USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1325 hydrogens (76 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 NoAdj-H: B 201 DAL H2 : B 201 DAL N : B 211 ALA C :(H bumps) USER MOD NoAdj-H: B 202 MLE H : B 202 MLE N : B 201 DAL C :(H bumps) USER MOD NoAdj-H: B 203 MLE H : B 203 MLE N : B 202 MLE C :(H bumps) USER MOD NoAdj-H: B 204 MVA H : B 204 MVA N : B 203 MLE C :(H bumps) USER MOD NoAdj-H: B 205 BMT H : B 205 BMT N : B 204 MVA C :(H bumps) USER MOD NoAdj-H: B 206 ABA HN2 : B 206 ABA N : B 205 BMT C :(H bumps) USER MOD NoAdj-H: B 207 SAR H : B 207 SAR N : B 206 ABA C :(H bumps) USER MOD NoAdj-H: B 208 MLE H : B 208 MLE N : B 207 SAR C :(H bumps) USER MOD NoAdj-H: B 210 MLE H : B 210 MLE N : B 209 VAL C :(H bumps) USER MOD Set 1.1: A 92 HIS : no HD1:sc= -6.71! C(o=-7.9!,f=-4.4!) USER MOD Set 1.2: A 99 SER OG : rot 140:sc= -1 USER MOD Set 1.3: A 115 CYS SG : rot 35:sc= -0.197 USER MOD Set 1.4: A 119 THR OG1 : rot 50:sc= 0.0147 USER MOD Set 2.1: A 48 TYR OH : rot 15:sc= 0.981 USER MOD Set 2.2: A 110 SER OG : rot -163:sc= 1.42! USER MOD Set 3.1: A 62 CYS SG : rot -150:sc= -0.694 USER MOD Set 3.2: A 63 GLN : amide:sc= -5.02 K(o=-5.7,f=-15!) USER MOD Set 3.3: A 142 MET CE :methyl -164:sc= -0.0173 (180deg=-0.185) USER MOD Set 4.1: A 54 HIS : no HD1:sc= -0.143 K(o=0.51,f=-0.2) USER MOD Set 4.2: A 111 GLN : amide:sc= 0.649 K(o=0.51,f=-6.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 1.37 (180deg=-0.579) USER MOD Single : A 3 ASN : amide:sc= 0.796 K(o=0.8,f=0) USER MOD Single : A 5 THR OG1 : rot -164:sc= 0.78 USER MOD Single : A 21 SER OG : rot 144:sc= -0.208! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 139:sc= 3.1 (180deg=-0.829) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.749 K(o=-0.75,f=-4.6!) USER MOD Single : A 40 SER OG : rot 71:sc= 1.11 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 1.01 (180deg=0.961) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.13) USER MOD Single : A 51 SER OG : rot 109:sc= 1.15 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.617 USER MOD Single : A 61 MET CE :methyl 166:sc= -0.679 (180deg=-1.55) USER MOD Single : A 68 THR OG1 : rot 141:sc= 0.152 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.023) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -147:sc= 1.28 (180deg=1.07) USER MOD Single : A 77 SER OG : rot 144:sc= 0.876! USER MOD Single : A 79 TYR OH : rot 174:sc= 0.825 USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= 1.04 (180deg=0.888) USER MOD Single : A 87 ASN : amide:sc= -0.737 K(o=-0.74,f=-4.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -106:sc= 0.0819 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.5) USER MOD Single : A 106 ASN : amide:sc= 0.67 K(o=0.67,f=-1.7) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.428 K(o=-0.43,f=-4.3!) USER MOD Single : A 116 THR OG1 : rot -167:sc= 0.496 USER MOD Single : A 118 LYS NZ :NH3+ 174:sc= 0.11 (180deg=-0.242) USER MOD Single : A 125 LYS NZ :NH3+ -128:sc= 1.28 (180deg=0.202) USER MOD Single : A 126 HIS : no HE2:sc= -8.94! C(o=-8.9!,f=-11!) USER MOD Single : A 131 LYS NZ :NH3+ -164:sc= 2.01 (180deg=1.24) USER MOD Single : A 133 LYS NZ :NH3+ -147:sc= 1.23 (180deg=1) USER MOD Single : A 136 MET CE :methyl -129:sc= -0.0103 (180deg=-0.354) USER MOD Single : A 137 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.0063) USER MOD Single : A 147 SER OG : rot 120:sc= 0.423 USER MOD Single : A 149 ASN : amide:sc= -0.257 K(o=-0.26,f=-3.5!) USER MOD Single : A 151 LYS NZ :NH3+ -114:sc= 0.94 (180deg=-1.09) USER MOD Single : A 152 THR OG1 : rot 5:sc= -0.579! USER MOD Single : A 153 SER OG : rot -84:sc= 1.05 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot -105:sc= -0.883 USER MOD Single : A 163 GLN : amide:sc= 1.17 K(o=1.2,f=-7.7!) USER MOD Single : B 205 BMT OG1 : rot -114:sc= -3.71! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.695 -18.903 -11.161 1.00 6.18 N ATOM 2 CA MET A 1 -2.950 -19.847 -10.086 1.00 5.47 C ATOM 3 C MET A 1 -1.904 -19.713 -8.978 1.00 3.79 C ATOM 4 O MET A 1 -0.862 -19.090 -9.176 1.00 3.81 O ATOM 5 CB MET A 1 -2.924 -21.273 -10.642 1.00 6.39 C ATOM 6 CG MET A 1 -1.622 -21.544 -11.398 1.00 6.28 C ATOM 7 SD MET A 1 -1.811 -21.108 -13.118 1.00 8.00 S ATOM 8 CE MET A 1 -0.174 -21.494 -13.718 1.00 8.45 C ATOM 0 H1 MET A 1 -3.431 -18.168 -11.159 1.00 6.18 H new ATOM 0 H2 MET A 1 -1.764 -18.461 -11.021 1.00 6.18 H new ATOM 0 H3 MET A 1 -2.708 -19.403 -12.073 1.00 6.18 H new ATOM 0 HA MET A 1 -3.930 -19.630 -9.662 1.00 5.47 H new ATOM 0 HB2 MET A 1 -3.030 -21.987 -9.825 1.00 6.39 H new ATOM 0 HB3 MET A 1 -3.773 -21.423 -11.308 1.00 6.39 H new ATOM 0 HG2 MET A 1 -0.809 -20.968 -10.956 1.00 6.28 H new ATOM 0 HG3 MET A 1 -1.353 -22.596 -11.309 1.00 6.28 H new ATOM 0 HE1 MET A 1 -0.117 -21.278 -14.785 1.00 8.45 H new ATOM 0 HE2 MET A 1 0.560 -20.889 -13.186 1.00 8.45 H new ATOM 0 HE3 MET A 1 0.036 -22.550 -13.550 1.00 8.45 H new ATOM 18 N VAL A 2 -2.218 -20.308 -7.837 1.00 3.43 N ATOM 19 CA VAL A 2 -1.319 -20.259 -6.695 1.00 2.69 C ATOM 20 C VAL A 2 -0.977 -18.801 -6.385 1.00 2.13 C ATOM 21 O VAL A 2 0.178 -18.392 -6.501 1.00 2.81 O ATOM 22 CB VAL A 2 -0.083 -21.119 -6.965 1.00 2.91 C ATOM 23 CG1 VAL A 2 0.753 -21.289 -5.695 1.00 3.83 C ATOM 24 CG2 VAL A 2 -0.477 -22.477 -7.548 1.00 3.72 C ATOM 0 H VAL A 2 -3.082 -20.827 -7.678 1.00 3.43 H new ATOM 0 HA VAL A 2 -1.801 -20.676 -5.810 1.00 2.69 H new ATOM 0 HB VAL A 2 0.530 -20.603 -7.704 1.00 2.91 H new ATOM 0 HG11 VAL A 2 1.626 -21.904 -5.914 1.00 3.83 H new ATOM 0 HG12 VAL A 2 1.078 -20.311 -5.340 1.00 3.83 H new ATOM 0 HG13 VAL A 2 0.152 -21.773 -4.926 1.00 3.83 H new ATOM 0 HG21 VAL A 2 0.420 -23.069 -7.731 1.00 3.72 H new ATOM 0 HG22 VAL A 2 -1.121 -23.003 -6.843 1.00 3.72 H new ATOM 0 HG23 VAL A 2 -1.011 -22.329 -8.486 1.00 3.72 H new ATOM 34 N ASN A 3 -2.000 -18.055 -5.995 1.00 1.86 N ATOM 35 CA ASN A 3 -1.817 -16.658 -5.642 1.00 1.43 C ATOM 36 C ASN A 3 -1.116 -16.567 -4.285 1.00 1.02 C ATOM 37 O ASN A 3 -1.581 -17.143 -3.301 1.00 1.09 O ATOM 38 CB ASN A 3 -3.162 -15.938 -5.528 1.00 1.65 C ATOM 39 CG ASN A 3 -3.830 -15.804 -6.897 1.00 1.98 C ATOM 40 OD1 ASN A 3 -4.543 -16.681 -7.357 1.00 3.43 O ATOM 41 ND2 ASN A 3 -3.561 -14.661 -7.521 1.00 2.03 N ATOM 0 H ASN A 3 -2.959 -18.392 -5.916 1.00 1.86 H new ATOM 0 HA ASN A 3 -1.221 -16.188 -6.424 1.00 1.43 H new ATOM 0 HB2 ASN A 3 -3.817 -16.488 -4.852 1.00 1.65 H new ATOM 0 HB3 ASN A 3 -3.014 -14.949 -5.094 1.00 1.65 H new ATOM 0 HD21 ASN A 3 -3.960 -14.476 -8.441 1.00 2.03 H new ATOM 0 HD22 ASN A 3 -2.956 -13.969 -7.079 1.00 2.03 H new ATOM 48 N PRO A 4 0.021 -15.821 -4.273 1.00 1.00 N ATOM 49 CA PRO A 4 0.730 -15.557 -3.033 1.00 1.01 C ATOM 50 C PRO A 4 -0.006 -14.511 -2.193 1.00 0.86 C ATOM 51 O PRO A 4 -0.664 -13.625 -2.735 1.00 1.01 O ATOM 52 CB PRO A 4 2.117 -15.105 -3.462 1.00 1.52 C ATOM 53 CG PRO A 4 1.988 -14.688 -4.919 1.00 1.72 C ATOM 54 CD PRO A 4 0.658 -15.212 -5.438 1.00 1.43 C ATOM 0 HA PRO A 4 0.792 -16.434 -2.389 1.00 1.01 H new ATOM 0 HB2 PRO A 4 2.465 -14.275 -2.847 1.00 1.52 H new ATOM 0 HB3 PRO A 4 2.843 -15.911 -3.349 1.00 1.52 H new ATOM 0 HG2 PRO A 4 2.033 -13.603 -5.011 1.00 1.72 H new ATOM 0 HG3 PRO A 4 2.813 -15.092 -5.506 1.00 1.72 H new ATOM 0 HD2 PRO A 4 0.048 -14.407 -5.848 1.00 1.43 H new ATOM 0 HD3 PRO A 4 0.803 -15.940 -6.236 1.00 1.43 H new ATOM 62 N THR A 5 0.132 -14.648 -0.882 1.00 0.86 N ATOM 63 CA THR A 5 -0.503 -13.720 0.038 1.00 0.77 C ATOM 64 C THR A 5 0.525 -13.159 1.022 1.00 0.79 C ATOM 65 O THR A 5 1.272 -13.914 1.643 1.00 0.77 O ATOM 66 CB THR A 5 -1.662 -14.448 0.720 1.00 0.81 C ATOM 67 OG1 THR A 5 -2.626 -14.615 -0.316 1.00 1.10 O ATOM 68 CG2 THR A 5 -2.374 -13.576 1.755 1.00 1.02 C ATOM 0 H THR A 5 0.674 -15.388 -0.435 1.00 0.86 H new ATOM 0 HA THR A 5 -0.909 -12.856 -0.489 1.00 0.77 H new ATOM 0 HB THR A 5 -1.289 -15.351 1.202 1.00 0.81 H new ATOM 0 HG1 THR A 5 -3.493 -14.846 0.078 1.00 1.10 H new ATOM 0 HG21 THR A 5 -3.188 -14.141 2.209 1.00 1.02 H new ATOM 0 HG22 THR A 5 -1.666 -13.276 2.527 1.00 1.02 H new ATOM 0 HG23 THR A 5 -2.777 -12.688 1.268 1.00 1.02 H new ATOM 76 N VAL A 6 0.529 -11.839 1.134 1.00 1.02 N ATOM 77 CA VAL A 6 1.487 -11.164 1.995 1.00 1.22 C ATOM 78 C VAL A 6 0.788 -10.727 3.284 1.00 1.14 C ATOM 79 O VAL A 6 -0.429 -10.556 3.307 1.00 1.06 O ATOM 80 CB VAL A 6 2.137 -10.001 1.244 1.00 1.34 C ATOM 81 CG1 VAL A 6 2.979 -10.508 0.070 1.00 1.76 C ATOM 82 CG2 VAL A 6 1.084 -8.997 0.770 1.00 1.63 C ATOM 0 H VAL A 6 -0.115 -11.219 0.644 1.00 1.02 H new ATOM 0 HA VAL A 6 2.292 -11.843 2.276 1.00 1.22 H new ATOM 0 HB VAL A 6 2.803 -9.486 1.936 1.00 1.34 H new ATOM 0 HG11 VAL A 6 3.430 -9.661 -0.447 1.00 1.76 H new ATOM 0 HG12 VAL A 6 3.764 -11.166 0.443 1.00 1.76 H new ATOM 0 HG13 VAL A 6 2.343 -11.059 -0.623 1.00 1.76 H new ATOM 0 HG21 VAL A 6 1.573 -8.180 0.239 1.00 1.63 H new ATOM 0 HG22 VAL A 6 0.381 -9.495 0.102 1.00 1.63 H new ATOM 0 HG23 VAL A 6 0.547 -8.600 1.631 1.00 1.63 H new ATOM 92 N PHE A 7 1.590 -10.560 4.326 1.00 1.33 N ATOM 93 CA PHE A 7 1.051 -10.399 5.665 1.00 1.39 C ATOM 94 C PHE A 7 1.388 -9.017 6.230 1.00 1.08 C ATOM 95 O PHE A 7 2.427 -8.446 5.902 1.00 1.42 O ATOM 96 CB PHE A 7 1.706 -11.468 6.543 1.00 2.28 C ATOM 97 CG PHE A 7 1.032 -11.655 7.903 1.00 0.85 C ATOM 98 CD1 PHE A 7 -0.312 -11.853 7.974 1.00 2.02 C ATOM 99 CD2 PHE A 7 1.776 -11.625 9.041 1.00 1.90 C ATOM 100 CE1 PHE A 7 -0.937 -12.028 9.237 1.00 3.47 C ATOM 101 CE2 PHE A 7 1.150 -11.800 10.304 1.00 2.60 C ATOM 102 CZ PHE A 7 -0.193 -11.998 10.375 1.00 3.40 C ATOM 0 H PHE A 7 2.608 -10.533 4.269 1.00 1.33 H new ATOM 0 HA PHE A 7 -0.034 -10.499 5.643 1.00 1.39 H new ATOM 0 HB2 PHE A 7 1.695 -12.419 6.010 1.00 2.28 H new ATOM 0 HB3 PHE A 7 2.752 -11.203 6.701 1.00 2.28 H new ATOM 0 HD1 PHE A 7 -0.903 -11.877 7.070 1.00 2.02 H new ATOM 0 HD2 PHE A 7 2.843 -11.468 8.984 1.00 1.90 H new ATOM 0 HE1 PHE A 7 -2.004 -12.185 9.294 1.00 3.47 H new ATOM 0 HE2 PHE A 7 1.741 -11.776 11.208 1.00 2.60 H new ATOM 0 HZ PHE A 7 -0.669 -12.131 11.335 1.00 3.40 H new ATOM 112 N PHE A 8 0.490 -8.521 7.068 1.00 0.89 N ATOM 113 CA PHE A 8 0.714 -7.251 7.739 1.00 0.73 C ATOM 114 C PHE A 8 -0.105 -7.160 9.028 1.00 0.73 C ATOM 115 O PHE A 8 -1.148 -7.799 9.152 1.00 1.39 