22 ILE A 53 5.307 2.631 0.675 1.00 73.15 H new ATOM 0 HG23 ILE A 53 4.462 3.709 1.812 1.00 73.15 H new ATOM 0 HD11 ILE A 53 6.218 7.459 1.690 1.00 40.53 H new ATOM 0 HD12 ILE A 53 6.898 6.433 0.404 1.00 40.53 H new ATOM 0 HD13 ILE A 53 5.191 6.255 0.875 1.00 40.53 H new ATOM 906 N VAL A 54 6.084 0.695 3.054 1.00 72.05 N ATOM 907 CA VAL A 54 6.001 -0.722 2.696 1.00 74.45 C ATOM 908 C VAL A 54 4.924 -0.981 1.626 1.00 31.33 C ATOM 909 O VAL A 54 3.741 -0.694 1.820 1.00 13.11 O ATOM 910 CB VAL A 54 5.743 -1.606 3.946 1.00 4.41 C ATOM 911 CG1 VAL A 54 4.497 -1.150 4.700 1.00 60.13 C ATOM 912 CG2 VAL A 54 5.644 -3.084 3.564 1.00 45.30 C ATOM 0 H VAL A 54 5.505 0.961 3.851 1.00 72.05 H new ATOM 0 HA VAL A 54 6.967 -0.997 2.272 1.00 74.45 H new ATOM 0 HB VAL A 54 6.596 -1.489 4.615 1.00 4.41 H new ATOM 0 HG11 VAL A 54 4.344 -1.789 5.570 1.00 60.13 H new ATOM 0 HG12 VAL A 54 4.626 -0.118 5.026 1.00 60.13 H new ATOM 0 HG13 VAL A 54 3.630 -1.217 4.043 1.00 60.13 H new ATOM 0 HG21 VAL A 54 5.463 -3.680 4.459 1.00 45.30 H new ATOM 0 HG22 VAL A 54 4.822 -3.224 2.862 1.00 45.30 H new ATOM 0 HG23 VAL A 54 6.577 -3.403 3.098 1.00 45.30 H new ATOM 922 N VAL A 55 5.354 -1.514 0.486 1.00 11.10 N ATOM 923 CA VAL A 55 4.453 -1.828 -0.622 1.00 75.14 C ATOM 924 C VAL A 55 4.182 -3.338 -0.709 1.00 10.11 C ATOM 925 O VAL A 55 5.069 -4.124 -1.055 1.00 1.31 O ATOM 926 CB VAL A 55 5.037 -1.339 -1.972 1.00 30.33 C ATOM 927 CG1 VAL A 55 4.065 -1.610 -3.118 1.00 31.33 C ATOM 928 CG2 VAL A 55 5.400 0.146 -1.904 1.00 3.11 C ATOM 0 H VAL A 55 6.332 -1.740 0.303 1.00 11.10 H new ATOM 0 HA VAL A 55 3.515 -1.308 -0.427 1.00 75.14 H new ATOM 0 HB VAL A 55 5.951 -1.901 -2.166 1.00 30.33 H new ATOM 0 HG11 VAL A 55 4.499 -1.258 -4.054 1.00 31.33 H new ATOM 0 HG12 VAL A 55 3.874 -2.681 -3.187 1.00 31.33 H new ATOM 0 HG13 VAL A 55 3.128 -1.085 -2.932 1.00 31.33 H new ATOM 0 HG21 VAL A 55 5.808 0.465 -2.863 1.00 3.11 H new ATOM 0 HG22 VAL A 55 4.507 0.729 -1.677 1.00 3.11 H new ATOM 0 HG23 VAL A 55 6.144 0.303 -1.123 1.00 3.11 H new ATOM 938 N VAL A 56 2.958 -3.736 -0.382 1.00 34.10 N ATOM 939 CA VAL A 56 2.544 -5.135 -0.486 1.00 62.41 C ATOM 940 C VAL A 56 2.006 -5.432 -1.894 1.00 70.34 C ATOM 941 O VAL A 56 0.922 -4.978 -2.270 1.00 14.15 O ATOM 942 CB VAL A 56 1.459 -5.491 0.565 1.00 12.23 C ATOM 943 CG1 VAL A 56 1.087 -6.972 0.489 1.00 63.24 C ATOM 944 CG2 VAL A 56 1.929 -5.120 1.972 1.00 52.22 C ATOM 0 H VAL A 56 2.230 -3.108 -0.041 1.00 34.10 H new ATOM 0 HA VAL A 56 3.424 -5.748 -0.293 1.00 62.41 H new ATOM 0 HB VAL A 56 0.565 -4.909 0.339 1.00 12.23 H new ATOM 0 HG11 VAL A 56 0.325 -7.195 1.236 1.00 63.24 H new ATOM 0 HG12 VAL A 56 0.699 -7.199 -0.504 1.00 63.24 H new ATOM 0 HG13 VAL A 56 1.971 -7.580 0.681 1.00 63.24 H new ATOM 0 HG21 VAL A 56 1.154 -5.377 2.694 1.00 52.22 H new ATOM 0 HG22 VAL A 56 2.841 -5.668 2.207 1.00 52.22 H new ATOM 0 HG23 VAL A 56 2.127 -4.049 2.019 1.00 52.22 H new ATOM 954 N VAL A 57 2.778 -6.181 -2.674 1.00 34.43 N ATOM 955 CA VAL A 57 2.381 -6.538 -4.035 1.00 45.03 C ATOM 956 C VAL A 57 1.423 -7.736 -4.017 1.00 5.11 C ATOM 957 O VAL A 57 1.780 -8.829 -3.571 1.00 14.52 O ATOM 958 CB VAL A 57 3.612 -6.863 -4.917 1.00 5.35 C ATOM 959 CG1 VAL A 57 3.188 -7.136 -6.360 1.00 42.02 C ATOM 960 CG2 VAL A 57 4.633 -5.726 -4.856 1.00 31.24 C ATOM 0 H VAL A 57 3.683 -6.554 -2.388 1.00 34.43 H new ATOM 0 HA VAL A 57 1.871 -5.676 -4.466 1.00 45.03 H new ATOM 0 HB VAL A 57 4.083 -7.765 -4.527 1.00 5.35 H new ATOM 0 HG11 VAL A 57 4.069 -7.362 -6.961 1.00 42.02 H new ATOM 0 HG12 VAL A 57 2.505 -7.985 -6.384 1.00 42.02 H new ATOM 0 HG13 VAL A 57 2.688 -6.256 -6.765 1.00 42.02 H new ATOM 0 HG21 VAL A 57 5.490 -5.973 -5.482 1.00 31.24 H new ATOM 0 HG22 VAL A 57 4.174 -4.805 -5.216 1.00 31.24 H new ATOM 0 HG23 VAL A 57 4.963 -5.588 -3.826 1.00 31.24 H new ATOM 970 N VAL A 58 0.201 -7.525 -4.493 1.00 33.32 N ATOM 971 CA VAL A 58 -0.836 -8.553 -4.425 1.00 43.51 C ATOM 972 C VAL A 58 -1.326 -8.986 -5.815 1.00 3.11 C ATOM 973 O VAL A 58 -1.345 -8.198 -6.761 1.00 23.43 O ATOM 974 CB VAL A 58 -2.042 -8.068 -3.584 1.00 12.33 C ATOM 975 CG1 VAL A 58 -1.594 -7.715 -2.165 1.00 70.44 C ATOM 976 CG2 VAL A 58 -2.728 -6.877 -4.251 1.00 1.34 C ATOM 0 H VAL A 58 -0.098 -6.653 -4.930 1.00 33.32 H new ATOM 0 HA VAL A 58 -0.379 -9.418 -3.944 1.00 43.51 H new ATOM 0 HB VAL A 58 -2.767 -8.880 -3.524 1.00 12.33 H new ATOM 0 HG11 VAL A 58 -2.453 -7.376 -1.586 1.00 70.44 H new ATOM 0 HG12 VAL A 58 -1.161 -8.596 -1.690 1.00 70.44 H new ATOM 0 HG13 VAL A 58 -0.848 -6.922 -2.206 1.00 70.44 H new ATOM 0 HG21 VAL A 58 -3.572 -6.555 -3.641 1.00 1.34 H new ATOM 0 HG22 VAL A 58 -2.017 -6.056 -4.350 1.00 1.34 H new ATOM 0 HG23 VAL A 58 -3.085 -7.169 -5.239 1.00 1.34 H new ATOM 986 N ASP A 59 -1.707 -10.256 -5.928 1.00 61.22 N ATOM 987 CA ASP A 59 -2.261 -10.789 -7.174 1.00 30.21 C ATOM 988 C ASP A 59 -3.794 -10.950 -7.084 1.00 74.54 C ATOM 989 O ASP A 59 -4.523 -10.548 -7.993 1.00 32.51 O ATOM 990 CB ASP A 59 -1.592 -12.127 -7.510 1.00 41.22 C ATOM 991 CG ASP A 59 -1.851 -13.189 -6.456 1.00 73.54 C ATOM 992 OD1 ASP A 59 -1.304 -13.076 -5.338 1.00 73.30 O ATOM 993 OD2 ASP A 59 -2.628 -14.128 -6.732 1.00 32.53 O ATOM 0 H ASP A 59 -1.643 -10.938 -5.172 1.00 61.22 H new ATOM 0 HA ASP A 59 -2.054 -10.078 -7.974 1.00 30.21 H new ATOM 0 HB2 ASP A 59 -1.958 -12.480 -8.474 1.00 41.22 H new ATOM 0 HB3 ASP A 59 -0.517 -11.976 -7.613 1.00 41.22 H new ATOM 998 N ASP A 60 -4.274 -11.527 -5.977 1.00 64.20 N ATOM 999 CA ASP A 60 -5.713 -11.755 -5.769 1.00 5.34 C ATOM 1000 C ASP A 60 -6.207 -11.079 -4.473 1.00 21.52 C ATOM 1001 O ASP A 60 -5.417 -10.765 -3.576 1.00 1.54 O ATOM 1002 CB ASP A 60 -5.996 -13.267 -5.718 1.00 50.21 C ATOM 1003 CG ASP A 60 -7.485 -13.594 -5.718 1.00 42.35 C ATOM 1004 OD1 ASP A 60 -8.105 -13.589 -4.638 1.00 12.32 O ATOM 1005 OD2 ASP A 60 -8.046 -13.846 -6.802 1.00 71.33 O ATOM 0 H ASP A 60 -3.686 -11.847 -5.207 1.00 64.20 H new ATOM 0 HA ASP A 60 -6.254 -11.310 -6.604 1.00 5.34 H new ATOM 0 HB2 ASP A 60 -5.524 -13.749 -6.574 1.00 50.21 H new ATOM 0 HB3 ASP A 60 -5.537 -13.687 -4.823 1.00 50.21 H new ATOM 1010 N LYS A 61 -7.524 -10.873 -4.386 1.00 14.45 N ATOM 1011 CA LYS A 61 -8.161 -10.267 -3.204 1.00 73.22 C ATOM 1012 C LYS A 61 -7.843 -11.064 -1.926 1.00 3.04 C ATOM 1013 O LYS A 61 -7.617 -10.487 -0.869 1.00 4.43 O ATOM 1014 CB LYS A 61 -9.688 -10.189 -3.432 1.00 54.42 C ATOM 1015 CG LYS A 61 -10.474 -9.359 -2.404 1.00 21.13 C ATOM 1016 CD LYS A 61 -10.724 -10.095 -1.084 1.00 14.52 C ATOM 1017 CE LYS A 61 -11.485 -11.403 -1.287 1.00 10.14 C ATOM 1018 NZ LYS A 61 -11.793 -12.074 0.007 1.00 10.24 N ATOM 0 H LYS A 61 -8.180 -11.119 -5.127 1.00 14.45 H new ATOM 0 HA LYS A 61 -7.762 -9.262 -3.067 1.00 73.22 H new ATOM 0 HB2 LYS A 61 -9.868 -9.772 -4.423 1.00 54.42 H new ATOM 0 HB3 LYS A 61 -10.089 -11.203 -3.436 1.00 54.42 H new ATOM 0 HG2 LYS A 61 -9.928 -8.438 -2.199 1.00 21.13 H new ATOM 0 HG3 LYS A 61 -11.432 -9.072 -2.837 1.00 21.13 H new ATOM 0 HD2 LYS A 61 -9.770 -10.303 -0.600 1.00 14.52 H new ATOM 0 HD3 LYS A 61 -11.288 -9.449 -0.411 1.00 14.52 H new ATOM 0 HE2 LYS A 61 -12.413 -11.203 -1.822 1.00 10.14 H new ATOM 0 HE3 LYS A 61 -10.895 -12.073 -1.912 1.00 10.14 H new ATOM 0 HZ1 LYS A 61 -11.792 -13.105 -0.128 1.00 10.24 H new ATOM 0 HZ2 LYS A 61 -11.073 -11.816 0.712 1.00 10.24 H new ATOM 0 HZ3 LYS A 61 -12.729 -11.770 0.342 1.00 10.24 H new ATOM 1032 N GLU A 62 -7.833 -12.387 -2.035 1.00 42.21 N ATOM 1033 CA GLU A 62 -7.573 -13.272 -0.891 1.00 2.24 C ATOM 1034 C GLU A 62 -6.193 -13.022 -0.261 1.00 61.21 C ATOM 1035 O GLU A 62 -6.019 -13.161 0.950 1.00 24.04 O ATOM 1036 CB GLU A 62 -7.711 -14.734 -1.333 1.00 10.52 C ATOM 1037 CG GLU A 62 -9.148 -15.119 -1.680 1.00 22.43 C ATOM 1038 CD GLU A 62 -9.253 -16.388 -2.508 1.00 12.13 C ATOM 1039 OE1 GLU A 62 -8.578 -17.385 -2.177 1.00 54.30 O ATOM 1040 OE2 GLU A 62 -10.037 -16.403 -3.485 1.00 43.10 O ATOM 0 H GLU A 62 -8.003 -12.881 -2.911 1.00 42.21 H new ATOM 0 HA GLU A 62 -8.312 -13.051 -0.121 1.00 2.24 H new ATOM 0 HB2 GLU A 62 -7.075 -14.907 -2.201 1.00 10.52 H new ATOM 0 HB3 GLU A 62 -7.348 -15.384 -0.537 1.00 10.52 H new ATOM 0 HG2 GLU A 62 -9.714 -15.249 -0.757 1.00 22.43 H new ATOM 0 HG3 GLU A 62 -9.614 -14.299 -2.226 1.00 22.43 H new ATOM 1047 N TRP A 63 -5.215 -12.649 -1.082 1.00 71.33 N ATOM 1048 CA TRP A 63 -3.888 -12.273 -0.579 1.00 44.14 C ATOM 1049 C TRP A 63 -3.903 -10.837 -0.013 1.00 53.52 C ATOM 1050 O TRP A 63 -3.457 -10.598 1.114 1.00 23.35 O ATOM 1051 CB TRP A 63 -2.841 -12.437 -1.701 1.00 72.34 C ATOM 1052 CG TRP A 63 -1.499 -11.805 -1.430 1.00 32.35 C ATOM 1053 CD1 TRP A 63 -0.710 -11.179 -2.348 1.00 72.54 C ATOM 1054 CD2 TRP A 63 -0.786 -11.734 -0.180 1.00 21.32 C ATOM 1055 NE1 TRP A 63 0.430 -10.702 -1.755 1.00 3.45 N ATOM 1056 CE2 TRP A 63 0.409 -11.031 -0.427 1.00 55.40 C ATOM 1057 CE3 TRP A 63 -1.044 -12.182 1.121 1.00 72.04 C ATOM 1058 CZ2 TRP A 63 1.337 -10.766 0.575 1.00 53.31 C ATOM 1059 CZ3 TRP A 63 -0.120 -11.921 2.111 1.00 14.54 C ATOM 1060 CH2 TRP A 63 1.057 -11.218 1.834 1.00 12.15 C ATOM 0 H TRP A 63 -5.311 -12.598 -2.096 1.00 71.33 H new ATOM 0 HA TRP A 63 -3.613 -12.936 0.242 1.00 44.14 H new ATOM 0 HB2 TRP A 63 -2.692 -13.501 -1.883 1.00 72.34 H new ATOM 0 HB3 TRP A 63 -3.246 -12.010 -2.618 1.00 72.34 H new ATOM 0 HD1 TRP A 63 -0.949 -11.074 -3.396 1.00 72.54 H new ATOM 0 HE1 TRP A 63 1.173 -10.186 -2.227 1.00 3.45 H new ATOM 0 HE3 TRP A 63 -1.951 -12.723 1.346 1.00 72.04 H new ATOM 0 HZ2 TRP A 63 2.246 -10.222 0.365 1.00 53.31 H new ATOM 0 HZ3 TRP A 63 -0.308 -12.265 3.117 1.00 14.54 H new ATOM 0 HH2 TRP A 63 1.760 -11.028 2.632 1.00 12.15 H new ATOM 1071 N ALA A 64 -4.440 -9.888 -0.778 1.00 40.31 N ATOM 1072 CA ALA A 64 -4.553 -8.494 -0.318 1.00 34.32 C ATOM 1073 C ALA A 64 -5.275 -8.406 1.039 1.00 44.22 C ATOM 1074 O ALA A 64 -4.757 -7.837 2.003 1.00 53.30 O ATOM 1075 CB ALA A 64 -5.281 -7.660 -1.365 1.00 23.41 C ATOM 0 H ALA A 64 -4.804 -10.052 -1.717 1.00 40.31 H new ATOM 0 HA ALA A 64 -3.547 -8.098 -0.181 1.00 34.32 H new ATOM 0 HB1 ALA A 64 -5.361 -6.630 -1.018 1.00 23.41 H new ATOM 0 HB2 ALA A 64 -4.724 -7.685 -2.302 1.00 23.41 H new ATOM 0 HB3 ALA A 64 -6.279 -8.068 -1.525 1.00 23.41 H new ATOM 1081 N GLU A 65 -6.468 -8.990 1.098 1.00 61.41 N ATOM 1082 CA GLU A 65 -7.262 -9.055 2.330 1.00 41.32 C ATOM 1083 C GLU A 65 -6.503 -9.765 3.462 1.00 15.42 C ATOM 1084 O GLU A 65 -6.597 -9.365 4.621 1.00 1.41 O ATOM 1085 CB GLU A 65 -8.585 -9.784 2.057 1.00 50.33 C ATOM 1086 CG GLU A 65 -9.415 -10.063 3.309 1.00 60.15 C ATOM 1087 CD GLU A 65 -10.664 -10.882 3.017 1.00 21.12 C ATOM 1088 OE1 GLU A 65 -10.546 -11.950 2.383 1.00 10.05 O ATOM 1089 OE2 GLU A 65 -11.768 -10.469 3.429 1.00 22.54 O ATOM 0 H GLU A 65 -6.915 -9.433 0.295 1.00 61.41 H new ATOM 0 HA GLU A 65 -7.460 -8.033 2.652 1.00 41.32 H new ATOM 0 HB2 GLU A 65 -9.180 -9.187 1.366 1.00 50.33 H new ATOM 0 HB3 GLU A 65 -8.370 -10.729 1.559 1.00 50.33 H new ATOM 0 HG2 GLU A 65 -8.800 -10.593 4.036 1.00 60.15 H new ATOM 0 HG3 GLU A 65 -9.705 -9.117 3.766 1.00 60.15 H new ATOM 1096 N LYS A 66 -5.761 -10.820 3.119 1.00 22.33 N ATOM 1097 CA LYS A 66 -4.971 -11.570 4.105 1.00 53.20 C ATOM 1098 C LYS A 66 -4.011 -10.635 4.859 1.00 13.42 C ATOM 1099 O LYS A 66 -3.942 -10.648 6.092 1.00 42.41 O ATOM 1100 CB LYS A 66 -4.173 -12.682 3.406 1.00 22.25 C ATOM 1101 CG LYS A 66 -3.600 -13.731 4.357 1.00 75.11 C ATOM 1102 CD LYS A 66 -4.691 -14.600 4.987 1.00 71.53 C ATOM 1103 CE LYS A 66 -5.294 -15.604 3.998 1.00 73.42 C ATOM 1104 NZ LYS A 66 -6.053 -14.953 2.892 1.00 4.31 N ATOM 0 H LYS A 66 -5.689 -11.177 2.166 1.00 22.33 H new ATOM 0 HA LYS A 66 -5.657 -12.017 4.824 1.00 53.20 H new ATOM 0 HB2 LYS A 66 -4.819 -13.178 2.682 1.00 22.25 H new ATOM 0 HB3 LYS A 66 -3.355 -12.230 2.845 1.00 22.25 H new ATOM 0 HG2 LYS A 66 -2.900 -14.367 3.815 1.00 75.11 H new ATOM 0 HG3 LYS A 66 -3.034 -13.234 5.145 1.00 75.11 H new ATOM 0 HD2 LYS A 66 -4.274 -15.140 5.837 1.00 71.53 H new ATOM 0 HD3 LYS A 66 -5.482 -13.958 5.374 1.00 71.53 H new ATOM 0 HE2 LYS A 66 -4.495 -16.211 3.573 1.00 73.42 H new ATOM 0 HE3 LYS A 66 -5.957 -16.281 4.536 1.00 73.42 H new ATOM 0 HZ1 LYS A 66 -6.785 -15.604 2.543 1.00 4.31 H new ATOM 0 HZ2 LYS A 66 -6.502 -14.084 3.244 1.00 4.31 H new ATOM 0 HZ3 LYS A 66 -5.402 -14.716 2.116 1.00 4.31 H new ATOM 1118 N ALA A 67 -3.281 -9.817 4.101 1.00 50.43 N ATOM 1119 CA ALA A 67 -2.342 -8.847 4.675 1.00 11.23 C ATOM 1120 C ALA A 67 -3.069 -7.775 5.508 1.00 72.24 C ATOM 1121 O ALA A 67 -2.710 -7.519 6.658 1.00 41.14 O ATOM 1122 CB ALA A 67 -1.517 -8.194 3.567 1.00 53.54 C ATOM 0 H ALA A 67 -3.321 -9.805 3.082 1.00 50.43 H new ATOM 0 HA ALA A 67 -1.674 -9.386 5.347 1.00 11.23 H new ATOM 0 HB1 ALA A 67 -0.824 -7.476 4.005 1.00 53.54 H new ATOM 0 HB2 ALA A 67 -0.956 -8.960 3.031 1.00 53.54 H new ATOM 0 HB3 ALA A 67 -2.182 -7.680 2.873 1.00 53.54 H new ATOM 1128 N ILE A 68 -4.098 -7.160 4.922 1.00 73.02 N ATOM 1129 CA ILE A 68 -4.865 -6.102 5.602 1.00 54.15 C ATOM 1130 C ILE A 68 -5.522 -6.622 6.896 1.00 12.32 C ATOM 1131 O ILE A 68 -5.587 -5.916 7.906 1.00 2.14 O ATOM 1132 CB ILE A 68 -5.958 -5.513 4.668 1.00 21.31 C ATOM 1133 CG1 ILE A 68 -5.337 -5.043 3.339 1.00 34.41 C ATOM 1134 CG2 ILE A 68 -6.704 -4.366 5.351 1.00 52.40 C ATOM 1135 CD1 ILE A 68 -4.187 -4.068 3.497 1.00 41.40 C ATOM 0 H ILE A 68 -4.423 -7.373 3.979 1.00 73.02 H new ATOM 0 HA ILE A 68 -4.157 -5.315 5.862 1.00 54.15 H new ATOM 0 HB ILE A 68 -6.679 -6.301 4.452 1.00 21.31 H new ATOM 0 HG12 ILE A 68 -4.985 -5.915 2.788 1.00 34.41 H new ATOM 0 HG13 ILE A 68 -6.114 -4.575 2.734 1.00 34.41 H new ATOM 0 HG21 ILE A 68 -7.463 -3.972 4.675 1.00 52.40 H new ATOM 0 HG22 ILE A 68 -7.182 -4.733 6.259 1.00 52.40 H new ATOM 0 HG23 ILE A 68 -5.999 -3.574 5.606 1.00 52.40 H new ATOM 0 HD11 ILE A 68 -3.809 -3.789 2.514 1.00 41.40 H new ATOM 0 HD12 ILE A 68 -4.535 -3.176 4.018 1.00 41.40 H new ATOM 0 HD13 ILE A 68 -3.389 -4.537 4.073 1.00 41.40 H new ATOM 1147 N ARG A 69 -5.998 -7.865 6.859 1.00 21.31 N ATOM 1148 CA ARG A 69 -6.595 -8.506 8.035 1.00 0.21 C ATOM 1149 C ARG A 69 -5.569 -8.613 9.174 1.00 21.21 C ATOM 1150 O ARG A 69 -5.897 -8.419 10.346 1.00 10.43 O ATOM 1151 CB ARG A 69 -7.109 -9.908 7.674 1.00 40.24 C ATOM 1152 CG ARG A 69 -7.887 -10.593 8.796 1.00 20.40 C ATOM 1153 CD ARG A 69 -8.030 -12.092 8.554 1.00 34.10 C ATOM 1154 NE ARG A 69 -6.730 -12.762 8.538 1.00 2.24 N ATOM 1155 CZ ARG A 69 -6.567 -14.056 8.518 1.00 43.15 C ATOM 1156 NH1 ARG A 69 -7.589 -14.851 8.537 1.00 54.40 N ATOM 1157 NH2 ARG A 69 -5.375 -14.557 8.494 1.00 72.01 N ATOM 0 H ARG A 69 -5.983 -8.452 6.025 1.00 21.31 H new ATOM 0 HA ARG A 69 -7.431 -7.891 8.369 1.00 0.21 H new ATOM 0 HB2 ARG A 69 -7.749 -9.834 6.795 1.00 40.24 H new ATOM 0 HB3 ARG A 69 -6.261 -10.535 7.399 1.00 40.24 H new ATOM 0 HG2 ARG A 69 -7.379 -10.425 9.746 1.00 20.40 H new ATOM 0 HG3 ARG A 69 -8.876 -10.143 8.880 1.00 20.40 H new ATOM 0 HD2 ARG A 69 -8.655 -12.529 9.333 1.00 34.10 H new ATOM 0 HD3 ARG A 69 -8.539 -12.261 7.605 1.00 34.10 H new ATOM 0 HE ARG A 69 -5.894 -12.178 8.543 1.00 2.24 H new ATOM 0 HH11 ARG A 69 -8.533 -14.467 8.568 1.00 54.40 H new ATOM 0 HH12 ARG A 69 -7.450 -15.861 8.521 1.00 54.40 H new ATOM 0 HH21 ARG A 69 -4.563 -13.940 8.491 1.00 72.01 H new ATOM 0 HH22 ARG A 69 -5.247 -15.569 8.478 1.00 72.01 H new ATOM 1171 N PHE A 70 -4.327 -8.933 8.813 1.00 74.23 N ATOM 1172 CA PHE A 70 -3.234 -9.030 9.782 1.00 4.53 C ATOM 1173 C PHE A 70 -2.935 -7.657 10.407 1.00 60.45 C ATOM 1174 O PHE A 70 -2.767 -7.536 11.622 1.00 43.14 O ATOM 1175 CB PHE A 70 -1.979 -9.600 9.099 1.00 44.23 C ATOM 1176 CG PHE A 70 -0.816 -9.838 10.034 1.00 73.44 C ATOM 1177 CD1 PHE A 70 -0.856 -10.869 10.962 1.00 40.05 C ATOM 1178 CD2 PHE A 70 0.320 -9.040 9.976 1.00 43.12 C ATOM 1179 CE1 PHE A 70 0.209 -11.098 11.814 1.00 74.41 C ATOM 1180 CE2 PHE A 70 1.386 -9.265 10.827 1.00 22.21 C ATOM 1181 CZ PHE A 70 1.331 -10.294 11.748 1.00 11.14 C ATOM 0 H PHE A 70 -4.051 -9.131 7.851 1.00 74.23 H new ATOM 0 HA PHE A 70 -3.536 -9.704 10.583 1.00 4.53 H new ATOM 0 HB2 PHE A 70 -2.239 -10.541 8.615 1.00 44.23 H new ATOM 0 HB3 PHE A 70 -1.664 -8.913 8.313 1.00 44.23 H new ATOM 0 HD1 PHE A 70 -1.730 -11.501 11.020 1.00 40.05 H new ATOM 0 HD2 PHE A 70 0.371 -8.235 9.258 1.00 43.12 H new ATOM 0 HE1 PHE A 70 0.164 -11.905 12.531 1.00 74.41 H new ATOM 0 HE2 PHE A 70 2.262 -8.636 10.772 1.00 22.21 H new ATOM 0 HZ PHE A 70 2.163 -10.469 12.414 1.00 11.14 H new ATOM 1191 N VAL A 71 -2.897 -6.621 9.566 1.00 24.51 N ATOM 1192 CA VAL A 71 -2.653 -5.245 10.026 1.00 35.54 C ATOM 1193 C VAL A 71 -3.726 -4.778 11.029 1.00 2.32 C ATOM 1194 O VAL A 71 -3.436 -4.024 11.959 1.00 3.42 O ATOM 1195 CB VAL A 71 -2.606 -4.254 8.832 1.00 61.14 C ATOM 1196 CG1 VAL A 71 -2.349 -2.825 9.309 1.00 71.05 C ATOM 1197 CG2 VAL A 71 -1.548 -4.684 7.816 1.00 73.14 C ATOM 0 H VAL A 71 -3.032 -6.706 8.559 1.00 24.51 H new ATOM 0 HA VAL A 71 -1.685 -5.252 10.527 1.00 35.54 H new ATOM 0 HB VAL A 71 -3.580 -4.272 8.343 1.00 61.14 H new ATOM 0 HG11 VAL A 71 -2.322 -2.154 8.450 1.00 71.05 H new ATOM 0 HG12 VAL A 71 -3.148 -2.518 9.984 1.00 71.05 H new ATOM 0 HG13 VAL A 71 -1.394 -2.783 9.833 1.00 71.05 H new ATOM 0 HG21 VAL A 71 -1.531 -3.977 6.987 1.00 73.14 H new ATOM 0 HG22 VAL A 71 -0.570 -4.704 8.296 1.00 73.14 H new ATOM 0 HG23 VAL A 71 -1.788 -5.678 7.439 1.00 73.14 H new ATOM 1207 N LYS A 72 -4.963 -5.247 10.847 1.00 32.02 N ATOM 1208 CA LYS A 72 -6.077 -4.857 11.727 1.00 31.42 C ATOM 1209 C LYS A 72 -5.812 -5.237 13.197 1.00 41.35 C ATOM 1210 O LYS A 72 -6.372 -4.637 14.117 1.00 0.13 O ATOM 1211 CB LYS A 72 -7.395 -5.489 11.246 1.00 21.21 C ATOM 1212 CG LYS A 72 -8.634 -4.922 11.946 1.00 51.21 C ATOM 1213 CD LYS A 72 -9.935 -5.535 11.428 1.00 4.54 C ATOM 1214 CE LYS A 72 -10.029 -7.024 11.733 1.00 72.02 C ATOM 1215 NZ LYS A 72 -11.340 -7.591 11.327 1.00 53.32 N ATOM 0 H LYS A 72 -5.222 -5.895 10.103 1.00 32.02 H new ATOM 0 HA LYS A 72 -6.162 -3.772 11.676 1.00 31.42 H new ATOM 0 HB2 LYS A 72 -7.492 -5.335 10.171 1.00 21.21 H new ATOM 0 HB3 LYS A 72 -7.354 -6.566 11.411 1.00 21.21 H new ATOM 0 HG2 LYS A 72 -8.554 -5.101 13.018 1.00 51.21 H new ATOM 0 HG3 LYS A 72 -8.664 -3.842 11.804 1.00 51.21 H new ATOM 0 HD2 LYS A 72 -10.783 -5.019 11.879 1.00 4.54 H new ATOM 0 HD3 LYS A 72 -10.004 -5.381 10.351 1.00 4.54 H new ATOM 0 HE2 LYS A 72 -9.229 -7.552 11.214 1.00 72.02 H new ATOM 0 HE3 LYS A 72 -9.878 -7.186 12.800 1.00 72.02 H new ATOM 0 HZ1 LYS A 72 -11.364 -8.606 11.552 1.00 53.32 H new ATOM 0 HZ2 LYS A 72 -12.103 -7.105 11.841 1.00 53.32 H new ATOM 0 HZ3 LYS A 72 -11.473 -7.460 10.304 1.00 53.32 H new ATOM 1229 N SER A 73 -4.944 -6.224 13.416 1.00 2.23 N ATOM 1230 CA SER A 73 -4.615 -6.680 14.775 1.00 72.11 C ATOM 1231 C SER A 73 -3.706 -5.682 15.516 1.00 30.14 C ATOM 1232 O SER A 73 -3.588 -5.727 16.746 1.00 35.44 O ATOM 1233 CB SER A 73 -3.945 -8.061 14.732 1.00 34.44 C ATOM 1234 OG SER A 73 -3.714 -8.558 16.041 1.00 25.11 O ATOM 0 H SER A 73 -4.454 -6.725 12.675 1.00 2.23 H new ATOM 0 HA SER A 73 -5.553 -6.749 15.325 1.00 72.11 H new ATOM 0 HB2 SER A 73 -4.577 -8.758 14.181 1.00 34.44 H new ATOM 0 HB3 SER A 73 -3.000 -7.993 14.193 1.00 34.44 H new ATOM 0 HG SER A 73 -3.603 -7.807 16.661 1.00 25.11 H new ATOM 1240 N LEU A 74 -3.076 -4.777 14.768 1.00 23.43 N ATOM 1241 CA LEU A 74 -2.168 -3.777 15.352 1.00 65.23 C ATOM 1242 C LEU A 74 -2.931 -2.717 16.168 1.00 53.31 C ATOM 1243 O LEU A 74 -2.436 -2.227 