O ATOM 116 CB PHE A 8 0.256 -6.151 6.779 1.00 0.97 C ATOM 117 CG PHE A 8 1.261 -5.836 5.669 1.00 1.07 C ATOM 118 CD1 PHE A 8 2.301 -4.994 5.911 1.00 2.14 C ATOM 119 CD2 PHE A 8 1.114 -6.398 4.440 1.00 2.36 C ATOM 120 CE1 PHE A 8 3.233 -4.702 4.881 1.00 2.89 C ATOM 121 CE2 PHE A 8 2.046 -6.107 3.409 1.00 3.12 C ATOM 122 CZ PHE A 8 3.086 -5.264 3.651 1.00 2.98 C ATOM 0 H PHE A 8 -0.394 -8.975 7.298 1.00 0.89 H new ATOM 0 HA PHE A 8 1.767 -7.150 8.001 1.00 0.73 H new ATOM 0 HB2 PHE A 8 -0.689 -6.449 6.325 1.00 0.97 H new ATOM 0 HB3 PHE A 8 0.063 -5.242 7.349 1.00 0.97 H new ATOM 0 HD1 PHE A 8 2.418 -4.547 6.887 1.00 2.14 H new ATOM 0 HD2 PHE A 8 0.288 -7.066 4.248 1.00 2.36 H new ATOM 0 HE1 PHE A 8 4.059 -4.033 5.074 1.00 2.89 H new ATOM 0 HE2 PHE A 8 1.929 -6.555 2.433 1.00 3.12 H new ATOM 0 HZ PHE A 8 3.795 -5.041 2.867 1.00 2.98 H new ATOM 132 N ASP A 9 0.400 -6.359 9.956 1.00 0.68 N ATOM 133 CA ASP A 9 -0.300 -6.133 11.209 1.00 0.62 C ATOM 134 C ASP A 9 -0.201 -4.652 11.583 1.00 0.60 C ATOM 135 O ASP A 9 0.869 -4.055 11.485 1.00 0.68 O ATOM 136 CB ASP A 9 0.322 -6.949 12.343 1.00 0.68 C ATOM 137 CG ASP A 9 -0.392 -6.831 13.691 1.00 1.10 C ATOM 138 OD1 ASP A 9 -0.204 -5.780 14.343 1.00 2.26 O ATOM 139 OD2 ASP A 9 -1.109 -7.793 14.041 1.00 1.84 O ATOM 0 H ASP A 9 1.285 -5.859 9.865 1.00 0.68 H new ATOM 0 HA ASP A 9 -1.338 -6.436 11.074 1.00 0.62 H new ATOM 0 HB2 ASP A 9 0.339 -7.998 12.048 1.00 0.68 H new ATOM 0 HB3 ASP A 9 1.359 -6.636 12.469 1.00 0.68 H new ATOM 144 N ILE A 10 -1.331 -4.104 12.003 1.00 0.58 N ATOM 145 CA ILE A 10 -1.393 -2.696 12.358 1.00 0.63 C ATOM 146 C ILE A 10 -1.408 -2.559 13.882 1.00 0.71 C ATOM 147 O ILE A 10 -2.015 -3.373 14.575 1.00 0.86 O ATOM 148 CB ILE A 10 -2.581 -2.022 11.667 1.00 0.70 C ATOM 149 CG1 ILE A 10 -2.306 -1.821 10.175 1.00 0.98 C ATOM 150 CG2 ILE A 10 -2.948 -0.710 12.364 1.00 0.98 C ATOM 151 CD1 ILE A 10 -2.178 -3.164 9.456 1.00 0.99 C ATOM 0 H ILE A 10 -2.211 -4.609 12.106 1.00 0.58 H new ATOM 0 HA ILE A 10 -0.507 -2.173 12.000 1.00 0.63 H new ATOM 0 HB ILE A 10 -3.444 -2.683 11.749 1.00 0.70 H new ATOM 0 HG12 ILE A 10 -3.113 -1.240 9.728 1.00 0.98 H new ATOM 0 HG13 ILE A 10 -1.389 -1.246 10.045 1.00 0.98 H new ATOM 0 HG21 ILE A 10 -3.795 -0.251 11.854 1.00 0.98 H new ATOM 0 HG22 ILE A 10 -3.215 -0.911 13.401 1.00 0.98 H new ATOM 0 HG23 ILE A 10 -2.096 -0.031 12.334 1.00 0.98 H new ATOM 0 HD11 ILE A 10 -1.983 -2.993 8.397 1.00 0.99 H new ATOM 0 HD12 ILE A 10 -1.355 -3.732 9.890 1.00 0.99 H new ATOM 0 HD13 ILE A 10 -3.105 -3.726 9.568 1.00 0.99 H new ATOM 163 N ALA A 11 -0.735 -1.521 14.357 1.00 0.72 N ATOM 164 CA ALA A 11 -0.724 -1.225 15.780 1.00 0.79 C ATOM 165 C ALA A 11 -1.099 0.244 15.993 1.00 0.78 C ATOM 166 O ALA A 11 -0.442 1.138 15.463 1.00 0.79 O ATOM 167 CB ALA A 11 0.649 -1.567 16.362 1.00 0.88 C ATOM 0 H ALA A 11 -0.194 -0.875 13.782 1.00 0.72 H new ATOM 0 HA ALA A 11 -1.461 -1.833 16.305 1.00 0.79 H new ATOM 0 HB1 ALA A 11 0.657 -1.345 17.429 1.00 0.88 H new ATOM 0 HB2 ALA A 11 0.855 -2.627 16.210 1.00 0.88 H new ATOM 0 HB3 ALA A 11 1.414 -0.973 15.862 1.00 0.88 H new ATOM 173 N VAL A 12 -2.152 0.445 16.769 1.00 0.86 N ATOM 174 CA VAL A 12 -2.601 1.790 17.088 1.00 0.92 C ATOM 175 C VAL A 12 -2.170 2.143 18.513 1.00 1.01 C ATOM 176 O VAL A 12 -2.840 1.774 19.477 1.00 1.10 O ATOM 177 CB VAL A 12 -4.112 1.902 16.875 1.00 1.00 C ATOM 178 CG1 VAL A 12 -4.647 3.225 17.427 1.00 1.30 C ATOM 179 CG2 VAL A 12 -4.471 1.740 15.397 1.00 0.89 C ATOM 0 H VAL A 12 -2.708 -0.301 17.187 1.00 0.86 H new ATOM 0 HA VAL A 12 -2.138 2.516 16.419 1.00 0.92 H new ATOM 0 HB VAL A 12 -4.589 1.092 17.426 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -5.723 3.279 17.263 1.00 1.30 H new ATOM 0 HG12 VAL A 12 -4.440 3.284 18.495 1.00 1.30 H new ATOM 0 HG13 VAL A 12 -4.160 4.056 16.917 1.00 1.30 H new ATOM 0 HG21 VAL A 12 -5.551 1.824 15.274 1.00 0.89 H new ATOM 0 HG22 VAL A 12 -3.978 2.519 14.815 1.00 0.89 H new ATOM 0 HG23 VAL A 12 -4.141 0.762 15.047 1.00 0.89 H new ATOM 189 N ASP A 13 -1.054 2.852 18.602 1.00 1.01 N ATOM 190 CA ASP A 13 -0.540 3.280 19.892 1.00 1.10 C ATOM 191 C ASP A 13 -0.450 2.072 20.826 1.00 1.16 C ATOM 192 O ASP A 13 -1.359 1.825 21.617 1.00 1.24 O ATOM 193 CB ASP A 13 -1.468 4.310 20.539 1.00 1.17 C ATOM 194 CG ASP A 13 -1.692 5.583 19.721 1.00 1.39 C ATOM 195 OD1 ASP A 13 -2.373 5.475 18.678 1.00 2.04 O ATOM 196 OD2 ASP A 13 -1.178 6.635 20.157 1.00 2.50 O ATOM 0 H ASP A 13 -0.491 3.141 17.802 1.00 1.01 H new ATOM 0 HA ASP A 13 0.441 3.727 19.733 1.00 1.10 H new ATOM 0 HB2 ASP A 13 -2.434 3.841 20.724 1.00 1.17 H new ATOM 0 HB3 ASP A 13 -1.057 4.588 21.510 1.00 1.17 H new ATOM 201 N GLY A 14 0.655 1.351 20.704 1.00 1.18 N ATOM 202 CA GLY A 14 0.942 0.259 21.618 1.00 1.30 C ATOM 203 C GLY A 14 -0.277 -0.653 21.781 1.00 1.34 C ATOM 204 O GLY A 14 -0.568 -1.117 22.882 1.00 1.47 O ATOM 0 H GLY A 14 1.363 1.502 19.985 1.00 1.18 H new ATOM 0 HA2 GLY A 14 1.787 -0.320 21.245 1.00 1.30 H new ATOM 0 HA3 GLY A 14 1.234 0.659 22.589 1.00 1.30 H new ATOM 208 N GLU A 15 -0.957 -0.882 20.667 1.00 1.24 N ATOM 209 CA GLU A 15 -2.094 -1.787 20.657 1.00 1.31 C ATOM 210 C GLU A 15 -2.251 -2.427 19.277 1.00 1.24 C ATOM 211 O GLU A 15 -2.408 -1.726 18.278 1.00 1.25 O ATOM 212 CB GLU A 15 -3.376 -1.063 21.075 1.00 1.37 C ATOM 213 CG GLU A 15 -4.495 -2.060 21.379 1.00 1.51 C ATOM 214 CD GLU A 15 -5.810 -1.336 21.669 1.00 1.71 C ATOM 215 OE1 GLU A 15 -6.349 -0.734 20.715 1.00 2.70 O ATOM 216 OE2 GLU A 15 -6.248 -1.400 22.839 1.00 2.69 O ATOM 0 H GLU A 15 -0.742 -0.457 19.765 1.00 1.24 H new ATOM 0 HA GLU A 15 -1.910 -2.578 21.384 1.00 1.31 H new ATOM 0 HB2 GLU A 15 -3.181 -0.450 21.955 1.00 1.37 H new ATOM 0 HB3 GLU A 15 -3.692 -0.388 20.280 1.00 1.37 H new ATOM 0 HG2 GLU A 15 -4.626 -2.734 20.533 1.00 1.51 H new ATOM 0 HG3 GLU A 15 -4.217 -2.674 22.236 1.00 1.51 H new ATOM 223 N PRO A 16 -2.201 -3.786 19.263 1.00 1.18 N ATOM 224 CA PRO A 16 -2.343 -4.528 18.022 1.00 1.12 C ATOM 225 C PRO A 16 -3.801 -4.543 17.556 1.00 1.09 C ATOM 226 O PRO A 16 -4.668 -5.092 18.234 1.00 1.08 O ATOM 227 CB PRO A 16 -1.804 -5.916 18.330 1.00 1.12 C ATOM 228 CG PRO A 16 -1.812 -6.040 19.845 1.00 1.16 C ATOM 229 CD PRO A 16 -2.009 -4.648 20.425 1.00 1.19 C ATOM 0 HA PRO A 16 -1.794 -4.076 17.196 1.00 1.12 H new ATOM 0 HB2 PRO A 16 -2.424 -6.686 17.872 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -0.796 -6.041 17.933 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -2.612 -6.706 20.169 1.00 1.16 H new ATOM 0 HG3 PRO A 16 -0.875 -6.472 20.198 1.00 1.16 H new ATOM 0 HD2 PRO A 16 -2.872 -4.615 21.090 1.00 1.19 H new ATOM 0 HD3 PRO A 16 -1.144 -4.337 21.010 1.00 1.19 H new ATOM 237 N LEU A 17 -4.025 -3.933 16.402 1.00 1.12 N ATOM 238 CA LEU A 17 -5.367 -3.846 15.850 1.00 1.14 C ATOM 239 C LEU A 17 -5.829 -5.240 15.423 1.00 1.09 C ATOM 240 O LEU A 17 -6.964 -5.630 15.691 1.00 1.11 O ATOM 241 CB LEU A 17 -5.417 -2.810 14.725 1.00 1.28 C ATOM 242 CG LEU A 17 -6.490 -1.727 14.858 1.00 1.10 C ATOM 243 CD1 LEU A 17 -7.893 -2.337 14.813 1.00 1.44 C ATOM 244 CD2 LEU A 17 -6.271 -0.889 16.118 1.00 2.20 C ATOM 0 H LEU A 17 -3.301 -3.494 15.834 1.00 1.12 H new ATOM 0 HA LEU A 17 -6.069 -3.495 16.607 1.00 1.14 H new ATOM 0 HB2 LEU A 17 -4.444 -2.323 14.662 1.00 1.28 H new ATOM 0 HB3 LEU A 17 -5.573 -3.334 13.782 1.00 1.28 H new ATOM 0 HG LEU A 17 -6.403 -1.054 14.005 1.00 1.10 H new ATOM 0 HD11 LEU A 17 -8.637 -1.546 14.910 1.00 1.44 H new ATOM 0 HD12 LEU A 17 -8.035 -2.854 13.864 1.00 1.44 H new ATOM 0 HD13 LEU A 17 -8.008 -3.046 15.633 1.00 1.44 H new ATOM 0 HD21 LEU A 17 -7.047 -0.127 16.188 1.00 2.20 H new ATOM 0 HD22 LEU A 17 -6.315 -1.534 16.996 1.00 2.20 H new ATOM 0 HD23 LEU A 17 -5.294 -0.408 16.070 1.00 2.20 H new ATOM 256 N GLY A 18 -4.926 -5.952 14.765 1.00 1.10 N ATOM 257 CA GLY A 18 -5.208 -7.314 14.346 1.00 1.19 C ATOM 258 C GLY A 18 -4.537 -7.626 13.007 1.00 1.02 C ATOM 259 O GLY A 18 -3.610 -6.931 12.597 1.00 1.06 O ATOM 0 H GLY A 18 -3.999 -5.611 14.512 1.00 1.10 H new ATOM 0 HA2 GLY A 18 -4.855 -8.012 15.105 1.00 1.19 H new ATOM 0 HA3 GLY A 18 -6.285 -7.456 14.259 1.00 1.19 H new ATOM 263 N ARG A 19 -5.033 -8.673 12.363 1.00 1.01 N ATOM 264 CA ARG A 19 -4.368 -9.213 11.189 1.00 1.08 C ATOM 265 C ARG A 19 -4.797 -8.446 9.936 1.00 0.81 C ATOM 266 O ARG A 19 -5.957 -8.059 9.809 1.00 1.03 O ATOM 267 CB ARG A 19 -4.690 -10.697 11.006 1.00 1.40 C ATOM 268 CG ARG A 19 -4.813 -11.053 9.523 1.00 2.97 C ATOM 269 CD ARG A 19 -5.120 -12.540 9.341 1.00 4.30 C ATOM 270 NE ARG A 19 -5.555 -12.800 7.950 1.00 6.28 N ATOM 271 CZ ARG A 19 -6.613 -12.215 7.372 1.00 7.99 C ATOM 272 NH1 ARG A 19 -7.631 -11.779 8.125 1.00 8.41 N ATOM 273 NH2 ARG A 19 -6.652 -12.068 6.041 1.00 9.82 N ATOM 0 H ARG A 19 -5.887 -9.161 12.632 1.00 1.01 H new ATOM 0 HA ARG A 19 -3.294 -9.103 11.337 1.00 1.08 H new ATOM 0 HB2 ARG A 19 -3.908 -11.302 11.465 1.00 1.40 H new ATOM 0 HB3 ARG A 19 -5.621 -10.937 11.520 1.00 1.40 H new ATOM 0 HG2 ARG A 19 -5.603 -10.456 9.066 1.00 2.97 H new ATOM 0 HG3 ARG A 19 -3.886 -10.803 9.007 1.00 2.97 H new ATOM 0 HD2 ARG A 19 -4.235 -13.133 9.571 1.00 4.30 H new ATOM 0 HD3 ARG A 19 -5.900 -12.847 10.038 1.00 4.30 H new ATOM 0 HE ARG A 19 -5.016 -13.466 7.397 1.00 6.28 H new ATOM 0 HH11 ARG A 19 -7.601 -11.892 9.138 1.00 8.41 H new ATOM 0 HH12 ARG A 19 -8.436 -11.334 7.685 1.00 8.41 H new ATOM 0 HH21 ARG A 19 -5.877 -12.401 5.468 1.00 9.82 H new ATOM 0 HH22 ARG A 19 -7.457 -11.623 5.600 1.00 9.82 H new ATOM 287 N VAL A 20 -3.838 -8.251 9.043 1.00 1.12 N ATOM 288 CA VAL A 20 -4.151 -7.806 7.695 1.00 1.22 C ATOM 289 C VAL A 20 -3.303 -8.593 6.693 1.00 1.44 C ATOM 290 O VAL A 20 -2.135 -8.877 6.951 1.00 2.53 O ATOM 291 CB VAL A 20 -3.954 -6.292 7.585 1.00 1.43 C ATOM 292 CG1 VAL A 20 -4.137 -5.820 6.142 1.00 1.80 C ATOM 293 CG2 VAL A 20 -4.899 -5.547 8.530 1.00 1.21 C ATOM 0 H VAL A 20 -2.845 -8.393 9.226 1.00 1.12 H new ATOM 0 HA VAL A 20 -5.197 -8.003 7.461 1.00 1.22 H new ATOM 0 HB VAL A 20 -2.931 -6.063 7.885 1.00 1.43 H new ATOM 0 HG11 VAL A 20 -3.992 -4.741 6.091 1.00 1.80 H new ATOM 0 HG12 VAL A 20 -3.407 -6.315 5.502 1.00 1.80 H new ATOM 0 HG13 VAL A 20 -5.143 -6.067 5.803 1.00 1.80 H new ATOM 0 HG21 VAL A 20 -4.739 -4.473 8.433 1.00 1.21 H new