17.187 1.00 33.23 O ATOM 1244 CB LEU A 74 -1.351 -3.093 14.245 1.00 24.41 C ATOM 1245 CG LEU A 74 -0.494 -4.035 13.379 1.00 64.32 C ATOM 1246 CD1 LEU A 74 0.263 -3.249 12.309 1.00 54.53 C ATOM 1247 CD2 LEU A 74 0.473 -4.837 14.249 1.00 22.45 C ATOM 0 H LEU A 74 -3.175 -4.712 13.755 1.00 23.43 H new ATOM 0 HA LEU A 74 -1.496 -4.302 16.031 1.00 65.23 H new ATOM 0 HB2 LEU A 74 -2.036 -2.551 13.593 1.00 24.41 H new ATOM 0 HB3 LEU A 74 -0.696 -2.353 14.705 1.00 24.41 H new ATOM 0 HG LEU A 74 -1.160 -4.736 12.876 1.00 64.32 H new ATOM 0 HD11 LEU A 74 0.862 -3.935 11.709 1.00 54.53 H new ATOM 0 HD12 LEU A 74 -0.449 -2.731 11.666 1.00 54.53 H new ATOM 0 HD13 LEU A 74 0.917 -2.520 12.787 1.00 54.53 H new ATOM 0 HD21 LEU A 74 1.069 -5.496 13.618 1.00 22.45 H new ATOM 0 HD22 LEU A 74 1.132 -4.154 14.785 1.00 22.45 H new ATOM 0 HD23 LEU A 74 -0.092 -5.434 14.966 1.00 22.45 H new ATOM 1259 N GLY A 75 -4.128 -2.353 15.707 1.00 15.32 N ATOM 1260 CA GLY A 75 -4.954 -1.379 16.424 1.00 40.34 C ATOM 1261 C GLY A 75 -4.759 0.061 15.949 1.00 73.11 C ATOM 1262 O GLY A 75 -5.709 0.849 15.931 1.00 52.40 O ATOM 0 H GLY A 75 -4.545 -2.713 14.849 1.00 15.32 H new ATOM 0 HA2 GLY A 75 -6.003 -1.651 16.309 1.00 40.34 H new ATOM 0 HA3 GLY A 75 -4.725 -1.435 17.488 1.00 40.34 H new ATOM 1266 N ALA A 76 -3.530 0.408 15.571 1.00 54.25 N ATOM 1267 CA ALA A 76 -3.210 1.757 15.085 1.00 15.24 C ATOM 1268 C ALA A 76 -3.866 2.055 13.727 1.00 62.41 C ATOM 1269 O ALA A 76 -3.886 1.203 12.839 1.00 52.45 O ATOM 1270 CB ALA A 76 -1.697 1.923 14.971 1.00 64.31 C ATOM 0 H ALA A 76 -2.733 -0.228 15.591 1.00 54.25 H new ATOM 0 HA ALA A 76 -3.610 2.467 15.809 1.00 15.24 H new ATOM 0 HB1 ALA A 76 -1.467 2.926 14.610 1.00 64.31 H new ATOM 0 HB2 ALA A 76 -1.240 1.776 15.950 1.00 64.31 H new ATOM 0 HB3 ALA A 76 -1.302 1.186 14.272 1.00 64.31 H new ATOM 1276 N GLN A 77 -4.393 3.272 13.565 1.00 2.34 N ATOM 1277 CA GLN A 77 -4.963 3.693 12.282 1.00 51.43 C ATOM 1278 C GLN A 77 -3.846 3.927 11.252 1.00 20.44 C ATOM 1279 O GLN A 77 -2.880 4.653 11.514 1.00 0.04 O ATOM 1280 CB GLN A 77 -5.823 4.962 12.448 1.00 45.34 C ATOM 1281 CG GLN A 77 -5.048 6.201 12.896 1.00 72.21 C ATOM 1282 CD GLN A 77 -5.915 7.451 12.972 1.00 32.11 C ATOM 1283 OE1 GLN A 77 -7.104 7.383 13.259 1.00 52.32 O ATOM 1284 NE2 GLN A 77 -5.330 8.603 12.709 1.00 5.14 N ATOM 0 H GLN A 77 -4.437 3.978 14.300 1.00 2.34 H new ATOM 0 HA GLN A 77 -5.610 2.895 11.919 1.00 51.43 H new ATOM 0 HB2 GLN A 77 -6.313 5.180 11.499 1.00 45.34 H new ATOM 0 HB3 GLN A 77 -6.610 4.759 13.174 1.00 45.34 H new ATOM 0 HG2 GLN A 77 -4.606 6.012 13.874 1.00 72.21 H new ATOM 0 HG3 GLN A 77 -4.225 6.378 12.203 1.00 72.21 H new ATOM 0 HE21 GLN A 77 -4.338 8.629 12.473 1.00 5.14 H new ATOM 0 HE22 GLN A 77 -5.869 9.468 12.742 1.00 5.14 H new ATOM 1293 N VAL A 78 -3.963 3.296 10.089 1.00 23.41 N ATOM 1294 CA VAL A 78 -2.933 3.395 9.053 1.00 25.42 C ATOM 1295 C VAL A 78 -3.524 3.783 7.689 1.00 42.40 C ATOM 1296 O VAL A 78 -4.693 3.519 7.399 1.00 32.21 O ATOM 1297 CB VAL A 78 -2.143 2.065 8.914 1.00 32.34 C ATOM 1298 CG1 VAL A 78 -1.405 1.734 10.211 1.00 62.13 C ATOM 1299 CG2 VAL A 78 -3.067 0.915 8.517 1.00 1.15 C ATOM 0 H VAL A 78 -4.759 2.710 9.837 1.00 23.41 H new ATOM 0 HA VAL A 78 -2.252 4.184 9.370 1.00 25.42 H new ATOM 0 HB VAL A 78 -1.406 2.197 8.122 1.00 32.34 H new ATOM 0 HG11 VAL A 78 -0.859 0.799 10.090 1.00 62.13 H new ATOM 0 HG12 VAL A 78 -0.705 2.536 10.446 1.00 62.13 H new ATOM 0 HG13 VAL A 78 -2.125 1.632 11.023 1.00 62.13 H new ATOM 0 HG21 VAL A 78 -2.487 -0.003 8.427 1.00 1.15 H new ATOM 0 HG22 VAL A 78 -3.835 0.786 9.279 1.00 1.15 H new ATOM 0 HG23 VAL A 78 -3.539 1.141 7.561 1.00 1.15 H new ATOM 1309 N LEU A 79 -2.697 4.421 6.863 1.00 22.34 N ATOM 1310 CA LEU A 79 -3.084 4.817 5.509 1.00 64.15 C ATOM 1311 C LEU A 79 -2.741 3.715 4.496 1.00 45.42 C ATOM 1312 O LEU A 79 -1.572 3.441 4.225 1.00 2.12 O ATOM 1313 CB LEU A 79 -2.390 6.135 5.128 1.00 75.55 C ATOM 1314 CG LEU A 79 -2.504 6.552 3.649 1.00 31.31 C ATOM 1315 CD1 LEU A 79 -3.960 6.557 3.191 1.00 30.22 C ATOM 1316 CD2 LEU A 79 -1.862 7.920 3.426 1.00 14.32 C ATOM 0 H LEU A 79 -1.742 4.678 7.112 1.00 22.34 H new ATOM 0 HA LEU A 79 -4.163 4.968 5.488 1.00 64.15 H new ATOM 0 HB2 LEU A 79 -2.805 6.933 5.744 1.00 75.55 H new ATOM 0 HB3 LEU A 79 -1.333 6.053 5.382 1.00 75.55 H new ATOM 0 HG LEU A 79 -1.967 5.818 3.049 1.00 31.31 H new ATOM 0 HD11 LEU A 79 -4.011 6.855 2.144 1.00 30.22 H new ATOM 0 HD12 LEU A 79 -4.381 5.558 3.305 1.00 30.22 H new ATOM 0 HD13 LEU A 79 -4.530 7.262 3.797 1.00 30.22 H new ATOM 0 HD21 LEU A 79 -1.952 8.197 2.376 1.00 14.32 H new ATOM 0 HD22 LEU A 79 -2.367 8.664 4.043 1.00 14.32 H new ATOM 0 HD23 LEU A 79 -0.808 7.876 3.700 1.00 14.32 H new ATOM 1328 N ILE A 80 -3.772 3.084 3.950 1.00 3.33 N ATOM 1329 CA ILE A 80 -3.604 2.021 2.960 1.00 62.12 C ATOM 1330 C ILE A 80 -3.889 2.539 1.541 1.00 60.30 C ATOM 1331 O ILE A 80 -5.040 2.804 1.179 1.00 23.41 O ATOM 1332 CB ILE A 80 -4.530 0.820 3.284 1.00 22.32 C ATOM 1333 CG1 ILE A 80 -4.238 0.301 4.706 1.00 72.35 C ATOM 1334 CG2 ILE A 80 -4.354 -0.294 2.248 1.00 30.32 C ATOM 1335 CD1 ILE A 80 -5.185 -0.782 5.178 1.00 73.54 C ATOM 0 H ILE A 80 -4.745 3.291 4.177 1.00 3.33 H new ATOM 0 HA ILE A 80 -2.567 1.687 3.003 1.00 62.12 H new ATOM 0 HB ILE A 80 -5.567 1.153 3.241 1.00 22.32 H new ATOM 0 HG12 ILE A 80 -3.219 -0.084 4.738 1.00 72.35 H new ATOM 0 HG13 ILE A 80 -4.285 1.138 5.403 1.00 72.35 H new ATOM 0 HG21 ILE A 80 -5.013 -1.127 2.494 1.00 30.32 H new ATOM 0 HG22 ILE A 80 -4.605 0.087 1.258 1.00 30.32 H new ATOM 0 HG23 ILE A 80 -3.319 -0.636 2.254 1.00 30.32 H new ATOM 0 HD11 ILE A 80 -4.910 -1.091 6.187 1.00 73.54 H new ATOM 0 HD12 ILE A 80 -6.205 -0.397 5.181 1.00 73.54 H new ATOM 0 HD13 ILE A 80 -5.122 -1.638 4.506 1.00 73.54 H new ATOM 1347 N ILE A 81 -2.834 2.703 0.747 1.00 41.55 N ATOM 1348 CA ILE A 81 -2.967 3.192 -0.628 1.00 0.11 C ATOM 1349 C ILE A 81 -3.028 2.025 -1.622 1.00 30.11 C ATOM 1350 O ILE A 81 -2.084 1.248 -1.740 1.00 54.34 O ATOM 1351 CB ILE A 81 -1.796 4.132 -1.009 1.00 15.25 C ATOM 1352 CG1 ILE A 81 -1.710 5.303 -0.014 1.00 45.34 C ATOM 1353 CG2 ILE A 81 -1.959 4.645 -2.444 1.00 40.55 C ATOM 1354 CD1 ILE A 81 -0.610 6.296 -0.326 1.00 23.14 C ATOM 0 H ILE A 81 -1.874 2.505 1.030 1.00 41.55 H new ATOM 0 HA ILE A 81 -3.899 3.755 -0.679 1.00 0.11 H new ATOM 0 HB ILE A 81 -0.865 3.568 -0.958 1.00 15.25 H new ATOM 0 HG12 ILE A 81 -2.666 5.827 -0.002 1.00 45.34 H new ATOM 0 HG13 ILE A 81 -1.552 4.904 0.988 1.00 45.34 H new ATOM 0 HG21 ILE A 81 -1.126 5.303 -2.692 1.00 40.55 H new ATOM 0 HG22 ILE A 81 -1.971 3.801 -3.133 1.00 40.55 H new ATOM 0 HG23 ILE A 81 -2.895 5.196 -2.529 1.00 40.55 H new ATOM 0 HD11 ILE A 81 -0.615 7.091 0.420 1.00 23.14 H new ATOM 0 HD12 ILE A 81 0.354 5.788 -0.309 1.00 23.14 H new ATOM 0 HD13 ILE A 81 -0.777 6.725 -1.314 1.00 23.14 H new ATOM 1366 N ILE A 82 -4.139 1.909 -2.339 1.00 51.44 N ATOM 1367 CA ILE A 82 -4.360 0.773 -3.240 1.00 31.34 C ATOM 1368 C ILE A 82 -4.265 1.188 -4.718 1.00 43.22 C ATOM 1369 O ILE A 82 -4.829 2.205 -5.126 1.00 12.54 O ATOM 1370 CB ILE A 82 -5.743 0.126 -2.980 1.00 65.41 C ATOM 1371 CG1 ILE A 82 -5.899 -0.223 -1.488 1.00 71.13 C ATOM 1372 CG2 ILE A 82 -5.927 -1.121 -3.845 1.00 53.44 C ATOM 1373 CD1 ILE A 82 -7.259 -0.783 -1.130 1.00 72.30 C ATOM 0 H ILE A 82 -4.903 2.584 -2.318 1.00 51.44 H new ATOM 0 HA ILE A 82 -3.573 0.048 -3.033 1.00 31.34 H new ATOM 0 HB ILE A 82 -6.516 0.845 -3.251 1.00 65.41 H new ATOM 0 HG12 ILE A 82 -5.134 -0.949 -1.212 1.00 71.13 H new ATOM 0 HG13 ILE A 82 -5.718 0.673 -0.894 1.00 71.13 H new ATOM 0 HG21 ILE A 82 -6.905 -1.560 -3.647 1.00 53.44 H new ATOM 0 HG22 ILE A 82 -5.859 -0.847 -4.898 1.00 53.44 H new ATOM 0 HG23 ILE A 82 -5.149 -1.846 -3.608 1.00 53.44 H new ATOM 0 HD11 ILE A 82 -7.292 -1.004 -0.063 1.00 72.30 H new ATOM 0 HD12 ILE A 82 -8.029 -0.051 -1.373 1.00 72.30 H new ATOM 0 HD13 ILE A 82 -7.436 -1.698 -1.696 1.00 72.30 H new ATOM 1385 N TYR A 83 -3.547 0.393 -5.509 1.00 10.14 N ATOM 1386 CA TYR A 83 -3.412 0.629 -6.951 1.00 4.41 C ATOM 1387 C TYR A 83 -3.988 -0.534 -7.771 1.00 74.31 C ATOM 1388 O TYR A 83 -3.619 -1.695 -7.570 1.00 12.10 O ATOM 1389 CB TYR A 83 -1.934 0.834 -7.327 1.00 63.14 C ATOM 1390 CG TYR A 83 -1.696 0.966 -8.827 1.00 13.33 C ATOM 1391 CD1 TYR A 83 -1.971 2.156 -9.492 1.00 73.23 C ATOM 1392 CD2 TYR A 83 -1.210 -0.103 -9.578 1.00 43.40 C ATOM 1393 CE1 TYR A 83 -1.768 2.279 -10.853 1.00 33.12 C ATOM 1394 CE2 TYR A 83 -1.006 0.014 -10.942 1.00 63.03 C ATOM 1395 CZ TYR A 83 -1.287 1.208 -11.574 1.00 61.32 C ATOM 1396 OH TYR A 83 -1.088 1.334 -12.935 1.00 70.42 O ATOM 0 H TYR A 83 -3.044 -0.429 -5.174 1.00 10.14 H new ATOM 0 HA TYR A 83 -3.978 1.530 -7.185 1.00 4.41 H new ATOM 0 HB2 TYR A 83 -1.562 1.730 -6.829 1.00 63.14 H new ATOM 0 HB3 TYR A 83 -1.352 -0.006 -6.948 1.00 63.14 H new ATOM 0 HD1 TYR A 83 -2.350 3.000 -8.934 1.00 73.23 H new ATOM 0 HD2 TYR A 83 -0.989 -1.039 -9.087 1.00 43.40 H new ATOM 0 HE1 TYR A 83 -1.986 3.212 -11.351 1.00 33.12 H new ATOM 0 HE2 TYR A 83 -0.629 -0.825 -11.509 1.00 63.03 H new ATOM 0 HH TYR A 83 -0.744 0.490 -13.295 1.00 70.42 H new ATOM 1406 N ASP A 84 -4.881 -0.209 -8.700 1.00 4.13 N ATOM 1407 CA ASP A 84 -5.408 -1.189 -9.654 1.00 3.40 C ATOM 1408 C ASP A 84 -5.660 -0.521 -11.016 1.00 71.41 C ATOM 1409 O ASP A 84 -5.897 0.689 -11.093 1.00 44.44 O ATOM 1410 CB ASP A 84 -6.696 -1.828 -9.119 1.00 64.24 C ATOM 1411 CG ASP A 84 -7.170 -2.980 -9.991 1.00 73.34 C ATOM 1412 OD1 ASP A 84 -6.676 -4.110 -9.812 1.00 72.11 O ATOM 1413 OD2 ASP A 84 -8.016 -2.761 -10.879 1.00 14.34 O ATOM 0 H ASP A 84 -5.259 0.731 -8.816 1.00 4.13 H new ATOM 0 HA ASP A 84 -4.668 -1.978 -9.785 1.00 3.40 H new ATOM 