ATOM 0 HG22 VAL A 20 -5.932 -5.785 8.274 1.00 1.21 H new ATOM 0 HG23 VAL A 20 -4.701 -5.852 9.558 1.00 1.21 H new ATOM 303 N SER A 21 -3.925 -8.924 5.572 1.00 0.92 N ATOM 304 CA SER A 21 -3.238 -9.656 4.522 1.00 1.02 C ATOM 305 C SER A 21 -3.787 -9.249 3.153 1.00 0.80 C ATOM 306 O SER A 21 -4.955 -8.885 3.033 1.00 0.75 O ATOM 307 CB SER A 21 -3.378 -11.167 4.722 1.00 1.38 C ATOM 308 OG SER A 21 -4.720 -11.608 4.532 1.00 1.77 O ATOM 0 H SER A 21 -4.899 -8.699 5.367 1.00 0.92 H new ATOM 0 HA SER A 21 -2.178 -9.406 4.569 1.00 1.02 H new ATOM 0 HB2 SER A 21 -2.723 -11.688 4.023 1.00 1.38 H new ATOM 0 HB3 SER A 21 -3.048 -11.432 5.726 1.00 1.38 H new ATOM 0 HG SER A 21 -4.717 -12.490 4.105 1.00 1.77 H new ATOM 314 N PHE A 22 -2.917 -9.324 2.157 1.00 0.80 N ATOM 315 CA PHE A 22 -3.312 -9.011 0.793 1.00 0.64 C ATOM 316 C PHE A 22 -2.872 -10.115 -0.171 1.00 0.67 C ATOM 317 O PHE A 22 -1.729 -10.566 -0.124 1.00 1.08 O ATOM 318 CB PHE A 22 -2.610 -7.706 0.412 1.00 0.74 C ATOM 319 CG PHE A 22 -2.745 -6.598 1.459 1.00 0.71 C ATOM 320 CD1 PHE A 22 -3.977 -6.232 1.906 1.00 1.87 C ATOM 321 CD2 PHE A 22 -1.634 -5.980 1.943 1.00 2.05 C ATOM 322 CE1 PHE A 22 -4.102 -5.203 2.877 1.00 1.81 C ATOM 323 CE2 PHE A 22 -1.760 -4.952 2.913 1.00 2.17 C ATOM 324 CZ PHE A 22 -2.991 -4.585 3.361 1.00 0.87 C ATOM 0 H PHE A 22 -1.940 -9.597 2.266 1.00 0.80 H new ATOM 0 HA PHE A 22 -4.397 -8.922 0.730 1.00 0.64 H new ATOM 0 HB2 PHE A 22 -1.552 -7.909 0.247 1.00 0.74 H new ATOM 0 HB3 PHE A 22 -3.017 -7.349 -0.534 1.00 0.74 H new ATOM 0 HD1 PHE A 22 -4.859 -6.724 1.523 1.00 1.87 H new ATOM 0 HD2 PHE A 22 -0.656 -6.272 1.589 1.00 2.05 H new ATOM 0 HE1 PHE A 22 -5.080 -4.911 3.231 1.00 1.81 H new ATOM 0 HE2 PHE A 22 -0.878 -4.461 3.296 1.00 2.17 H new ATOM 0 HZ PHE A 22 -3.086 -3.804 4.100 1.00 0.87 H new ATOM 334 N GLU A 23 -3.803 -10.515 -1.025 1.00 0.47 N ATOM 335 CA GLU A 23 -3.512 -11.526 -2.028 1.00 0.50 C ATOM 336 C GLU A 23 -3.080 -10.863 -3.338 1.00 0.78 C ATOM 337 O GLU A 23 -3.770 -9.984 -3.850 1.00 1.70 O ATOM 338 CB GLU A 23 -4.717 -12.442 -2.249 1.00 0.72 C ATOM 339 CG GLU A 23 -5.331 -12.870 -0.914 1.00 2.03 C ATOM 340 CD GLU A 23 -5.801 -14.326 -0.968 1.00 2.97 C ATOM 341 OE1 GLU A 23 -6.561 -14.643 -1.908 1.00 2.87 O ATOM 342 OE2 GLU A 23 -5.388 -15.089 -0.067 1.00 4.38 O ATOM 0 H GLU A 23 -4.758 -10.158 -1.043 1.00 0.47 H new ATOM 0 HA GLU A 23 -2.690 -12.143 -1.666 1.00 0.50 H new ATOM 0 HB2 GLU A 23 -5.466 -11.925 -2.849 1.00 0.72 H new ATOM 0 HB3 GLU A 23 -4.410 -13.324 -2.812 1.00 0.72 H new ATOM 0 HG2 GLU A 23 -4.597 -12.750 -0.117 1.00 2.03 H new ATOM 0 HG3 GLU A 23 -6.173 -12.221 -0.672 1.00 2.03 H new ATOM 349 N LEU A 24 -1.940 -11.311 -3.843 1.00 0.68 N ATOM 350 CA LEU A 24 -1.318 -10.661 -4.983 1.00 0.81 C ATOM 351 C LEU A 24 -1.615 -11.466 -6.249 1.00 0.86 C ATOM 352 O LEU A 24 -1.907 -12.659 -6.177 1.00 1.26 O ATOM 353 CB LEU A 24 0.175 -10.444 -4.728 1.00 0.98 C ATOM 354 CG LEU A 24 0.537 -9.741 -3.419 1.00 0.94 C ATOM 355 CD1 LEU A 24 2.047 -9.515 -3.317 1.00 1.71 C ATOM 356 CD2 LEU A 24 -0.251 -8.440 -3.258 1.00 2.15 C ATOM 0 H LEU A 24 -1.430 -12.118 -3.483 1.00 0.68 H new ATOM 0 HA LEU A 24 -1.740 -9.667 -5.131 1.00 0.81 H new ATOM 0 HB2 LEU A 24 0.671 -11.414 -4.745 1.00 0.98 H new ATOM 0 HB3 LEU A 24 0.584 -9.863 -5.554 1.00 0.98 H new ATOM 0 HG LEU A 24 0.253 -10.392 -2.592 1.00 0.94 H new ATOM 0 HD11 LEU A 24 2.277 -9.014 -2.377 1.00 1.71 H new ATOM 0 HD12 LEU A 24 2.562 -10.475 -3.352 1.00 1.71 H new ATOM 0 HD13 LEU A 24 2.379 -8.895 -4.150 1.00 1.71 H new ATOM 0 HD21 LEU A 24 0.026 -7.961 -2.319 1.00 2.15 H new ATOM 0 HD22 LEU A 24 -0.023 -7.771 -4.088 1.00 2.15 H new ATOM 0 HD23 LEU A 24 -1.319 -8.660 -3.252 1.00 2.15 H new ATOM 368 N PHE A 25 -1.534 -10.780 -7.380 1.00 0.70 N ATOM 369 CA PHE A 25 -1.701 -11.436 -8.666 1.00 0.70 C ATOM 370 C PHE A 25 -0.358 -11.589 -9.383 1.00 0.68 C ATOM 371 O PHE A 25 -0.140 -10.989 -10.434 1.00 0.87 O ATOM 372 CB PHE A 25 -2.616 -10.543 -9.508 1.00 0.76 C ATOM 373 CG PHE A 25 -3.930 -10.174 -8.818 1.00 0.82 C ATOM 374 CD1 PHE A 25 -4.630 -11.119 -8.135 1.00 1.58 C ATOM 375 CD2 PHE A 25 -4.399 -8.899 -8.886 1.00 2.38 C ATOM 376 CE1 PHE A 25 -5.850 -10.776 -7.495 1.00 1.55 C ATOM 377 CE2 PHE A 25 -5.619 -8.555 -8.245 1.00 2.67 C ATOM 378 CZ PHE A 25 -6.318 -9.501 -7.563 1.00 1.43 C ATOM 0 H PHE A 25 -1.355 -9.777 -7.432 1.00 0.70 H new ATOM 0 HA PHE A 25 -2.122 -12.431 -8.524 1.00 0.70 H new ATOM 0 HB2 PHE A 25 -2.081 -9.628 -9.761 1.00 0.76 H new ATOM 0 HB3 PHE A 25 -2.840 -11.051 -10.446 1.00 0.76 H new ATOM 0 HD1 PHE A 25 -4.258 -12.131 -8.079 1.00 1.58 H new ATOM 0 HD2 PHE A 25 -3.843 -8.148 -9.428 1.00 2.38 H new ATOM 0 HE1 PHE A 25 -6.406 -11.527 -6.954 1.00 1.55 H new ATOM 0 HE2 PHE A 25 -5.991 -7.543 -8.299 1.00 2.67 H new ATOM 0 HZ PHE A 25 -7.245 -9.240 -7.075 1.00 1.43 H new ATOM 388 N ALA A 26 0.507 -12.395 -8.786 1.00 0.57 N ATOM 389 CA ALA A 26 1.841 -12.594 -9.326 1.00 0.60 C ATOM 390 C ALA A 26 1.734 -13.176 -10.737 1.00 0.69 C ATOM 391 O ALA A 26 2.597 -12.936 -11.579 1.00 0.95 O ATOM 392 CB ALA A 26 2.645 -13.494 -8.384 1.00 0.66 C ATOM 0 H ALA A 26 0.310 -12.918 -7.933 1.00 0.57 H new ATOM 0 HA ALA A 26 2.370 -11.644 -9.400 1.00 0.60 H new ATOM 0 HB1 ALA A 26 3.646 -13.643 -8.789 1.00 0.66 H new ATOM 0 HB2 ALA A 26 2.717 -13.023 -7.404 1.00 0.66 H new ATOM 0 HB3 ALA A 26 2.145 -14.458 -8.287 1.00 0.66 H new ATOM 398 N ASP A 27 0.666 -13.929 -10.952 1.00 0.71 N ATOM 399 CA ASP A 27 0.455 -14.580 -12.233 1.00 0.80 C ATOM 400 C ASP A 27 0.324 -13.518 -13.325 1.00 0.86 C ATOM 401 O ASP A 27 0.871 -13.673 -14.417 1.00 1.36 O ATOM 402 CB ASP A 27 -0.831 -15.412 -12.225 1.00 0.94 C ATOM 403 CG ASP A 27 -1.188 -16.064 -13.562 1.00 1.18 C ATOM 404 OD1 ASP A 27 -0.646 -17.161 -13.820 1.00 1.90 O ATOM 405 OD2 ASP A 27 -1.993 -15.452 -14.295 1.00 2.03 O ATOM 0 H ASP A 27 -0.063 -14.103 -10.260 1.00 0.71 H new ATOM 0 HA ASP A 27 1.306 -15.234 -12.422 1.00 0.80 H new ATOM 0 HB2 ASP A 27 -0.736 -16.193 -11.471 1.00 0.94 H new ATOM 0 HB3 ASP A 27 -1.658 -14.772 -11.918 1.00 0.94 H new ATOM 410 N LYS A 28 -0.404 -12.462 -12.994 1.00 0.89 N ATOM 411 CA LYS A 28 -0.720 -11.434 -13.973 1.00 1.03 C ATOM 412 C LYS A 28 0.405 -10.398 -14.000 1.00 0.94 C ATOM 413 O LYS A 28 0.821 -9.955 -15.068 1.00 1.03 O ATOM 414 CB LYS A 28 -2.100 -10.836 -13.694 1.00 1.22 C ATOM 415 CG LYS A 28 -3.203 -11.872 -13.923 1.00 1.41 C ATOM 416 CD LYS A 28 -4.584 -11.272 -13.651 1.00 2.02 C ATOM 417 CE LYS A 28 -5.692 -12.266 -14.002 1.00 2.28 C ATOM 418 NZ LYS A 28 -7.022 -11.689 -13.699 1.00 3.68 N ATOM 0 H LYS A 28 -0.784 -12.295 -12.062 1.00 0.89 H new ATOM 0 HA LYS A 28 -0.780 -11.865 -14.972 1.00 1.03 H new ATOM 0 HB2 LYS A 28 -2.143 -10.475 -12.666 1.00 1.22 H new ATOM 0 HB3 LYS A 28 -2.265 -9.975 -14.342 1.00 1.22 H new ATOM 0 HG2 LYS A 28 -3.157 -12.237 -14.949 1.00 1.41 H new ATOM 0 HG3 LYS A 28 -3.041 -12.731 -13.272 1.00 1.41 H new ATOM 0 HD2 LYS A 28 -4.662 -10.991 -12.601 1.00 2.02 H new ATOM 0 HD3 LYS A 28 -4.710 -10.360 -14.235 1.00 2.02 H new ATOM 0 HE2 LYS A 28 -5.634 -12.526 -15.059 1.00 2.28 H new ATOM 0 HE3 LYS A 28 -5.553 -13.189 -13.439 1.00 2.28 H new ATOM 0 HZ1 LYS A 28 -7.763 -12.377 -13.943 1.00 3.68 H new ATOM 0 HZ2 LYS A 28 -7.080 -11.463 -12.685 1.00 3.68 H new ATOM 0 HZ3 LYS A 28 -7.159 -10.821 -14.255 1.00 3.68 H new ATOM 432 N VAL A 29 0.866 -10.042 -12.809 1.00 0.84 N ATOM 433 CA VAL A 29 1.869 -8.998 -12.677 1.00 0.86 C ATOM 434 C VAL A 29 2.930 -9.442 -11.668 1.00 0.86 C ATOM 435 O VAL A 29 2.784 -9.219 -10.468 1.00 0.86 O ATOM 436 CB VAL A 29 1.200 -7.675 -12.297 1.00 0.87 C ATOM 437 CG1 VAL A 29 0.664 -6.956 -13.538 1.00 0.99 C ATOM 438 CG2 VAL A 29 0.089 -7.897 -11.269 1.00 0.93 C ATOM 0 H VAL A 29 0.564 -10.457 -11.928 1.00 0.84 H new ATOM 0 HA VAL A 29 2.374 -8.830 -13.628 1.00 0.86 H new ATOM 0 HB VAL A 29 1.956 -7.037 -11.840 1.00 0.87 H new ATOM 0 HG11 VAL A 29 0.193 -6.019 -13.241 1.00 0.99 H new ATOM 0 HG12 VAL A 29 1.487 -6.748 -14.222 1.00 0.99 H new ATOM 0 HG13 VAL A 29 -0.071 -7.589 -14.036 1.00 0.99 H new ATOM 0 HG21 VAL A 29 -0.370 -6.941 -11.017 1.00 0.93 H new ATOM 0 HG22 VAL A 29 -0.666 -8.562 -11.687 1.00 0.93 H new ATOM 0 HG23 VAL A 29 0.510 -8.346 -10.369 1.00 0.93 H new ATOM 448 N PRO A 30 4.005 -10.079 -12.208 1.00 1.00 N ATOM 449 CA PRO A 30 5.229 -10.257 -11.446 1.00 1.31 C ATOM 450 C PRO A 30 6.010 -8.944 -11.351 1.00 1.67 C ATOM 451 O PRO A 30 5.523 -7.896 -11.771 1.00 3.40 O ATOM 452 CB PRO A 30 5.991 -11.351 -12.176 1.00 1.51 C ATOM 453 CG PRO A 30 5.389 -11.419 -13.570 1.00 1.35 C ATOM 454 CD PRO A 30 4.081 -10.645 -13.551 1.00 1.06 C ATOM 0 HA PRO A 30 5.043 -10.543 -10.411 1.00 1.31 H new ATOM 0 HB2 PRO A 30 7.056 -11.122 -12.221 1.00 1.51 H new ATOM 0 HB3 PRO A 30 5.892 -12.306 -11.661 1.00 1.51 H new ATOM 0 HG2 PRO A 30 6.074 -10.993 -14.303 1.00 1.35 H new ATOM 0 HG3 PRO A 30 5.215 -12.455 -13.861 1.00 1.35 H new ATOM 0 HD2 PRO A 30 4.072 -9.864 -14.311 1.00 1.06 H new ATOM 0 HD3 PRO A 30 3.232 -11.297 -13.754 1.00 1.06 H new ATOM 462 N LYS A 31 7.211 -9.046 -10.799 1.00 1.13 N ATOM 463 CA LYS A 31 8.085 -7.891 -10.688 1.00 1.13 C ATOM 464 C LYS A 31 7.559 -6.962 -9.592 1.00 1.04 C ATOM 465 O LYS A 31 8.196 -6.799 -8.553 1.00 1.09 O ATOM 466 CB LYS A 31 8.244 -7.207 -12.049 1.00 1.16 C ATOM 467 CG LYS A 31 9.311 -6.113 -11.991 1.00 2.36 C ATOM 468 CD LYS A 31 8.943 -4.939 -12.901 1.00 3.06 C ATOM 469 CE LYS A 31 9.031 -5.341 -14.375 1.00 3.42 C ATOM 470 NZ LYS A 31 8.025 -4.606 -15.172 1.00 4.86 N ATOM 0 H LYS A 31 7.599 -9.912 -10.424 1.00 1.13 H new ATOM 0 HA LYS A 31 9.088 -8.199 -10.392 1.00 1.13 H new ATOM 0 HB2 LYS A 31 8.517 -7.946 -12.802 1.00 1.16 H new ATOM 0 HB3 LYS A 31 7.292 -6.775 -12.357 1.00 1.16 H new ATOM 0 HG2 LYS A 31 9.421 -5.762 -10.965 1.00 2.36 H new ATOM 0 HG3 LYS A 31 10.275 -6.524 -12.293 1.00 2.36 H new ATOM 0 HD2 LYS A 31 7.933 -4.599 -12.672 1.00 3.06 H new ATOM 0 HD3 LYS A 31 9.612 -4.101 -12.708 1.00 3.06 H new ATOM 0 HE2 LYS A 31 10.030 -5.131 -14.757 1.00 3.42 H new ATOM 0 HE3 LYS A 31 8.870 -6.414 -14.476 1.00 3.42 H new ATOM 0 HZ1 LYS A 31 8.448 -4.307 -16.074 1.00 4.86 H new ATOM 0 HZ2 LYS A 31 7.211 -5.225 -15.360 1.00 4.86 H new ATOM 0 HZ3 LYS A 31 