0 HB2 ASP A 84 -6.527 -2.188 -8.104 1.00 64.24 H new ATOM 0 HB3 ASP A 84 -7.479 -1.071 -9.062 1.00 64.24 H new ATOM 1418 N GLN A 85 -5.607 -1.310 -12.082 1.00 12.42 N ATOM 1419 CA GLN A 85 -5.741 -0.787 -13.445 1.00 51.30 C ATOM 1420 C GLN A 85 -7.186 -0.353 -13.770 1.00 44.24 C ATOM 1421 O GLN A 85 -7.396 0.608 -14.517 1.00 72.32 O ATOM 1422 CB GLN A 85 -5.246 -1.846 -14.448 1.00 73.11 C ATOM 1423 CG GLN A 85 -5.317 -1.428 -15.921 1.00 30.52 C ATOM 1424 CD GLN A 85 -6.570 -1.925 -16.628 1.00 44.10 C ATOM 1425 OE1 GLN A 85 -7.597 -1.258 -16.655 1.00 12.42 O ATOM 1426 NE2 GLN A 85 -6.494 -3.109 -17.202 1.00 51.01 N ATOM 0 H GLN A 85 -5.472 -2.320 -12.033 1.00 12.42 H new ATOM 0 HA GLN A 85 -5.126 0.109 -13.525 1.00 51.30 H new ATOM 0 HB2 GLN A 85 -4.213 -2.098 -14.207 1.00 73.11 H new ATOM 0 HB3 GLN A 85 -5.835 -2.754 -14.315 1.00 73.11 H new ATOM 0 HG2 GLN A 85 -5.279 -0.341 -15.985 1.00 30.52 H new ATOM 0 HG3 GLN A 85 -4.439 -1.809 -16.442 1.00 30.52 H new ATOM 0 HE21 GLN A 85 -5.624 -3.640 -17.162 1.00 51.01 H new ATOM 0 HE22 GLN A 85 -7.305 -3.494 -17.686 1.00 51.01 H new ATOM 1435 N ASP A 86 -8.174 -1.041 -13.195 1.00 40.00 N ATOM 1436 CA ASP A 86 -9.585 -0.797 -13.525 1.00 20.25 C ATOM 1437 C ASP A 86 -10.360 -0.197 -12.331 1.00 63.21 C ATOM 1438 O ASP A 86 -10.230 -0.655 -11.195 1.00 13.01 O ATOM 1439 CB ASP A 86 -10.239 -2.108 -13.982 1.00 64.23 C ATOM 1440 CG ASP A 86 -11.624 -1.891 -14.558 1.00 14.51 C ATOM 1441 OD1 ASP A 86 -12.601 -1.891 -13.782 1.00 15.51 O ATOM 1442 OD2 ASP A 86 -11.740 -1.702 -15.788 1.00 32.22 O ATOM 0 H ASP A 86 -8.026 -1.772 -12.499 1.00 40.00 H new ATOM 0 HA ASP A 86 -9.622 -0.067 -14.333 1.00 20.25 H new ATOM 0 HB2 ASP A 86 -9.607 -2.584 -14.731 1.00 64.23 H new ATOM 0 HB3 ASP A 86 -10.303 -2.793 -13.137 1.00 64.23 H new ATOM 1447 N GLN A 87 -11.191 0.815 -12.604 1.00 31.13 N ATOM 1448 CA GLN A 87 -11.935 1.522 -11.548 1.00 23.31 C ATOM 1449 C GLN A 87 -12.954 0.611 -10.842 1.00 15.24 C ATOM 1450 O GLN A 87 -13.097 0.661 -9.619 1.00 33.14 O ATOM 1451 CB GLN A 87 -12.665 2.746 -12.117 1.00 34.42 C ATOM 1452 CG GLN A 87 -11.761 3.727 -12.856 1.00 4.44 C ATOM 1453 CD GLN A 87 -12.478 5.018 -13.222 1.00 71.00 C ATOM 1454 OE1 GLN A 87 -13.694 5.042 -13.387 1.00 41.13 O ATOM 1455 NE2 GLN A 87 -11.735 6.097 -13.361 1.00 13.41 N ATOM 0 H GLN A 87 -11.367 1.165 -13.546 1.00 31.13 H new ATOM 0 HA GLN A 87 -11.196 1.843 -10.814 1.00 23.31 H new ATOM 0 HB2 GLN A 87 -13.445 2.405 -12.798 1.00 34.42 H new ATOM 0 HB3 GLN A 87 -13.161 3.271 -11.301 1.00 34.42 H new ATOM 0 HG2 GLN A 87 -10.897 3.959 -12.234 1.00 4.44 H new ATOM 0 HG3 GLN A 87 -11.383 3.255 -13.763 1.00 4.44 H new ATOM 0 HE21 GLN A 87 -10.727 6.044 -13.217 1.00 13.41 H new ATOM 0 HE22 GLN A 87 -12.168 6.986 -13.613 1.00 13.41 H new ATOM 1464 N ASN A 88 -13.659 -0.222 -11.609 1.00 73.21 N ATOM 1465 CA ASN A 88 -14.682 -1.114 -11.045 1.00 35.24 C ATOM 1466 C ASN A 88 -14.078 -2.044 -9.983 1.00 63.11 C ATOM 1467 O ASN A 88 -14.711 -2.346 -8.968 1.00 74.24 O ATOM 1468 CB ASN A 88 -15.349 -1.929 -12.160 1.00 63.22 C ATOM 1469 CG ASN A 88 -16.368 -2.924 -11.636 1.00 43.15 C ATOM 1470 OD1 ASN A 88 -17.530 -2.594 -11.427 1.00 0.22 O ATOM 1471 ND2 ASN A 88 -15.943 -4.151 -11.415 1.00 20.25 N ATOM 0 H ASN A 88 -13.544 -0.300 -12.619 1.00 73.21 H new ATOM 0 HA ASN A 88 -15.440 -0.500 -10.559 1.00 35.24 H new ATOM 0 HB2 ASN A 88 -15.838 -1.249 -12.857 1.00 63.22 H new ATOM 0 HB3 ASN A 88 -14.582 -2.463 -12.721 1.00 63.22 H new ATOM 0 HD21 ASN A 88 -16.587 -4.858 -11.060 1.00 20.25 H new ATOM 0 HD22 ASN A 88 -14.970 -4.394 -11.599 1.00 20.25 H new ATOM 1478 N ARG A 89 -12.849 -2.483 -10.232 1.00 65.34 N ATOM 1479 CA ARG A 89 -12.098 -3.311 -9.281 1.00 63.44 C ATOM 1480 C ARG A 89 -11.553 -2.468 -8.111 1.00 1.53 C ATOM 1481 O ARG A 89 -11.803 -2.767 -6.941 1.00 12.33 O ATOM 1482 CB ARG A 89 -10.940 -4.005 -10.015 1.00 30.42 C ATOM 1483 CG ARG A 89 -11.376 -5.139 -10.943 1.00 31.01 C ATOM 1484 CD ARG A 89 -11.516 -6.459 -10.190 1.00 33.13 C ATOM 1485 NE ARG A 89 -10.215 -6.960 -9.746 1.00 34.30 N ATOM 1486 CZ ARG A 89 -10.036 -7.856 -8.816 1.00 75.32 C ATOM 1487 NH1 ARG A 89 -11.036 -8.351 -8.159 1.00 73.51 N ATOM 1488 NH2 ARG A 89 -8.838 -8.248 -8.533 1.00 10.14 N ATOM 0 H ARG A 89 -12.343 -2.279 -11.094 1.00 65.34 H new ATOM 0 HA ARG A 89 -12.773 -4.059 -8.865 1.00 63.44 H new ATOM 0 HB2 ARG A 89 -10.397 -3.262 -10.599 1.00 30.42 H new ATOM 0 HB3 ARG A 89 -10.243 -4.402 -9.277 1.00 30.42 H new ATOM 0 HG2 ARG A 89 -12.327 -4.883 -11.409 1.00 31.01 H new ATOM 0 HG3 ARG A 89 -10.648 -5.253 -11.746 1.00 31.01 H new ATOM 0 HD2 ARG A 89 -12.168 -6.320 -9.328 1.00 33.13 H new ATOM 0 HD3 ARG A 89 -11.992 -7.198 -10.834 1.00 33.13 H new ATOM 0 HE ARG A 89 -9.384 -6.579 -10.199 1.00 34.30 H new ATOM 0 HH11 ARG A 89 -11.986 -8.041 -8.365 1.00 73.51 H new ATOM 0 HH12 ARG A 89 -10.874 -9.051 -7.435 1.00 73.51 H new ATOM 0 HH21 ARG A 89 -8.041 -7.857 -9.036 1.00 10.14 H new ATOM 0 HH22 ARG A 89 -8.689 -8.949 -7.807 1.00 10.14 H new ATOM 1502 N LEU A 90 -10.819 -1.410 -8.447 1.00 31.05 N ATOM 1503 CA LEU A 90 -10.179 -0.537 -7.452 1.00 70.03 C ATOM 1504 C LEU A 90 -11.185 0.041 -6.432 1.00 5.12 C ATOM 1505 O LEU A 90 -11.006 -0.099 -5.218 1.00 34.24 O ATOM 1506 CB LEU A 90 -9.443 0.603 -8.174 1.00 2.13 C ATOM 1507 CG LEU A 90 -8.644 1.555 -7.273 1.00 2.00 C ATOM 1508 CD1 LEU A 90 -7.588 0.791 -6.478 1.00 72.41 C ATOM 1509 CD2 LEU A 90 -7.998 2.663 -8.104 1.00 71.20 C ATOM 0 H LEU A 90 -10.648 -1.130 -9.413 1.00 31.05 H new ATOM 0 HA LEU A 90 -9.472 -1.144 -6.886 1.00 70.03 H new ATOM 0 HB2 LEU A 90 -8.762 0.166 -8.904 1.00 2.13 H new ATOM 0 HB3 LEU A 90 -10.175 1.188 -8.731 1.00 2.13 H new ATOM 0 HG LEU A 90 -9.334 2.014 -6.565 1.00 2.00 H new ATOM 0 HD11 LEU A 90 -7.034 1.486 -5.847 1.00 72.41 H new ATOM 0 HD12 LEU A 90 -8.074 0.042 -5.853 1.00 72.41 H new ATOM 0 HD13 LEU A 90 -6.900 0.299 -7.166 1.00 72.41 H new ATOM 0 HD21 LEU A 90 -7.436 3.328 -7.449 1.00 71.20 H new ATOM 0 HD22 LEU A 90 -7.324 2.221 -8.838 1.00 71.20 H new ATOM 0 HD23 LEU A 90 -8.773 3.231 -8.619 1.00 71.20 H new ATOM 1521 N GLU A 91 -12.245 0.678 -6.930 1.00 55.34 N ATOM 1522 CA GLU A 91 -13.259 1.302 -6.064 1.00 34.20 C ATOM 1523 C GLU A 91 -14.074 0.262 -5.271 1.00 41.13 C ATOM 1524 O GLU A 91 -14.785 0.610 -4.333 1.00 74.51 O ATOM 1525 CB GLU A 91 -14.204 2.192 -6.884 1.00 21.23 C ATOM 1526 CG GLU A 91 -13.498 3.320 -7.631 1.00 52.23 C ATOM 1527 CD GLU A 91 -14.469 4.264 -8.324 1.00 24.55 C ATOM 1528 OE1 GLU A 91 -15.116 3.844 -9.306 1.00 54.24 O ATOM 1529 OE2 GLU A 91 -14.604 5.426 -7.883 1.00 33.23 O ATOM 0 H GLU A 91 -12.428 0.778 -7.928 1.00 55.34 H new ATOM 0 HA GLU A 91 -12.719 1.917 -5.344 1.00 34.20 H new ATOM 0 HB2 GLU A 91 -14.738 1.572 -7.604 1.00 21.23 H new ATOM 0 HB3 GLU A 91 -14.951 2.623 -6.217 1.00 21.23 H new ATOM 0 HG2 GLU A 91 -12.885 3.886 -6.930 1.00 52.23 H new ATOM 0 HG3 GLU A 91 -12.822 2.892 -8.372 1.00 52.23 H new ATOM 1536 N GLU A 92 -13.993 -1.005 -5.665 1.00 42.55 N ATOM 1537 CA GLU A 92 -14.664 -2.084 -4.928 1.00 23.34 C ATOM 1538 C GLU A 92 -13.843 -2.503 -3.698 1.00 31.45 C ATOM 1539 O GLU A 92 -14.342 -2.497 -2.568 1.00 64.14 O ATOM 1540 CB GLU A 92 -14.903 -3.292 -5.851 1.00 2.01 C ATOM 1541 CG GLU A 92 -15.479 -4.522 -5.147 1.00 4.45 C ATOM 1542 CD GLU A 92 -16.800 -4.249 -4.440 1.00 70.25 C ATOM 1543 OE1 GLU A 92 -17.826 -4.085 -5.127 1.00 24.31 O ATOM 1544 OE2 GLU A 92 -16.822 -4.211 -3.193 1.00 64.12 O ATOM 0 H GLU A 92 -13.473 -1.315 -6.486 1.00 42.55 H new ATOM 0 HA GLU A 92 -15.628 -1.712 -4.581 1.00 23.34 H new ATOM 0 HB2 GLU A 92 -15.582 -2.994 -6.650 1.00 2.01 H new ATOM 0 HB3 GLU A 92 -13.959 -3.567 -6.321 1.00 2.01 H new ATOM 0 HG2 GLU A 92 -15.624 -5.316 -5.879 1.00 4.45 H new ATOM 0 HG3 GLU A 92 -14.755 -4.888 -4.419 1.00 4.45 H new ATOM 1551 N PHE A 93 -12.573 -2.837 -3.916 1.00 11.32 N ATOM 1552 CA PHE A 93 -11.702 -3.294 -2.827 1.00 71.50 C ATOM 1553 C PHE A 93 -11.436 -2.172 -1.804 1.00 3.13 C ATOM 1554 O PHE A 93 -11.131 -2.442 -0.639 1.00 12.34 O ATOM 1555 CB PHE A 93 -10.379 -3.838 -3.390 1.00 53.45 C ATOM 1556 CG PHE A 93 -9.498 -4.484 -2.345 1.00 33.13 C ATOM 1557 CD1 PHE A 93 -9.945 -5.586 -1.630 1.00 13.02 C ATOM 1558 CD2 PHE A 93 -8.231 -3.989 -2.074 1.00 23.11 C ATOM 1559 CE1 PHE A 93 -9.149 -6.176 -0.665 1.00 44.14 C ATOM 1560 CE2 PHE A 93 -7.430 -4.576 -1.113 1.00 11.44 C ATOM 1561 CZ PHE A 93 -7.891 -5.670 -0.406 1.00 11.34 C ATOM 0 H PHE A 93 -12.123 -2.801 -4.830 1.00 11.32 H new ATOM 0 HA PHE A 93 -12.218 -4.099 -2.305 1.00 71.50 H new ATOM 0 HB2 PHE A 93 -10.598 -4.567 -4.170 1.00 53.45 H new ATOM 0 HB3 PHE A 93 -9.831 -3.022 -3.861 1.00 53.45 H new ATOM 0 HD1 PHE A 93 -10.927 -5.988 -1.830 1.00 13.02 H new ATOM 0 HD2 PHE A 93 -7.865 -3.133 -2.622 1.00 23.11 H new ATOM 0 HE1 PHE A 93 -9.511 -7.032 -0.115 1.00 44.14 H new ATOM 0 HE2 PHE A 93 -6.445 -4.180 -0.915 1.00 11.44 H new ATOM 0 HZ PHE A 93 -7.268 -6.128 0.348 1.00 11.34 H new ATOM 1571 N SER A 94 -11.568 -0.916 -2.233 1.00 72.13 N ATOM 1572 CA SER A 94 -11.432 0.228 -1.318 1.00 4.24 C ATOM 1573 C SER A 94 -12.468 0.146 -0.188 1.00 71.12 C ATOM 1574 O SER A 94 -12.149 0.351 0.984 1.00 25.43 O ATOM 1575 CB SER A 94 -11.591 1.557 -2.068 1.00 45.55 C ATOM 1576 OG SER A 94 -12.909 1.714 -2.566 1.00 42.23 O ATOM 0 H SER A 94 -11.768 -0.662 -3.200 1.00 72.13 H new ATOM 0 HA SER A 94 -10.431 0.188 -0.887 1.00 4.24 H new ATOM 0 HB2 SER A 94 -11.351 2.385 -1.400 1.00 45.55 H new ATOM 0 HB3 SER A 94 -10.881 1.598 -2.894 1.00 45.55 H new ATOM 0 HG SER A 94 -12.981 2.570 -3.038 1.00 42.23 H new ATOM 1582 N ARG A 95 -13.711 -0.172 -0.553 1.00 53.30 N ATOM 1583 CA ARG A 95 -14.789 -0.378 0.427 1.00 13.14 C ATOM 1584 C ARG A 95 -14.447 -1.530 1.381 1.00 13.13 C ATOM 1585 O ARG A 95 -14.652 -1.430 2.587 1.00 13.01 O ATOM 1586 CB ARG A 95 -16.121 -0.682 -0.280 1.00 61.44 C ATOM 1587 CG ARG A 95 -16.846 0.536 -0.851 1.00 13.21 C ATOM 1588 CD ARG A 95 -15.946 1.406 -1.721 1.00 51.51 C ATOM 1589 NE ARG A 95 -16.703 2.134 -2.737 1.00 24.11 N ATOM 1590 CZ ARG A 95 -17.129 3.361 -2.611 1.00 33.42 C ATOM 1591 NH1 ARG A 95 -16.980 4.006 -1.495 1.00 42.21 N ATOM 1592 NH2 ARG A 95 -17.733 3.932 -3.600 1.00 20.12 N ATOM 0 H ARG A 95 -14.001 -0.294 -1.523 1.00 53.30 H new ATOM 0 HA ARG A 95 -14.891 0.543 1.001 1.00 13.14 H new ATOM 0 HB2 ARG A 95 -15.932 -1.385 -1.091 1.00 61.44 H new ATOM 0 HB3 ARG A 95 -16.784 -1.181 0.427 1.00 61.44 H new ATOM 0 HG2 ARG A 95 -17.700 0.201 -1.440 1.00 13.21 H new ATOM 0 HG3 ARG A 95 -17.240 1.136 -0.031 1.00 13.21 H new ATOM 0 HD2 ARG A 95 -15.409 2.116 -1.091 1.00 51.51 H new ATOM 0 HD3 ARG A 95 -15.197 0.781 -2.206 1.00 51.51 H new ATOM 0 HE ARG A 95 -16.914 1.648 -3.608 1.00 24.11 H new ATOM 0 HH11 ARG A 95 -16.525 3.554 -0.702 1.00 42.21 H new ATOM 0 HH12 ARG A 95 -17.318 4.965 -1.411 1.00 42.21 H new ATOM 0 HH21 ARG A 95 -17.875 3.424 -4.473 1.00 20.12 H new ATOM 0 HH22 ARG A 95 -18.068 4.891 -3.508 1.00 20.12 H new ATOM 1606 N GLU A 96 -13.913 -2.616 0.819 1.00 54.43 N ATOM 1607 CA GLU A 96 -13.510 -3.790 1.586 1.00 33.34 C ATOM 1608 C GLU A 96 -12.547 -3.414 2.727 1.00 11.10 C ATOM 1609 O GLU A 96 -12.592 -3.994 3.815 1.00 55.42 O ATOM 1610 CB GLU A 96 -12.849 -4.783 0.621 1.00 71.35 C ATOM 1611 CG GLU A 96 -12.371 -6.072 1.261 1.00 22.03 C ATOM 1612 CD GLU A 96 -13.507 -6.941 1.777 1.00 14.51 C ATOM 1613 OE1 GLU A 96 -14.060 -7.740 0.992 1.00 24.33 O ATOM 1614 OE2 GLU A 96 -13.845 -6.838 2.973 1.00 60.43 O ATOM 0 H GLU A 96 -13.749 -2.704 -0.184 1.00 54.43 H new ATOM 0 HA GLU A 96 -14.387 -4.241 2.051 1.00 33.34 H new ATOM 0 HB2 GLU A 96 -13.559 -5.028 -0.169 1.00 71.35 H new ATOM 0 HB3 GLU A 96 -11.999 -4.294 0.145 1.00 71.35 H new ATOM 0 HG2 GLU A 96 -11.791 -6.638 0.533 1.00 22.03 H new ATOM 0 HG3 GLU A 96 -11.701 -5.833 2.087 1.00 22.03 H new ATOM 1621 N VAL A 97 -11.686 -2.429 2.470 1.00 15.21 N ATOM 1622 CA VAL A 97 -10.726 -1.944 3.468 1.00 73.15 C ATOM 1623 C VAL A 97 -11.351 -0.892 4.404 1.00 61.24 C ATOM 1624 O VAL A 97 -11.219 -0.982 5.628 1.00 24.13 O ATOM 1625 CB VAL A 97 -9.471 -1.348 2.783 1.00 14.43 C ATOM 1626 CG1 VAL A 97 -8.482 -0.813 3.816 1.00 31.32 C ATOM 1627 CG2 VAL A 97 -8.806 -2.390 1.884 1.00 21.30 C ATOM 0 H VAL A 97 -11.632 -1.947 1.573 1.00 15.21 H new ATOM 0 HA VAL A 97 -10.434 -2.805 4.069 1.00 73.15 H new ATOM 0 HB VAL A 97 -9.790 -0.510 2.162 1.00 14.43 H new ATOM 0 HG11 VAL A 97 -7.611 -0.401 3.306 1.00 31.32 H new ATOM 0 HG12 VAL A 97 -8.960 -0.032 4.407 1.00 31.32 H new ATOM 0 HG13 VAL A 97 -8.168 -1.624 4.473 1.00 31.32 H new ATOM 0 HG21 VAL A 97 -7.926 -1.954 1.411 1.00 21.30 H new ATOM 0 HG22 VAL A 97 -8.507 -3.250 2.483 1.00 21.30 H new ATOM 0 HG23 VAL A 97 -9.510 -2.710 1.116 1.00 21.30 H new ATOM 1637 N ARG A 98 -12.033 0.104 3.829 1.00 15.45 N ATOM 1638 CA ARG A 98 -12.668 1.170 4.623 1.00 3.24 C ATOM 1639 C ARG A 98 -13.703 0.596 5.605 1.00 64.03 C ATOM 1640 O ARG A 98 -13.887 1.109 6.711 1.00 33.34 O ATOM 1641 CB ARG A 98 -13.345 2.197 3.702 1.00 4.51 C ATOM 1642 CG ARG A 98 -13.834 3.447 4.429 1.00 73.44 C ATOM 1643 CD ARG A 98 -12.680 4.231 5.051 1.00 54.22 C ATOM 1644 NE ARG A 98 -13.141 5.394 5.809 1.00 32.52 N ATOM 1645 CZ ARG A 98 -12.601 6.582 5.734 1.00 31.33 C ATOM 1646 NH1 ARG A 98 -11.706 6.845 4.838 1.00 62.10 N ATOM 1647 NH2 ARG A 98 -12.999 7.530 6.519 1.00 24.25 N ATOM 0 H ARG A 98 -12.161 0.197 2.821 1.00 15.45 H new ATOM 0 HA ARG A 98 -11.884 1.663 5.197 1.00 3.24 H new ATOM 0 HB2 ARG A 98 -12.642 2.492 2.923 1.00 4.51 H new ATOM 0 HB3 ARG A 98 -14.191 1.723 3.204 1.00 4.51 H new ATOM 0 HG2 ARG A 98 -14.372 4.087 3.730 1.00 73.44 H new ATOM 0 HG3 ARG A 98 -14.541 3.161 5.208 1.00 73.44 H new ATOM 0 HD2 ARG A 98 -12.111 3.574 5.709 1.00 54.22 H new ATOM 0 HD3 ARG A 98 -12.001 4.559 4.264 1.00 54.22 H new ATOM 0 HE ARG A 98 -13.935 5.270 6.437 1.00 32.52 H new ATOM 0 HH11 ARG A 98 -11.415 6.122 4.180 1.00 62.10 H new ATOM 0 HH12 ARG A 98 -11.292 7.776 4.789 1.00 62.10 H new ATOM 0 HH21 ARG A 98 -13.737 7.352 7.200 1.00 24.25 H new ATOM 0 HH22 ARG A 98 -12.575 8.455 6.457 1.00 24.25 H new ATOM 1661 N ARG A 99 -14.363 -0.479 5.183 1.00 74.44 N ATOM 1662 CA ARG A 99 -15.353 -1.190 6.004 1.00 23.35 C ATOM 1663 C ARG A 99 -14.723 -1.686 7.323 1.00 2.15 C ATOM 1664 O ARG A 99 -15.422 -1.969 8.297 1.00 24.00 O ATOM 1665 CB ARG A 99 -15.914 -2.363 5.168 1.00 43.35 C ATOM 1666 CG ARG A 99 -17.217 -2.998 5.669 1.00 32.33 C ATOM 1667 CD ARG A 99 -16.992 -4.044 6.759 1.00 22.34 C ATOM 1668 NE ARG A 99 -18.121 -4.966 6.868 1.00 53.25 N ATOM 1669 CZ ARG A 99 -18.901 -5.066 7.909 1.00 74.21 C ATOM 1670 NH1 ARG A 99 -18.728 -4.300 8.939 1.00 33.51 N ATOM 1671 NH2 ARG A 99 -19.861 -5.930 7.912 1.00 2.24 N ATOM 0 H ARG A 99 -14.229 -0.888 4.258 1.00 74.44 H new ATOM 0 HA ARG A 99 -16.164 -0.517 6.281 1.00 23.35 H new ATOM 0 HB2 ARG A 99 -16.076 -2.009 4.150 1.00 43.35 H new ATOM 0 HB3 ARG A 99 -15.152 -3.141 5.118 1.00 43.35 H new ATOM 0 HG2 ARG A 99 -17.871 -2.216 6.054 1.00 32.33 H new ATOM 0 HG3 ARG A 99 -17.735 -3.462 4.829 1.00 32.33 H new ATOM 0 HD2 ARG A 99 -16.084 -4.606 6.542 1.00 22.34 H new ATOM 0 HD3 ARG A 99 -16.837 -3.545 7.715 1.00 22.34 H new ATOM 0 HE ARG A 99 -18.313 -5.575 6.073 1.00 53.25 H new ATOM 0 HH11 ARG A 99 -17.976 -3.610 8.941 1.00 33.51 H new ATOM 0 HH12 ARG A 99 -19.343 -4.386 9.748 1.00 33.51 H new ATOM 0 HH21 ARG A 99 -20.008 -6.532 7.102 1.00 2.24 H new ATOM 0 HH22 ARG A 99 -20.472 -6.010 8.725 1.00 2.24 H new ATOM 1685 N ARG A 100 -13.391 -1.769 7.346 1.00 30.30 N ATOM 1686 CA ARG A 100 -12.650 -2.263 8.514 1.00 34.34 C ATOM 1687 C ARG A 100 -12.081 -1.113 9.372 1.00 62.14 C ATOM 1688 O ARG A 100 -11.479 -1.350 10.416 1.00 65.41 O ATOM 1689 CB ARG A 100 -11.530 -3.196 8.033 1.00 61.21 C ATOM 1690 CG ARG A 100 -12.037 -4.255 7.060 1.00 13.43 C ATOM 1691 CD ARG A 100 -10.939 -5.174 6.542 1.00 1.54 C ATOM 1692 NE ARG A 100 -11.448 -6.022 5.466 1.00 21.11 N ATOM 1693 CZ ARG A 100 -11.285 -7.314 5.382 1.00 73.31 C ATOM 1694 NH1 ARG A 100 -10.603 -7.959 6.271 1.00 34.32 N ATOM 1695 NH2 ARG A 100 -11.823 -7.959 4.409 1.00 62.42 N ATOM 0 H ARG A 100 -12.797 -1.498 6.562 1.00 30.30 H new ATOM 0 HA ARG A 100 -13.339 -2.813 9.155 1.00 34.34 H new ATOM 0 HB2 ARG A 100 -10.751 -2.606 7.551 1.00 61.21 H new ATOM 0 HB3 ARG A 100 -11.073 -3.685 8.893 1.00 61.21 H new ATOM 0 HG2 ARG A 100 -12.801 -4.856 7.554 1.00 13.43 H new ATOM 0 HG3 ARG A 100 -12.517 -3.762 6.215 1.00 13.43 H new ATOM 0 HD2 ARG A 100 -10.100 -4.580 6.179 1.00 1.54 H new ATOM 0 HD3 ARG A 100 -10.562 -5.795 7.355 1.00 1.54 H new ATOM 0 HE ARG A 100 -11.974 -5.567 4.720 1.00 21.11 H new ATOM 0 HH11 ARG A 100 -10.182 -7.458 7.054 1.00 34.32 H new ATOM 0 HH12 ARG A 100 -10.486 -8.969 6.190 1.00 34.32 H new ATOM 0 HH21 ARG A 100 -12.373 -7.461 3.709 1.00 62.42 H new ATOM 0 HH22 ARG A 100 -11.700 -8.969 4.337 1.00 62.42 H new ATOM 1709 N GLY A 101 -12.277 0.133 8.924 1.00 64.24 N ATOM 1710 CA GLY A 101 -11.908 1.298 9.735 1.00 12.24 C ATOM 1711 C GLY A 101 -10.646 2.037 9.274 1.00 13.24 C ATOM 1712 O GLY A 101 -10.405 3.171 9.696 1.00 31.51 O ATOM 0 H GLY A 101 -12.684 0.358 8.016 1.00 64.24 H new ATOM 0 HA2 GLY A 101 -12.742 2.000 9.735 1.00 12.24 H new ATOM 0 HA3 GLY A 101 -11.764 0.973 10.766 1.00 12.24 H new ATOM 1716 N PHE A 102 -9.842 1.417 8.415 1.00 13.43 N ATOM 1717 CA PHE A 102 -8.569 2.019 7.980 1.00 41.31 C ATOM 1718 C PHE A 102 -8.750 3.068 6.870 1.00 74.34 C ATOM 1719 O PHE A 102 -9.710 3.024 6.096 1.00 31.33 O ATOM 1720 CB PHE A 102 -7.592 0.934 7.513 1.00 64.31 C ATOM 1721 CG PHE A 102 -7.069 0.080 8.637 1.00 43.32 C ATOM 1722 CD1 PHE A 102 -6.424 0.664 9.718 1.00 31.24 C ATOM 1723 CD2 PHE A 102 -7.212 -1.301 8.615 1.00 21.20 C ATOM 1724 CE1 PHE A 102 -5.935 -0.108 10.751 1.00 40.33 C ATOM 1725 CE2 PHE A 102 -6.722 -2.076 9.647 1.00 5.13 C ATOM 1726 CZ PHE A 102 -6.084 -1.477 10.716 1.00 52.41 C ATOM 0 H PHE A 102 -10.040 0.505 8.004 1.00 13.43 H new ATOM 0 HA PHE A 102 -8.160 2.535 8.849 1.00 41.31 H new ATOM 0 HB2 PHE A 102 -8.090 0.296 6.783 1.00 64.31 H new ATOM 0 HB3 PHE A 102 -6.752 1.406 7.003 1.00 64.31 H new ATOM 0 HD1 PHE A 102 -6.303 1.737 9.751 1.00 31.24 H new ATOM 0 HD2 PHE A 102 -7.712 -1.774 7.782 1.00 21.20 H new ATOM 0 HE1 PHE A 102 -5.436 0.360 11.586 1.00 40.33 H new ATOM 0 HE2 PHE A 102 -6.837 -3.149 9.619 1.00 5.13 H new ATOM 0 HZ PHE A 102 -5.702 -2.082 11.525 1.00 52.41 H new ATOM 1736 N GLU A 103 -7.802 4.005 6.797 1.00 32.45 N ATOM 1737 CA GLU A 103 -7.822 5.055 5.776 1.00 1.01 C ATOM 1738 C GLU A 103 -7.362 4.513 4.420 1.00 71.20 C ATOM 1739 O GLU A 103 -6.166 4.450 4.135 1.00 50.13 O ATOM 1740 CB GLU A 103 -6.918 6.229 6.190 1.00 22.22 C ATOM 1741 CG GLU A 103 -7.362 6.934 7.465 1.00 40.21 C ATOM 1742 CD GLU A 103 -6.449 8.093 7.836 1.00 64.13 C ATOM 1743 OE1 GLU A 103 -6.407 9.088 7.079 1.00 13.35 O ATOM 1744 OE2 GLU A 103 -5.779 8.023 8.890 1.00 72.41 O ATOM 0 H GLU A 103 -7.008 4.058 7.435 1.00 32.45 H new ATOM 0 HA GLU A 103 -8.850 5.406 5.684 1.00 1.01 H new ATOM 0 HB2 GLU A 103 -5.901 5.861 6.326 1.00 22.22 H new ATOM 0 HB3 GLU A 103 -6.888 6.955 5.377 1.00 22.22 H new ATOM 0 HG2 GLU A 103 -8.379 7.303 7.337 1.00 40.21 H new ATOM 0 HG3 GLU A 103 -7.384 6.216 8.285 1.00 40.21 H new ATOM 1751 N VAL A 104 -8.314 4.112 3.591 1.00 44.24 N ATOM 1752 CA VAL A 104 -8.004 3.616 2.250 1.00 34.12 C ATOM 1753 C VAL A 104 -8.053 4.746 1.212 1.00 30.14 C ATOM 1754 O VAL A 104 -9.047 5.465 1.099 