7.708 -3.768 -14.644 1.00 4.86 H new ATOM 484 N THR A 32 6.401 -6.376 -9.861 1.00 1.00 N ATOM 485 CA THR A 32 5.773 -5.484 -8.902 1.00 0.94 C ATOM 486 C THR A 32 5.333 -6.260 -7.659 1.00 0.78 C ATOM 487 O THR A 32 5.695 -5.903 -6.539 1.00 0.78 O ATOM 488 CB THR A 32 4.620 -4.766 -9.608 1.00 1.02 C ATOM 489 OG1 THR A 32 5.245 -4.104 -10.705 1.00 1.54 O ATOM 490 CG2 THR A 32 4.038 -3.628 -8.768 1.00 0.97 C ATOM 0 H THR A 32 5.882 -6.502 -10.730 1.00 1.00 H new ATOM 0 HA THR A 32 6.476 -4.731 -8.545 1.00 0.94 H new ATOM 0 HB THR A 32 3.833 -5.483 -9.842 1.00 1.02 H new ATOM 0 HG1 THR A 32 4.570 -3.614 -11.219 1.00 1.54 H new ATOM 0 HG21 THR A 32 3.224 -3.152 -9.314 1.00 0.97 H new ATOM 0 HG22 THR A 32 3.659 -4.027 -7.827 1.00 0.97 H new ATOM 0 HG23 THR A 32 4.816 -2.893 -8.563 1.00 0.97 H new ATOM 498 N ALA A 33 4.560 -7.310 -7.898 1.00 0.83 N ATOM 499 CA ALA A 33 4.095 -8.160 -6.817 1.00 0.81 C ATOM 500 C ALA A 33 5.302 -8.751 -6.084 1.00 0.71 C ATOM 501 O ALA A 33 5.284 -8.887 -4.861 1.00 0.73 O ATOM 502 CB ALA A 33 3.168 -9.241 -7.377 1.00 1.06 C ATOM 0 H ALA A 33 4.244 -7.591 -8.826 1.00 0.83 H new ATOM 0 HA ALA A 33 3.520 -7.580 -6.095 1.00 0.81 H new ATOM 0 HB1 ALA A 33 2.820 -9.878 -6.564 1.00 1.06 H new ATOM 0 HB2 ALA A 33 2.312 -8.771 -7.862 1.00 1.06 H new ATOM 0 HB3 ALA A 33 3.711 -9.845 -8.104 1.00 1.06 H new ATOM 508 N GLU A 34 6.321 -9.085 -6.862 1.00 0.74 N ATOM 509 CA GLU A 34 7.522 -9.685 -6.306 1.00 0.86 C ATOM 510 C GLU A 34 8.212 -8.707 -5.353 1.00 0.78 C ATOM 511 O GLU A 34 8.591 -9.080 -4.243 1.00 0.88 O ATOM 512 CB GLU A 34 8.475 -10.133 -7.416 1.00 1.07 C ATOM 513 CG GLU A 34 9.446 -11.201 -6.906 1.00 1.55 C ATOM 514 CD GLU A 34 8.759 -12.565 -6.806 1.00 2.84 C ATOM 515 OE1 GLU A 34 8.467 -13.132 -7.881 1.00 4.12 O ATOM 516 OE2 GLU A 34 8.543 -13.009 -5.659 1.00 3.55 O ATOM 0 H GLU A 34 6.340 -8.952 -7.873 1.00 0.74 H new ATOM 0 HA GLU A 34 7.233 -10.571 -5.740 1.00 0.86 H new ATOM 0 HB2 GLU A 34 7.902 -10.528 -8.255 1.00 1.07 H new ATOM 0 HB3 GLU A 34 9.035 -9.275 -7.788 1.00 1.07 H new ATOM 0 HG2 GLU A 34 10.302 -11.269 -7.577 1.00 1.55 H new ATOM 0 HG3 GLU A 34 9.830 -10.911 -5.928 1.00 1.55 H new ATOM 523 N ASN A 35 8.353 -7.475 -5.820 1.00 0.77 N ATOM 524 CA ASN A 35 8.965 -6.434 -5.011 1.00 0.91 C ATOM 525 C ASN A 35 8.204 -6.307 -3.691 1.00 0.97 C ATOM 526 O ASN A 35 8.811 -6.253 -2.623 1.00 1.64 O ATOM 527 CB ASN A 35 8.909 -5.081 -5.723 1.00 1.09 C ATOM 528 CG ASN A 35 8.626 -3.951 -4.731 1.00 1.96 C ATOM 529 OD1 ASN A 35 9.500 -3.481 -4.019 1.00 2.63 O ATOM 530 ND2 ASN A 35 7.361 -3.542 -4.722 1.00 3.17 N ATOM 0 H ASN A 35 8.054 -7.174 -6.748 1.00 0.77 H new ATOM 0 HA ASN A 35 10.006 -6.708 -4.838 1.00 0.91 H new ATOM 0 HB2 ASN A 35 9.855 -4.895 -6.232 1.00 1.09 H new ATOM 0 HB3 ASN A 35 8.133 -5.101 -6.488 1.00 1.09 H new ATOM 0 HD21 ASN A 35 7.072 -2.792 -4.094 1.00 3.17 H new ATOM 0 HD22 ASN A 35 6.680 -3.978 -5.343 1.00 3.17 H new ATOM 537 N PHE A 36 6.884 -6.261 -3.807 1.00 0.76 N ATOM 538 CA PHE A 36 6.035 -6.092 -2.640 1.00 0.82 C ATOM 539 C PHE A 36 6.199 -7.262 -1.669 1.00 0.73 C ATOM 540 O PHE A 36 6.279 -7.062 -0.458 1.00 0.80 O ATOM 541 CB PHE A 36 4.589 -6.058 -3.140 1.00 0.93 C ATOM 542 CG PHE A 36 3.630 -5.301 -2.219 1.00 1.40 C ATOM 543 CD1 PHE A 36 3.563 -3.944 -2.274 1.00 2.71 C ATOM 544 CD2 PHE A 36 2.845 -5.986 -1.345 1.00 2.30 C ATOM 545 CE1 PHE A 36 2.672 -3.243 -1.418 1.00 3.34 C ATOM 546 CE2 PHE A 36 1.955 -5.285 -0.489 1.00 2.90 C ATOM 547 CZ PHE A 36 1.887 -3.927 -0.544 1.00 2.96 C ATOM 0 H PHE A 36 6.382 -6.338 -4.692 1.00 0.76 H new ATOM 0 HA PHE A 36 6.305 -5.177 -2.113 1.00 0.82 H new ATOM 0 HB2 PHE A 36 4.568 -5.597 -4.128 1.00 0.93 H new ATOM 0 HB3 PHE A 36 4.232 -7.081 -3.258 1.00 0.93 H new ATOM 0 HD1 PHE A 36 4.187 -3.400 -2.968 1.00 2.71 H new ATOM 0 HD2 PHE A 36 2.899 -7.064 -1.302 1.00 2.30 H new ATOM 0 HE1 PHE A 36 2.618 -2.165 -1.462 1.00 3.34 H new ATOM 0 HE2 PHE A 36 1.332 -5.829 0.205 1.00 2.90 H new ATOM 0 HZ PHE A 36 1.210 -3.393 0.106 1.00 2.96 H new ATOM 557 N ARG A 37 6.243 -8.459 -2.236 1.00 0.67 N ATOM 558 CA ARG A 37 6.445 -9.657 -1.440 1.00 0.74 C ATOM 559 C ARG A 37 7.818 -9.622 -0.767 1.00 0.73 C ATOM 560 O ARG A 37 7.959 -10.027 0.387 1.00 0.82 O ATOM 561 CB ARG A 37 6.338 -10.917 -2.302 1.00 0.85 C ATOM 562 CG ARG A 37 6.696 -12.166 -1.495 1.00 1.21 C ATOM 563 CD ARG A 37 8.138 -12.599 -1.764 1.00 2.00 C ATOM 564 NE ARG A 37 8.211 -13.359 -3.032 1.00 2.69 N ATOM 565 CZ ARG A 37 7.906 -14.659 -3.147 1.00 3.14 C ATOM 566 NH1 ARG A 37 7.561 -15.365 -2.061 1.00 3.41 N ATOM 567 NH2 ARG A 37 7.948 -15.254 -4.347 1.00 4.17 N ATOM 0 H ARG A 37 6.142 -8.624 -3.237 1.00 0.67 H new ATOM 0 HA ARG A 37 5.665 -9.685 -0.679 1.00 0.74 H new ATOM 0 HB2 ARG A 37 5.324 -11.010 -2.692 1.00 0.85 H new ATOM 0 HB3 ARG A 37 7.004 -10.832 -3.161 1.00 0.85 H new ATOM 0 HG2 ARG A 37 6.565 -11.966 -0.432 1.00 1.21 H new ATOM 0 HG3 ARG A 37 6.015 -12.977 -1.753 1.00 1.21 H new ATOM 0 HD2 ARG A 37 8.785 -11.724 -1.818 1.00 2.00 H new ATOM 0 HD3 ARG A 37 8.501 -13.214 -0.941 1.00 2.00 H new ATOM 0 HE ARG A 37 8.512 -12.862 -3.871 1.00 