1.00 25.42 O ATOM 1755 CB VAL A 104 -8.965 2.475 1.831 1.00 72.02 C ATOM 1756 CG1 VAL A 104 -10.419 2.932 1.896 1.00 2.41 C ATOM 1757 CG2 VAL A 104 -8.620 1.958 0.436 1.00 11.14 C ATOM 0 H VAL A 104 -9.308 4.119 3.819 1.00 44.24 H new ATOM 0 HA VAL A 104 -6.990 3.218 2.285 1.00 34.12 H new ATOM 0 HB VAL A 104 -8.839 1.654 2.537 1.00 72.02 H new ATOM 0 HG11 VAL A 104 -11.072 2.112 1.597 1.00 2.41 H new ATOM 0 HG12 VAL A 104 -10.660 3.235 2.915 1.00 2.41 H new ATOM 0 HG13 VAL A 104 -10.565 3.776 1.222 1.00 2.41 H new ATOM 0 HG21 VAL A 104 -9.308 1.158 0.164 1.00 11.14 H new ATOM 0 HG22 VAL A 104 -8.706 2.771 -0.285 1.00 11.14 H new ATOM 0 HG23 VAL A 104 -7.599 1.576 0.432 1.00 11.14 H new ATOM 1767 N ARG A 105 -6.971 4.902 0.460 1.00 43.41 N ATOM 1768 CA ARG A 105 -6.885 5.929 -0.583 1.00 21.22 C ATOM 1769 C ARG A 105 -6.356 5.325 -1.892 1.00 14.32 C ATOM 1770 O ARG A 105 -5.293 4.708 -1.928 1.00 52.13 O ATOM 1771 CB ARG A 105 -6.024 7.109 -0.088 1.00 33.44 C ATOM 1772 CG ARG A 105 -6.750 7.955 0.965 1.00 54.51 C ATOM 1773 CD ARG A 105 -5.882 9.062 1.557 1.00 43.22 C ATOM 1774 NE ARG A 105 -6.642 9.897 2.492 1.00 33.43 N ATOM 1775 CZ ARG A 105 -6.580 9.808 3.797 1.00 33.14 C ATOM 1776 NH1 ARG A 105 -5.777 8.974 4.370 1.00 64.41 N ATOM 1777 NH2 ARG A 105 -7.321 10.567 4.530 1.00 75.42 N ATOM 0 H ARG A 105 -6.133 4.328 0.550 1.00 43.41 H new ATOM 0 HA ARG A 105 -7.881 6.317 -0.795 1.00 21.22 H new ATOM 0 HB2 ARG A 105 -5.095 6.726 0.334 1.00 33.44 H new ATOM 0 HB3 ARG A 105 -5.754 7.740 -0.935 1.00 33.44 H new ATOM 0 HG2 ARG A 105 -7.637 8.401 0.514 1.00 54.51 H new ATOM 0 HG3 ARG A 105 -7.094 7.304 1.769 1.00 54.51 H new ATOM 0 HD2 ARG A 105 -5.029 8.621 2.072 1.00 43.22 H new ATOM 0 HD3 ARG A 105 -5.484 9.682 0.754 1.00 43.22 H new ATOM 0 HE ARG A 105 -7.266 10.600 2.096 1.00 33.43 H new ATOM 0 HH11 ARG A 105 -5.179 8.372 3.805 1.00 64.41 H new ATOM 0 HH12 ARG A 105 -5.741 8.918 5.388 1.00 64.41 H new ATOM 0 HH21 ARG A 105 -7.955 11.236 4.093 1.00 75.42 H new ATOM 0 HH22 ARG A 105 -7.273 10.498 5.547 1.00 75.42 H new ATOM 1791 N THR A 106 -7.127 5.498 -2.959 1.00 3.32 N ATOM 1792 CA THR A 106 -6.912 4.765 -4.212 1.00 42.44 C ATOM 1793 C THR A 106 -6.177 5.587 -5.280 1.00 21.40 C ATOM 1794 O THR A 106 -6.392 6.793 -5.426 1.00 45.13 O ATOM 1795 CB THR A 106 -8.262 4.298 -4.800 1.00 70.32 C ATOM 1796 OG1 THR A 106 -9.112 5.432 -5.044 1.00 51.43 O ATOM 1797 CG2 THR A 106 -8.965 3.331 -3.851 1.00 63.01 C ATOM 0 H THR A 106 -7.915 6.145 -2.986 1.00 3.32 H new ATOM 0 HA THR A 106 -6.283 3.914 -3.953 1.00 42.44 H new ATOM 0 HB THR A 106 -8.062 3.782 -5.739 1.00 70.32 H new ATOM 0 HG1 THR A 106 -9.965 5.127 -5.418 1.00 51.43 H new ATOM 0 HG21 THR A 106 -9.913 3.017 -4.288 1.00 63.01 H new ATOM 0 HG22 THR A 106 -8.334 2.458 -3.688 1.00 63.01 H new ATOM 0 HG23 THR A 106 -9.151 3.827 -2.898 1.00 63.01 H new ATOM 1805 N VAL A 107 -5.313 4.909 -6.036 1.00 63.32 N ATOM 1806 CA VAL A 107 -4.609 5.513 -7.171 1.00 44.42 C ATOM 1807 C VAL A 107 -4.790 4.661 -8.443 1.00 63.22 C ATOM 1808 O VAL A 107 -4.682 3.435 -8.404 1.00 31.12 O ATOM 1809 CB VAL A 107 -3.100 5.702 -6.866 1.00 64.32 C ATOM 1810 CG1 VAL A 107 -2.903 6.748 -5.770 1.00 62.24 C ATOM 1811 CG2 VAL A 107 -2.449 4.377 -6.468 1.00 22.31 C ATOM 0 H VAL A 107 -5.081 3.928 -5.881 1.00 63.32 H new ATOM 0 HA VAL A 107 -5.047 6.497 -7.341 1.00 44.42 H new ATOM 0 HB VAL A 107 -2.613 6.056 -7.775 1.00 64.32 H new ATOM 0 HG11 VAL A 107 -1.838 6.868 -5.569 1.00 62.24 H new ATOM 0 HG12 VAL A 107 -3.320 7.701 -6.097 1.00 62.24 H new ATOM 0 HG13 VAL A 107 -3.410 6.423 -4.861 1.00 62.24 H new ATOM 0 HG21 VAL A 107 -1.391 4.539 -6.260 1.00 22.31 H new ATOM 0 HG22 VAL A 107 -2.938 3.985 -5.577 1.00 22.31 H new ATOM 0 HG23 VAL A 107 -2.553 3.661 -7.284 1.00 22.31 H new ATOM 1821 N THR A 108 -5.077 5.317 -9.566 1.00 34.21 N ATOM 1822 CA THR A 108 -5.430 4.609 -10.814 1.00 53.21 C ATOM 1823 C THR A 108 -4.260 4.501 -11.802 1.00 60.33 C ATOM 1824 O THR A 108 -4.254 3.629 -12.674 1.00 20.33 O ATOM 1825 CB THR A 108 -6.598 5.313 -11.536 1.00 73.44 C ATOM 1826 OG1 THR A 108 -6.231 6.668 -11.845 1.00 60.22 O ATOM 1827 CG2 THR A 108 -7.857 5.303 -10.677 1.00 43.15 C ATOM 0 H THR A 108 -5.075 6.334 -9.646 1.00 34.21 H new ATOM 0 HA THR A 108 -5.714 3.603 -10.504 1.00 53.21 H new ATOM 0 HB THR A 108 -6.808 4.771 -12.458 1.00 73.44 H new ATOM 0 HG1 THR A 108 -6.974 7.111 -12.305 1.00 60.22 H new ATOM 0 HG21 THR A 108 -8.665 5.805 -11.209 1.00 43.15 H new ATOM 0 HG22 THR A 108 -8.146 4.273 -10.467 1.00 43.15 H new ATOM 0 HG23 THR A 108 -7.662 5.823 -9.739 1.00 43.15 H new ATOM 1835 N SER A 109 -3.282 5.386 -11.676 1.00 50.14 N ATOM 1836 CA SER A 109 -2.143 5.423 -12.609 1.00 34.04 C ATOM 1837 C SER A 109 -0.872 5.905 -11.903 1.00 30.02 C ATOM 1838 O SER A 109 -0.953 6.584 -10.882 1.00 74.35 O ATOM 1839 CB SER A 109 -2.460 6.344 -13.803 1.00 2.50 C ATOM 1840 OG SER A 109 -2.727 7.680 -13.383 1.00 62.43 O ATOM 0 H SER A 109 -3.246 6.092 -10.940 1.00 50.14 H new ATOM 0 HA SER A 109 -1.973 4.410 -12.974 1.00 34.04 H new ATOM 0 HB2 SER A 109 -1.620 6.342 -14.497 1.00 2.50 H new ATOM 0 HB3 SER A 109 -3.322 5.954 -14.345 1.00 2.50 H new ATOM 0 HG SER A 109 -2.922 8.236 -14.166 1.00 62.43 H new ATOM 1846 N PRO A 110 0.326 5.545 -12.418 1.00 11.11 N ATOM 1847 CA PRO A 110 1.603 6.051 -11.875 1.00 24.21 C ATOM 1848 C PRO A 110 1.614 7.583 -11.693 1.00 12.05 C ATOM 1849 O PRO A 110 2.220 8.104 -10.752 1.00 43.24 O ATOM 1850 CB PRO A 110 2.626 5.612 -12.928 1.00 70.42 C ATOM 1851 CG PRO A 110 2.033 4.385 -13.539 1.00 71.24 C ATOM 1852 CD PRO A 110 0.539 4.599 -13.536 1.00 53.34 C ATOM 0 HA PRO A 110 1.805 5.663 -10.877 1.00 24.21 H new ATOM 0 HB2 PRO A 110 2.785 6.390 -13.675 1.00 70.42 H new ATOM 0 HB3 PRO A 110 3.595 5.401 -12.476 1.00 70.42 H new ATOM 0 HG2 PRO A 110 2.404 4.236 -14.553 1.00 71.24 H new ATOM 0 HG3 PRO A 110 2.301 3.496 -12.968 1.00 71.24 H new ATOM 0 HD2 PRO A 110 0.191 5.012 -14.483 1.00 53.34 H new ATOM 0 HD3 PRO A 110 0.000 3.665 -13.379 1.00 53.34 H new ATOM 1860 N ASP A 111 0.943 8.299 -12.598 1.00 34.31 N ATOM 1861 CA ASP A 111 0.791 9.754 -12.473 1.00 74.04 C ATOM 1862 C ASP A 111 -0.168 10.102 -11.319 1.00 72.21 C ATOM 1863 O ASP A 111 0.162 10.905 -10.443 1.00 33.23 O ATOM 1864 CB ASP A 111 0.277 10.343 -13.791 1.00 21.34 C ATOM 1865 CG ASP A 111 0.252 11.864 -13.783 1.00 30.22 C ATOM 1866 OD1 ASP A 111 -0.773 12.449 -13.374 1.00 72.33 O ATOM 1867 OD2 ASP A 111 1.259 12.483 -14.191 1.00 52.12 O ATOM 0 H ASP A 111 0.497 7.899 -13.423 1.00 34.31 H new ATOM 0 HA ASP A 111 1.766 10.188 -12.249 1.00 74.04 H new ATOM 0 HB2 ASP A 111 0.909 9.998 -14.609 1.00 21.34 H new ATOM 0 HB3 ASP A 111 -0.728 9.968 -13.985 1.00 21.34 H new ATOM 1872 N ASP A 112 -1.346 9.470 -11.320 1.00 42.04 N ATOM 1873 CA ASP A 112 -2.347 9.652 -10.256 1.00 11.32 C ATOM 1874 C ASP A 112 -1.730 9.370 -8.872 1.00 11.22 C ATOM 1875 O ASP A 112 -2.047 10.032 -7.880 1.00 2.23 O ATOM 1876 CB ASP A 112 -3.530 8.708 -10.519 1.00 32.15 C ATOM 1877 CG ASP A 112 -4.750 9.016 -9.670 1.00 1.15 C ATOM 1878 OD1 ASP A 112 -5.512 9.937 -10.032 1.00 41.32 O ATOM 1879 OD2 ASP A 112 -4.965 8.331 -8.651 1.00 40.42 O ATOM 0 H ASP A 112 -1.634 8.821 -12.052 1.00 42.04 H new ATOM 0 HA ASP A 112 -2.695 10.685 -10.260 1.00 11.32 H new ATOM 0 HB2 ASP A 112 -3.805 8.768 -11.572 1.00 32.15 H new ATOM 0 HB3 ASP A 112 -3.215 7.682 -10.330 1.00 32.15 H new ATOM 1884 N PHE A 113 -0.838 8.384 -8.832 1.00 1.12 N ATOM 1885 CA PHE A 113 -0.103 8.032 -7.618 1.00 5.40 C ATOM 1886 C PHE A 113 0.860 9.153 -7.210 1.00 14.44 C ATOM 1887 O PHE A 113 0.887 9.567 -6.055 1.00 13.35 O ATOM 1888 CB PHE A 113 0.668 6.723 -7.840 1.00 1.44 C ATOM 1889 CG PHE A 113 1.528 6.306 -6.668 1.00 14.13 C ATOM 1890 CD1 PHE A 113 0.960 5.730 -5.541 1.00 4.20 C ATOM 1891 CD2 PHE A 113 2.906 6.487 -6.699 1.00 33.22 C ATOM 1892 CE1 PHE A 113 1.746 5.346 -4.471 1.00 41.10 C ATOM 1893 CE2 PHE A 113 3.693 6.104 -5.632 1.00 75.23 C ATOM 1894 CZ PHE A 113 3.113 5.533 -4.517 1.00 0.15 C ATOM 0 H PHE A 113 -0.604 7.806 -9.639 1.00 1.12 H new ATOM 0 HA PHE A 113 -0.820 7.896 -6.808 1.00 5.40 H new ATOM 0 HB2 PHE A 113 -0.044 5.927 -8.056 1.00 1.44 H new ATOM 0 HB3 PHE A 113 1.301 6.832 -8.721 1.00 1.44 H new ATOM 0 HD1 PHE A 113 -0.109 5.580 -5.499 1.00 4.20 H new ATOM 0 HD2 PHE A 113 3.366 6.933 -7.569 1.00 33.22 H new ATOM 0 HE1 PHE A 113 1.291 4.900 -3.599 1.00 41.10 H new ATOM 0 HE2 PHE A 113 4.762 6.251 -5.669 1.00 75.23 H new ATOM 0 HZ PHE A 113 3.728 5.233 -3.682 1.00 0.15 H new ATOM 1904 N LYS A 114 1.646 9.639 -8.165 1.00 42.32 N ATOM 1905 CA LYS A 114 2.613 10.714 -7.910 1.00 61.44 C ATOM 1906 C LYS A 114 1.933 11.976 -7.348 1.00 51.14 C ATOM 1907 O LYS A 114 2.380 12.549 -6.349 1.00 72.03 O ATOM 1908 CB LYS A 114 3.356 11.066 -9.205 1.00 52.02 C ATOM 1909 CG LYS A 114 4.370 12.197 -9.047 1.00 72.32 C ATOM 1910 CD LYS A 114 4.973 12.616 -10.383 1.00 61.20 C ATOM 1911 CE LYS A 114 5.876 13.832 -10.225 1.00 52.20 C ATOM 1912 NZ LYS A 114 6.395 14.313 -11.530 1.00 42.13 N ATOM 0 H LYS A 114 1.636 9.307 -9.129 1.00 42.32 H new ATOM 0 HA LYS A 114 3.318 10.351 -7.162 1.00 61.44 H new ATOM 0 HB2 LYS A 114 3.871 10.177 -9.570 1.00 52.02 H new ATOM 0 HB3 LYS A 114 2.628 11.347 -9.966 1.00 52.02 H new ATOM 0 HG2 LYS A 114 3.885 13.056 -8.583 1.00 72.32 H new ATOM 0 HG3 LYS A 114 5.166 11.878 -8.374 1.00 72.32 H new ATOM 0 HD2 LYS A 114 5.545 11.788 -10.802 1.00 61.20 H new ATOM 0 HD3 LYS A 114 4.175 12.842 -11.090 1.00 61.20 H new ATOM 0 HE2 LYS A 114 5.322 14.634 -9.737 1.00 52.20 H new ATOM 0 HE3 LYS A 114 6.712 13.580 -9.573 1.00 52.20 H new ATOM 0 HZ1 LYS A 114 7.005 15.141 -11.377 1.00 42.13 H new ATOM 0 HZ2 LYS A 114 6.946 13.557 -11.985 1.00 42.13 H new ATOM 0 HZ3 LYS A 114 5.599 14.578 -12.144 1.00 42.13 H new ATOM 1926 N LYS A 115 0.850 12.400 -7.998 1.00 63.23 N ATOM 1927 CA LYS A 115 0.137 13.625 -7.616 1.00 24.23 C ATOM 1928 C LYS A 115 -0.516 13.493 -6.232 1.00 50.53 C ATOM 1929 O LYS A 115 -0.476 14.418 -5.422 1.00 53.02 O ATOM 1930 CB LYS A 115 -0.931 13.958 -8.669 1.00 55.12 C ATOM 1931 CG LYS A 115 -0.397 13.966 -10.099 1.00 63.40 C ATOM 1932 CD LYS A 115 0.706 15.004 -10.295 1.00 1.54 C ATOM 1933 CE LYS A 115 1.393 14.854 -11.650 1.00 54.02 C ATOM 1934 NZ LYS A 115 0.422 14.864 -12.775 1.00 71.20 N ATOM 0 H LYS A 115 0.443 11.912 -8.796 1.00 63.23 H new ATOM 0 HA LYS A 115 0.866 14.434 -7.565 1.00 24.23 H new ATOM 0 HB2 LYS A 115 -1.740 13.231 -8.596 1.00 55.12 H new ATOM 0 HB3 LYS A 115 -1.359 14.935 -8.444 1.00 55.12 H new ATOM 0 HG2 LYS A 115 -0.012 12.977 -10.347 1.00 63.40 H new ATOM 0 HG3 LYS A 115 -1.215 14.172 -10.790 1.00 63.40 H new ATOM 0 HD2 LYS A 115 0.282 16.005 -10.211 1.00 1.54 H new ATOM 0 HD3 LYS A 115 1.445 14.903 -9.500 1.00 1.54 H new ATOM 0 HE2 LYS A 115 2.110 15.664 -11.784 1.00 54.02 H new ATOM 0 HE3 LYS A 115 1.958 13.922 -11.668 1.00 54.02 H new ATOM 0 HZ1 LYS A 115 0.936 14.811 -13.678 1.00 71.20 H new ATOM 0 HZ2 LYS A 115 -0.215 14.047 -12.691 1.00 71.20 H new ATOM 0 HZ3 LYS A 115 -0.135 15.742 -12.745 1.00 71.20 H new ATOM 1948 N SER A 116 -1.116 12.334 -5.967 1.00 35.32 N ATOM 1949 CA SER A 116 -1.780 12.087 -4.682 1.00 1.23 C ATOM 1950 C SER A 116 -0.765 11.869 -3.553 1.00 2.54 C ATOM 1951 O SER A 116 -0.893 12.453 -2.476 1.00 61.13 O ATOM 1952 CB SER A 116 -2.715 10.876 -4.783 1.00 11.32 C ATOM 1953 OG SER A 116 -3.695 11.071 -5.791 1.00 0.20 O ATOM 0 H SER A 116 -1.158 11.552 -6.620 1.00 35.32 H new ATOM 0 HA SER A 116 -2.366 12.974 -4.443 1.00 1.23 H new ATOM 0 HB2 SER A 116 -2.134 9.981 -5.005 1.00 11.32 H new ATOM 0 HB3 SER A 116 -3.204 10.709 -3.823 1.00 11.32 H new ATOM 0 HG SER A 116 -3.346 10.757 -6.651 1.00 0.20 H new ATOM 1959 N LEU A 117 0.255 11.046 -3.815 1.00 2.15 N ATOM 1960 CA LEU A 117 1.263 10.690 -2.802 1.00 33.00 C ATOM 1961 C LEU A 117 1.842 11.936 -2.113 1.00 61.50 C ATOM 1962 O LEU A 117 1.949 11.977 -0.890 1.00 40.53 O ATOM 1963 CB LEU A 117 2.402 9.873 -3.436 1.00 54.53 C ATOM 1964 CG LEU A 117 3.459 9.349 -2.447 1.00 61.42 C ATOM 1965 CD1 LEU A 117 2.834 8.375 -1.449 1.00 40.14 C ATOM 1966 CD2 LEU A 117 4.621 8.692 -3.187 1.00 42.03 C ATOM 0 H LEU A 117 0.408 10.610 -4.724 1.00 2.15 H new ATOM 0 HA LEU A 117 0.761 10.086 -2.046 1.00 33.00 H new ATOM 0 HB2 LEU A 117 1.969 9.024 -3.964 1.00 54.53 H new ATOM 0 HB3 LEU A 117 2.900 10.492 -4.182 1.00 54.53 H new ATOM 0 HG LEU A 117 3.851 10.201 -1.891 1.00 61.42 H new ATOM 0 HD11 LEU A 117 3.600 8.018 -0.760 1.00 40.14 H new ATOM 0 HD12 LEU A 117 2.050 8.883 -0.888 1.00 40.14 H new ATOM 0 HD13 LEU A 117 2.406 7.529 -1.986 1.00 40.14 H new ATOM 0 HD21 LEU A 117 5.354 8.330 -2.466 1.00 42.03 H new ATOM 0 HD22 LEU A 117 4.249 7.855 -3.778 1.00 42.03 H new ATOM 0 HD23 LEU A 117 5.091 9.421 -3.847 1.00 42.03 H new ATOM 1978 N GLU A 118 2.195 12.953 -2.904 1.00 72.12 N ATOM 1979 CA GLU A 118 2.722 14.220 -2.365 1.00 0.21 C ATOM 1980 C GLU A 118 1.841 14.770 -1.234 1.00 51.21 C ATOM 1981 O GLU A 118 2.340 15.217 -0.198 1.00 64.42 O ATOM 1982 CB GLU A 118 2.831 15.270 -3.484 1.00 72.21 C ATOM 1983 CG GLU A 118 3.933 14.992 -4.497 1.00 1.02 C ATOM 1984 CD GLU A 118 5.318 15.045 -3.874 1.00 2.35 C ATOM 1985 OE1 GLU A 118 5.916 16.141 -3.823 1.00 75.42 O ATOM 1986 OE2 GLU A 118 5.817 13.991 -3.431 1.00 44.24 O ATOM 0 H GLU A 118 2.127 12.928 -3.921 1.00 72.12 H new ATOM 0 HA GLU A 118 3.710 14.012 -1.955 1.00 0.21 H new ATOM 0 HB2 GLU A 118 1.877 15.326 -4.008 1.00 72.21 H new ATOM 0 HB3 GLU A 118 3.005 16.247 -3.034 1.00 72.21 H new ATOM 0 HG2 GLU A 118 3.775 14.010 -4.942 1.00 1.02 H new ATOM 0 HG3 GLU A 118 3.873 15.721 -5.305 1.00 1.02 H new ATOM 1993 N ARG A 119 0.531 14.711 -1.437 1.00 61.13 N ATOM 1994 CA ARG A 119 -0.438 15.258 -0.486 1.00 44.24 C ATOM 1995 C ARG A 119 -0.737 14.272 0.655 1.00 40.24 C ATOM 1996 O ARG A 119 -0.963 14.680 1.798 1.00 13.42 O ATOM 1997 CB ARG A 119 -1.722 15.629 -1.236 1.00 21.54 C ATOM 1998 CG ARG A 119 -1.472 16.626 -2.363 1.00 50.23 C ATOM 1999 CD ARG A 119 -2.708 16.874 -3.217 1.00 74.54 C ATOM 2000 NE ARG A 119 -2.420 17.804 -4.306 1.00 73.31 N ATOM 2001 CZ ARG A 119 -2.744 17.606 -5.552 1.00 12.24 C ATOM 2002 NH1 ARG A 119 -3.381 16.537 -5.910 1.00 61.12 N ATOM 2003 NH2 ARG A 119 -2.422 18.486 -6.442 1.00 74.32 N ATOM 0 H ARG A 119 0.108 14.285 -2.261 1.00 61.13 H new ATOM 0 HA ARG A 119 -0.011 16.150 -0.028 1.00 44.24 H new ATOM 0 HB2 ARG A 119 -2.173 14.726 -1.647 1.00 21.54 H new ATOM 0 HB3 ARG A 119 -2.440 16.052 -0.534 1.00 21.54 H new ATOM 0 HG2 ARG A 119 -1.134 17.571 -1.938 1.00 50.23 H new ATOM 0 HG3 ARG A 119 -0.666 16.256 -2.997 1.00 50.23 H new ATOM 0 HD2 ARG A 119 -3.065 15.929 -3.627 1.00 74.54 H new ATOM 0 HD3 ARG A 119 -3.508 17.275 -2.595 1.00 74.54 H new ATOM 0 HE ARG A 119 -1.931 18.669 -4.075 1.00 73.31 H new ATOM 0 HH11 ARG A 119 -3.635 15.837 -5.213 1.00 61.12 H new ATOM 0 HH12 ARG A 119 -3.629 16.395 -6.889 1.00 61.12 H new ATOM 0 HH21 ARG A 119 -1.918 19.329 -6.167 1.00 74.32 H new ATOM 0 HH22 ARG A 119 -2.672 18.338 -7.420 1.00 74.32 H new ATOM 2017 N LEU A 120 -0.724 12.977 0.345 1.00 2.04 N ATOM 2018 CA LEU A 120 -0.968 11.935 1.353 1.00 33.12 C ATOM 2019 C LEU A 120 0.197 11.855 2.358 1.00 75.14 C ATOM 2020 O LEU A 120 -0.002 11.577 3.543 1.00 63.52 O ATOM 2021 CB LEU A 120 -1.187 10.573 0.673 1.00 3.05 C ATOM 2022 CG LEU A 120 -2.255 10.554 -0.440 1.00 42.42 C ATOM 2023 CD1 LEU A 120 -2.514 9.130 -0.929 1.00 40.34 C ATOM 2024 CD2 LEU A 120 -3.551 11.211 0.031 1.00 21.23 C ATOM 0 H LEU A 120 -0.548 12.620 -0.594 1.00 2.04 H new ATOM 0 HA LEU A 120 -1.871 12.200 1.903 1.00 33.12 H new ATOM 0 HB2 LEU A 120 -0.239 10.241 0.250 1.00 3.05 H new ATOM 0 HB3 LEU A 120 -1.468 9.846 1.435 1.00 3.05 H new ATOM 0 HG LEU A 120 -1.870 11.133 -1.279 1.00 42.42 H new ATOM 0 HD11 LEU A 120 -3.271 9.147 -1.713 1.00 40.34 H new ATOM 0 HD12 LEU A 120 -1.590 8.708 -1.325 1.00 40.34 H new ATOM 0 HD13 LEU A 120 -2.866 8.518 -0.098 1.00 40.34 H new ATOM 0 HD21 LEU A 120 -4.286 11.184 -0.773 1.00 21.23 H new ATOM 0 HD22 LEU A 120 -3.939 10.672 0.895 1.00 21.23 H new ATOM 0 HD23 LEU A 120 -3.354 12.247 0.308 1.00 21.23 H new ATOM 2036 N ILE A 121 1.415 12.113 1.871 1.00 71.25 N ATOM 2037 CA ILE A 121 2.609 12.171 2.727 1.00 22.50 C ATOM 2038 C ILE A 121 2.445 13.222 3.839 1.00 72.25 C ATOM 2039 O ILE A 121 2.881 13.018 4.973 1.00 32.40 O ATOM 2040 CB ILE A 121 3.883 12.497 1.894 1.00 41.33 C ATOM 2041 CG1 ILE A 121 4.235 11.323 0.964 1.00 5.41 C ATOM 2042 CG2 ILE A 121 5.067 12.838 2.803 1.00 63.41 C ATOM 2043 CD1 ILE A 121 5.399 11.602 0.030 1.00 12.44 C ATOM 0 H ILE A 121 1.603 12.286 0.883 1.00 71.25 H new ATOM 0 HA ILE A 121 2.725 11.187 3.182 1.00 22.50 H new ATOM 0 HB ILE A 121 3.668 13.373 1.282 1.00 41.33 H new ATOM 0 HG12 ILE A 121 4.472 10.450 1.572 1.00 5.41 H new ATOM 0 HG13 ILE A 121 3.358 11.069 0.369 1.00 5.41 H new ATOM 0 HG21 ILE A 121 5.942 13.061 2.192 1.00 63.41 H new ATOM 0 HG22 ILE A 121 4.819 13.707 3.413 1.00 63.41 H new ATOM 0 HG23 ILE A 121 5.284 11.989 3.452 1.00 63.41 H new ATOM 0 HD11 ILE A 121 5.584 10.726 -0.592 1.00 12.44 H new ATOM 0 HD12 ILE A 121 5.159 12.454 -0.606 1.00 12.44 H new ATOM 0 HD13 ILE A 121 6.290 11.826 0.616 1.00 12.44 H new ATOM 2055 N ARG A 122 1.797 14.336 3.508 1.00 35.13 N ATOM 2056 CA ARG A 122 1.584 15.428 4.463 1.00 52.24 C ATOM 2057 C ARG A 122 0.567 15.044 5.548 1.00 12.25 C ATOM 2058 O ARG A 122 0.588 15.592 6.647 1.00 20.14 O ATOM 2059 CB ARG A 122 1.122 16.690 3.720 1.00 33.41 C ATOM 2060 CG ARG A 122 2.109 17.146 2.648 1.00 52.25 C ATOM 2061 CD ARG A 122 3.471 17.498 3.246 1.00 54.21 C ATOM 2062 NE ARG A 122 4.540 17.433 2.253 1.00 41.04 N ATOM 2063 CZ ARG A 122 5.786 17.730 2.496 1.00 31.33 C ATOM 2064 NH1 ARG A 122 6.134 18.217 3.643 1.00 24.44 N ATOM 2065 NH2 ARG A 122 6.680 17.549 1.581 1.00 61.21 N ATOM 0 H ARG A 122 1.407 14.510 2.582 1.00 35.13 H new ATOM 0 HA ARG A 122 2.533 15.629 4.960 1.00 52.24 H new ATOM 0 HB2 ARG A 122 0.154 16.498 3.257 1.00 33.41 H new ATOM 0 HB3 ARG A 122 0.977 17.496 4.439 1.00 33.41 H new ATOM 0 HG2 ARG A 122 2.230 16.357 1.906 1.00 52.25 H new ATOM 0 HG3 ARG A 122 1.705 18.014 2.127 1.00 52.25 H new ATOM 0 HD2 ARG A 122 3.432 18.501 3.671 1.00 54.21 H new ATOM 0 HD3 ARG A 122 3.695 16.814 4.064 1.00 54.21 H new ATOM 0 HE ARG A 122 4.296 17.136 1.308 1.00 41.04 H new ATOM 0 HH11 ARG A 122 5.431 18.371 4.366 1.00 24.44 H new ATOM 0 HH12 ARG A 122 7.111 18.446 3.824 1.00 24.44 H new ATOM 0 HH21 ARG A 122 6.410 17.175 0.671 1.00 61.21 H new ATOM 0 HH22 ARG A 122 7.656 17.780 1.768 1.00 61.21 H new ATOM 2079 N GLU A 123 -0.317 14.100 5.233 1.00 73.44 N ATOM 2080 CA GLU A 123 -1.322 13.624 6.191 1.00 31.30 C ATOM 2081 C GLU A 123 -0.735 12.582 7.157 1.00 44.31 C ATOM 2082 O GLU A 123 -0.985 12.630 8.363 1.00 2.41 O ATOM 2083 CB GLU A 123 -2.522 13.029 5.443 1.00 2.30 C ATOM 2084 CG GLU A 123 -3.201 14.018 4.504 1.00 70.42 C ATOM 2085 CD GLU A 123 -4.407 13.429 3.791 1.00 0.42 C ATOM 2086 OE1 GLU A 123 -4.232 12.822 2.718 1.00 34.22 O ATOM 2087 OE2 GLU A 123 -5.542 13.592 4.293 1.00 52.23 O ATOM 0 H GLU A 123 -0.361 13.646 4.320 1.00 73.44 H new ATOM 0 HA GLU A 123 -1.650 14.479 6.782 1.00 31.30 H new ATOM 0 HB2 GLU A 123 -2.190 12.164 4.869 1.00 2.30 H new ATOM 0 HB3 GLU A 123 -3.251 12.669 6.169 1.00 2.30 H new ATOM 0 HG2 GLU A 123 -3.514 14.894 5.072 1.00 70.42 H new ATOM 0 HG3 GLU A 123 -2.479 14.361 3.763 1.00 70.42 H new ATOM 2094 N VAL A 124 0.041 11.638 6.623 1.00 60.44 N ATOM 2095 CA VAL A 124 0.677 10.606 7.455 1.00 35.14 C ATOM 2096 C VAL A 124 1.858 11.178 8.266 1.00 21.13 C ATOM 2097 O VAL A 124 1.993 10.897 9.457 1.00 20.45 O ATOM 2098 CB VAL A 124 1.156 9.396 6.601 1.00 53.41 C ATOM 2099 CG1 VAL A 124 2.169 9.826 5.540 1.00 45.33 C ATOM 2100 CG2 VAL A 124 1.738 8.302 7.496 1.00 45.22 C ATOM 0 H VAL A 124 0.246 11.563 5.627 1.00 60.44 H new ATOM 0 HA VAL A 124 -0.083 10.256 8.153 1.00 35.14 H new ATOM 0 HB VAL A 124 0.288 8.991 6.081 1.00 53.41 H new ATOM 0 HG11 VAL A 124 2.482 8.956 4.962 1.00 45.33 H new ATOM 0 HG12 VAL A 124 1.711 10.558 4.875 1.00 45.33 H new ATOM 0 HG13 VAL A 124 3.038 10.271 6.025 1.00 45.33 H new ATOM 0 HG21 VAL A 124 2.067 7.465 6.880 1.00 45.22 H new ATOM 0 HG22 VAL A 124 2.587 8.700 8.051 1.00 45.22 H new ATOM 0 HG23 VAL A 124 0.975 7.960 8.195 1.00 45.22 H new ATOM 2110 N GLY A 125 2.704 11.974 7.607 1.00 5.33 N ATOM 2111 CA GLY A 125 3.823 12.640 8.277 1.00 34.25 C ATOM 2112 C GLY A 125 4.731 11.707 9.083 1.00 20.50 C ATOM 2113 O GLY A 125 5.271 12.105 10.120 1.00 52.24 O ATOM 0 H GLY A 125 2.635 12.173 6.609 1.00 5.33 H new ATOM 0 HA2 GLY A 125 4.425 13.153 7.527 1.00 34.25 H new ATOM 0 HA3 GLY A 125 3.426 13.405 8.944 1.00 34.25 H new ATOM 2117 N SER A 126 4.920 10.473 8.611 1.00 52.02 N ATOM 2118 CA SER A 126 5.769 9.500 9.321 1.00 62.41 C ATOM 2119 C SER A 126 7.260 9.803 9.108 1.00 62.12 C ATOM 2120 O SER A 126 7.947 9.132 8.336 1.00 13.15 O ATOM 2121 CB SER A 126 5.454 8.062 8.879 1.00 1.21 C ATOM 2122 OG SER A 126 6.162 7.118 9.665 1.00 20.15 O ATOM 0 H SER A 126 4.503 10.121 7.749 1.00 52.02 H new ATOM 0 HA SER A 126 5.547 9.591 10.384 1.00 62.41 H new ATOM 0 HB2 SER A 126 4.383 7.879 8.963 1.00 1.21 H new ATOM 0 HB3 SER A 126 5.717 7.935 7.829 1.00 1.21 H new ATOM 0 HG SER A 126 5.942 6.212 9.364 1.00 20.15 H new ATOM 2128 N LEU A 127 7.737 10.858 9.769 1.00 72.53 N ATOM 2129 CA LEU A 127 9.149 11.259 9.703 1.00 14.44 C ATOM 2130 C LEU A 127 9.527 12.210 10.856 1.00 42.32 C ATOM 2131 O LEU A 127 10.604 12.813 10.849 1.00 70.12 O ATOM 2132 CB LEU A 127 9.456 11.905 8.333 1.00 53.52 C ATOM 2133 CG LEU A 127 8.476 13.004 7.854 1.00 63.44 C ATOM 2134 CD1 LEU A 127 8.619 14.291 8.666 1.00 74.33 C ATOM 2135 CD2 LEU A 127 8.672 13.287 6.366 1.00 34.42 C ATOM 0 H LEU A 127 7.163 11.457 10.362 1.00 72.53 H new ATOM 0 HA LEU A 127 9.758 10.362 9.813 1.00 14.44 H new ATOM 0 HB2 LEU A 127 10.457 12.335 8.375 1.00 53.52 H new ATOM 0 HB3 LEU A 127 9.479 11.116 7.581 1.00 53.52 H new ATOM 0 HG LEU A 127 7.465 12.628 8.012 1.00 63.44 H new ATOM 0 HD11 LEU A 127 7.913 15.035 8.296 1.00 74.33 H new ATOM 0 HD12 LEU A 127 8.411 14.084 9.716 1.00 74.33 H new ATOM 0 HD13 LEU A 127 9.635 14.674 8.566 1.00 74.33 H new ATOM 0 HD21 LEU A 127 7.974 14.062 6.048 1.00 34.42 H new ATOM 0 HD22 LEU A 127 9.694 13.624 6.191 1.00 34.42 H new ATOM 0 HD23 LEU A 127 8.488 12.377 5.795 1.00 34.42 H new ATOM 2147 N GLU A 128 8.650 12.317 11.854 1.00 54.32 N ATOM 2148 CA GLU A 128 8.837 13.265 12.958 1.00 64.14 C ATOM 2149 C GLU A 128 9.965 12.836 13.907 1.00 4.25 C ATOM 2150 O GLU A 128 10.233 11.645 14.081 1.00 41.13 O ATOM 2151 CB GLU A 128 7.533 13.414 13.761 1.00 64.34 C ATOM 2152 CG GLU A 128 7.610 14.456 14.882 1.00 10.21 C ATOM 2153 CD GLU A 128 6.370 14.484 15.763 1.00 63.23 C ATOM 2154 OE1 GLU A 128 5.258 14.682 15.232 1.00 33.00 O ATOM 2155 OE2 GLU A 128 6.501 14.315 16.996 1.00 65.33 O ATOM 0 H GLU A 128 7.800 11.758 11.923 1.00 54.32 H new ATOM 0 HA GLU A 128 9.114 14.220 12.511 1.00 64.14 H new ATOM 0 HB2 GLU A 128 6.727 13.687 13.079 1.00 64.34 H new ATOM 0 HB3 GLU A 128 7.272 12.448 14.193 1.00 64.34 H new ATOM 0 HG2 GLU A 128 8.483 14.249 15.501 1.00 10.21 H new ATOM 0 HG3 GLU A 128 7.757 15.442 14.442 1.00 10.21 H new ATOM 2162 N HIS A 129 10.620 13.823 14.514 1.00 35.44 N ATOM 2163 CA HIS A 129 11.601 13.578 15.571 1.00 42.02 C ATOM 2164 C HIS A 129 10.999 12.704 16.686 1.00 64.31 C ATOM 2165 O HIS A 129 9.981 13.062 17.285 1.00 22.02 O ATOM 2166 CB HIS A 129 12.094 14.920 16.147 1.00 50.15 C ATOM 2167 CG HIS A 129 10.987 15.851 16.561 1.00 43.01 C ATOM 2168 ND1 HIS A 129 10.493 16.839 15.738 1.00 22.24 N ATOM 2169 CD2 HIS A 129 10.269 15.936 17.710 1.00 43.31 C ATOM 2170 CE1 HIS A 129 9.525 17.486 16.354 1.00 31.04 C ATOM 2171 NE2 HIS A 129 9.371 16.961 17.548 1.00 50.33 N ATOM 0 H HIS A 129 10.488 14.809 14.290 1.00 35.44 H new ATOM 0 HA HIS A 129 12.447 13.041 15.143 1.00 42.02 H new ATOM 0 HB2 HIS A 129 12.730 14.722 17.010 1.00 50.15 H new ATOM 0 HB3 HIS A 129 12.714 15.418 15.402 1.00 50.15 H new ATOM 0 HD2 HIS A 129 10.383 15.315 18.586 1.00 43.31 H new ATOM 0 HE1 HIS A 129 8.955 18.308 15.947 1.00 31.04 H new ATOM 0 HE2 HIS A 129 8.692 17.267 18.245 1.00 50.33 H new ATOM 2180 N HIS A 130 11.618 11.554 16.955 1.00 74.51 N ATOM 2181 CA HIS A 130 11.115 10.642 17.989 1.00 40.32 C ATOM 2182 C HIS A 130 11.045 11.335 19.364 1.00 74.44 C ATOM 2183 O HIS A 130 12.052 11.496 20.057 1.00 25.22 O ATOM 2184 CB HIS A 130 11.959 9.351 18.055 1.00 14.45 C ATOM 2185 CG HIS A 130 13.440 9.567 18.158 1.00 35.24 C ATOM 2186 ND1 HIS A 130 14.058 10.057 19.284 1.00 22.01 N ATOM 2187 CD2 HIS A 130 14.432 9.337 17.264 1.00 4.03 C ATOM 2188 CE1 HIS A 130 15.356 10.127 19.082 1.00 33.34 C ATOM 2189 NE2 HIS A 130 15.611 9.696 17.865 1.00 42.21 N ATOM 0 H HIS A 130 12.460 11.232 16.478 1.00 74.51 H new ATOM 0 HA HIS A 130 10.099 10.359 17.712 1.00 40.32 H new ATOM 0 HB2 HIS A 130 11.632 8.764 18.913 1.00 14.45 H new ATOM 0 HB3 HIS A 130 11.755 8.755 17.165 1.00 14.45 H new ATOM 0 HD1 HIS A 130 13.582 10.326 20.145 1.00 22.01 H new ATOM 0 HD2 HIS A 130 14.316 8.944 16.265 1.00 4.03 H new ATOM 0 HE1 HIS A 130 16.088 10.478 19.794 1.00 33.34 H new ATOM 2198 N HIS A 131 9.845 11.770 19.738 1.00 21.23 N ATOM 2199 CA HIS A 131 9.643 12.492 20.996 1.00 51.33 C ATOM 2200 C HIS A 131 9.704 11.553 22.212 1.00 61.21 C ATOM 2201 O HIS A 131 8.724 10.898 22.567 1.00 21.12 O ATOM 2202 CB HIS A 131 8.320 13.281 20.958 1.00 53.44 C ATOM 2203 CG HIS A 131 7.133 12.487 20.491 1.00 12.23 C ATOM 2204 ND1 HIS A 131 6.669 12.514 19.189 1.00 72.31 N ATOM 2205 CD2 HIS A 131 6.304 11.649 21.158 1.00 73.32 C ATOM 2206 CE1 HIS A 131 5.614 11.731 19.082 1.00 32.12 C ATOM 2207 NE2 HIS A 131 5.375 11.196 20.260 1.00 53.13 N ATOM 0 H HIS A 131 8.996 11.636 19.189 1.00 21.23 H new ATOM 0 HA HIS A 131 10.461 13.203 21.108 1.00 51.33 H new ATOM 0 HB2 HIS A 131 8.113 13.667 21.956 1.00 53.44 H new ATOM 0 HB3 HIS A 131 8.445 14.143 20.303 1.00 53.44 H new ATOM 0 HD1 HIS A 131 7.080 13.056 18.429 1.00 72.31 H new ATOM 0 HD2 HIS A 131 6.365 11.387 22.204 1.00 73.32 H new ATOM 0 HE1 HIS A 131 5.043 11.558 18.181 1.00 32.12 H new ATOM 2216 N HIS A 132 10.881 11.473 22.825 1.00 14.23 N ATOM 2217 CA HIS A 132 11.083 10.665 24.033 1.00 63.10 C ATOM 2218 C HIS A 132 10.264 11.205 25.215 1.00 73.11 C ATOM 2219 O HIS A 132 9.915 12.387 25.253 1.00 14.01 O ATOM 2220 CB HIS A 132 12.568 10.657 24.419 1.00 24.21 C ATOM 2221 CG HIS A 132 13.087 12.009 24.820 1.00 64.15 C ATOM 2222 ND1 HIS A 132 13.270 12.391 26.132 1.00 65.33 N ATOM 2223 CD2 HIS A 132 13.449 13.078 24.071 1.00 35.25 C ATOM 2224 CE1 HIS A 132 13.717 13.629 26.172 1.00 23.42 C ATOM 2225 NE2 HIS A 132 13.836 14.068 24.939 1.00 4.32 N ATOM 0 H HIS A 132 11.718 11.960 22.505 1.00 14.23 H new ATOM 0 HA HIS A 132 10.748 9.652 23.810 1.00 63.10 H new ATOM 0 HB2 HIS A 132 12.718 9.959 25.243 1.00 24.21 H new ATOM 0 HB3 HIS A 132 13.153 10.286 23.577 1.00 24.21 H new ATOM 0 HD1 HIS A 132 13.087 11.805 26.946 1.00 65.33 H new ATOM 0 HD2 HIS A 132 13.436 13.140 22.993 1.00 35.25 H new ATOM 0 HE1 HIS A 132 13.947 14.189 27.067 1.00 23.42 H new ATOM 2234 N HIS A 133 9.973 10.345 26.185 1.00 33.20 N ATOM 2235 CA HIS A 133 9.338 10.792 27.425 1.00 51.23 C ATOM 2236 C HIS A 133 10.352 11.525 28.319 1.00 45.41 C ATOM 2237 O HIS A 133 11.560 11.487 28.070 1.00 32.30 O ATOM 2238 CB HIS A 133 8.708 9.615 28.181 1.00 3.14 C ATOM 2239 CG HIS A 133 7.547 8.992 27.460 1.00 53.52 C ATOM 2240 ND1 HIS A 133 6.384 9.677 27.167 1.00 35.23 N ATOM 2241 CD2 HIS A 133 7.374 7.744 26.965 1.00 73.15 C ATOM 2242 CE1 HIS A 133 5.552 8.879 26.529 1.00 24.35 C ATOM 2243 NE2 HIS A 133 6.128 7.705 26.393 1.00 30.00 N ATOM 0 H HIS A 133 10.163 9.344 26.141 1.00 33.20 H new ATOM 0 HA HIS A 133 8.541 11.487 27.161 1.00 51.23 H new ATOM 0 HB2 HIS A 133 9.470 8.854 28.352 1.00 3.14 H new ATOM 0 HB3 HIS A 133 8.375 9.959 29.160 1.00 3.14 H new ATOM 0 HD2 HIS A 133 8.084 6.931 27.012 1.00 73.15 H new ATOM 0 HE1 HIS A 133 4.566 9.144 26.178 1.00 24.35 H new ATOM 0 HE2 HIS A 133 5.714 6.893 25.935 1.00 30.00 H new ATOM 2252 N HIS A 134 9.855 12.188 29.357 1.00 70.15 N ATOM 2253 CA HIS A 134 10.698 13.015 30.234 1.00 44.42 C ATOM 2254 C HIS A 134 10.267 12.909 31.711 1.00 61.13 C ATOM 2255 O HIS A 134 9.122 13.302 32.035 1.00 38.46 O ATOM 2256 CB HIS A 134 10.661 14.477 29.765 1.00 51.32 C ATOM 2257 CG HIS A 134 9.274 14.989 29.517 1.00 63.35 C ATOM 2258 ND1 HIS A 134 8.508 15.602 30.485 1.00 51.45 N ATOM 2259 CD2 HIS A 134 8.506 14.956 28.404 1.00 0.30 C ATOM 2260 CE1 HIS A 134 7.334 15.916 29.980 1.00 5.13 C ATOM 2261 NE2 HIS A 134 7.304 15.538 28.720 1.00 64.32 N ATOM 2262 OXT HIS A 134 11.084 12.454 32.540 1.00 38.46 O ATOM 0 H HIS A 134 8.869 12.173 29.618 1.00 70.15 H new ATOM 0 HA HIS A 134 11.720 12.641 30.169 1.00 44.42 H new ATOM 0 HB2 HIS A 134 11.143 15.104 30.516 1.00 51.32 H new ATOM 0 HB3 HIS A 134 11.244 14.572 28.849 1.00 51.32 H new ATOM 0 HD2 HIS A 134 8.787 14.547 27.445 1.00 0.30 H new ATOM 0 HE1 HIS A 134 6.529 16.403 30.511 1.00 5.13 H new ATOM 0 HE2 HIS A 134 6.517 15.658 28.083 1.00 64.32 H new TER 2271 HIS A 134