2.69 H new ATOM 0 HH11 ARG A 37 7.531 -14.913 -1.147 1.00 3.41 H new ATOM 0 HH12 ARG A 37 7.329 -16.354 -2.148 1.00 3.41 H new ATOM 0 HH21 ARG A 37 8.212 -14.717 -5.173 1.00 4.17 H new ATOM 0 HH22 ARG A 37 7.716 -16.243 -4.434 1.00 4.17 H new ATOM 581 N ALA A 38 8.796 -9.136 -1.516 1.00 0.73 N ATOM 582 CA ALA A 38 10.170 -9.132 -1.043 1.00 0.82 C ATOM 583 C ALA A 38 10.300 -8.149 0.123 1.00 0.86 C ATOM 584 O ALA A 38 11.051 -8.394 1.066 1.00 0.99 O ATOM 585 CB ALA A 38 11.109 -8.790 -2.202 1.00 0.90 C ATOM 0 H ALA A 38 8.665 -8.742 -2.448 1.00 0.73 H new ATOM 0 HA ALA A 38 10.452 -10.119 -0.676 1.00 0.82 H new ATOM 0 HB1 ALA A 38 12.139 -8.787 -1.847 1.00 0.90 H new ATOM 0 HB2 ALA A 38 10.999 -9.534 -2.991 1.00 0.90 H new ATOM 0 HB3 ALA A 38 10.858 -7.805 -2.595 1.00 0.90 H new ATOM 591 N LEU A 39 9.560 -7.055 0.018 1.00 0.82 N ATOM 592 CA LEU A 39 9.542 -6.059 1.077 1.00 0.90 C ATOM 593 C LEU A 39 8.805 -6.625 2.292 1.00 1.00 C ATOM 594 O LEU A 39 9.172 -6.343 3.432 1.00 1.27 O ATOM 595 CB LEU A 39 8.958 -4.742 0.563 1.00 0.92 C ATOM 596 CG LEU A 39 9.813 -3.981 -0.452 1.00 0.91 C ATOM 597 CD1 LEU A 39 9.211 -2.607 -0.755 1.00 1.03 C ATOM 598 CD2 LEU A 39 11.264 -3.878 0.021 1.00 1.15 C ATOM 0 H LEU A 39 8.969 -6.836 -0.784 1.00 0.82 H new ATOM 0 HA LEU A 39 10.557 -5.828 1.399 1.00 0.90 H new ATOM 0 HB2 LEU A 39 7.989 -4.950 0.109 1.00 0.92 H new ATOM 0 HB3 LEU A 39 8.777 -4.090 1.417 1.00 0.92 H new ATOM 0 HG LEU A 39 9.817 -4.544 -1.385 1.00 0.91 H new ATOM 0 HD11 LEU A 39 9.838 -2.087 -1.479 1.00 1.03 H new ATOM 0 HD12 LEU A 39 8.209 -2.731 -1.166 1.00 1.03 H new ATOM 0 HD13 LEU A 39 9.157 -2.023 0.164 1.00 1.03 H new ATOM 0 HD21 LEU A 39 11.850 -3.333 -0.719 1.00 1.15 H new ATOM 0 HD22 LEU A 39 11.300 -3.349 0.974 1.00 1.15 H new ATOM 0 HD23 LEU A 39 11.678 -4.879 0.146 1.00 1.15 H new ATOM 610 N SER A 40 7.780 -7.415 2.008 1.00 0.96 N ATOM 611 CA SER A 40 6.950 -7.973 3.062 1.00 1.13 C ATOM 612 C SER A 40 7.763 -8.959 3.903 1.00 1.25 C ATOM 613 O SER A 40 7.753 -8.887 5.131 1.00 1.49 O ATOM 614 CB SER A 40 5.714 -8.663 2.483 1.00 1.26 C ATOM 615 OG SER A 40 4.845 -7.742 1.828 1.00 2.56 O ATOM 0 H SER A 40 7.505 -7.682 1.063 1.00 0.96 H new ATOM 0 HA SER A 40 6.612 -7.156 3.699 1.00 1.13 H new ATOM 0 HB2 SER A 40 6.026 -9.432 1.776 1.00 1.26 H new ATOM 0 HB3 SER A 40 5.172 -9.166 3.283 1.00 1.26 H new ATOM 0 HG SER A 40 5.262 -7.434 0.997 1.00 2.56 H new ATOM 621 N THR A 41 8.448 -9.855 3.209 1.00 1.29 N ATOM 622 CA THR A 41 9.227 -10.884 3.877 1.00 1.57 C ATOM 623 C THR A 41 10.619 -10.356 4.227 1.00 1.69 C ATOM 624 O THR A 41 11.312 -10.930 5.065 1.00 2.36 O ATOM 625 CB THR A 41 9.254 -12.117 2.973 1.00 1.70 C ATOM 626 OG1 THR A 41 9.690 -13.167 3.832 1.00 2.26 O ATOM 627 CG2 THR A 41 10.345 -12.035 1.903 1.00 1.79 C ATOM 0 H THR A 41 8.480 -9.890 2.190 1.00 1.29 H new ATOM 0 HA THR A 41 8.774 -11.169 4.827 1.00 1.57 H new ATOM 0 HB THR A 41 8.283 -12.236 2.493 1.00 1.70 H new ATOM 0 HG1 THR A 41 9.735 -14.006 3.327 1.00 2.26 H new ATOM 0 HG21 THR A 41 10.321 -12.935 1.289 1.00 1.79 H new ATOM 0 HG22 THR A 41 10.173 -11.162 1.274 1.00 1.79 H new ATOM 0 HG23 THR A 41 11.320 -11.950 2.383 1.00 1.79 H new ATOM 635 N GLY A 42 10.987 -9.267 3.568 1.00 1.48 N ATOM 636 CA GLY A 42 12.187 -8.535 3.940 1.00 1.76 C ATOM 637 C GLY A 42 13.445 -9.297 3.520 1.00 1.84 C ATOM 638 O GLY A 42 14.499 -9.151 4.139 1.00 2.42 O ATOM 0 H GLY A 42 10.475 -8.873 2.778 1.00 1.48 H new ATOM 0 HA2 GLY A 42 12.179 -7.552 3.469 1.00 1.76 H new ATOM 0 HA3 GLY A 42 12.199 -8.372 5.018 1.00 1.76 H new ATOM 642 N GLU A 43 13.295 -10.093 2.472 1.00 2.45 N ATOM 643 CA GLU A 43 14.427 -10.804 1.904 1.00 3.18 C ATOM 644 C GLU A 43 15.268 -9.861 1.041 1.00 3.13 C ATOM 645 O GLU A 43 14.842 -9.457 -0.041 1.00 4.46 O ATOM 646 CB GLU A 43 13.964 -12.018 1.097 1.00 4.20 C ATOM 647 CG GLU A 43 13.246 -11.584 -0.184 1.00 5.48 C ATOM 648 CD GLU A 43 12.354 -12.706 -0.719 1.00 6.79 C ATOM 649 OE1 GLU A 43 12.778 -13.875 -0.599 1.00 7.11 O ATOM 650 OE2 GLU A 43 11.267 -12.368 -1.236 1.00 7.92 O ATOM 0 H GLU A 43 12.406 -10.261 2.001 1.00 2.45 H new ATOM 0 HA GLU A 43 15.049 -11.168 2.722 1.00 3.18 H new ATOM 0 HB2 GLU A 43 14.823 -12.640 0.844 1.00 4.20 H new ATOM 0 HB3 GLU A 43 13.296 -12.629 1.704 1.00 4.20 H new ATOM 0 HG2 GLU A 43 12.643 -10.698 0.015 1.00 5.48 H new ATOM 0 HG3 GLU A 43 13.980 -11.306 -0.940 1.00 5.48 H new ATOM 657 N LYS A 44 16.447 -9.535 1.551 1.00 2.35 N ATOM 658 CA LYS A 44 17.421 -8.794 0.770 1.00 2.39 C ATOM 659 C LYS A 44 17.098 -7.300 0.844 1.00 2.47 C ATOM 660 O LYS A 44 17.978 -6.483 1.107 1.00 2.62 O ATOM 661 CB LYS A 44 17.490 -9.338 -0.658 1.00 3.12 C ATOM 662 CG LYS A 44 18.729 -8.813 -1.387 1.00 3.37 C ATOM 663 CD LYS A 44 18.419 -8.521 -2.856 1.00 3.24 C ATOM 664 CE LYS A 44 17.405 -7.383 -2.986 1.00 2.43 C ATOM 665 NZ LYS A 44 17.527 -6.730 -4.309 1.00 3.35 N ATOM 0 H LYS A 44 16.749 -9.771 2.496 1.00 2.35 H new ATOM 0 HA LYS A 44 18.420 -8.926 1.185 1.00 2.39 H new ATOM 0 HB2 LYS A 44 17.512 -10.428 -0.635 1.00 3.12 H new ATOM 0 HB3 LYS A 44 16.592 -9.049 -1.205 1.00 3.12 H new ATOM 0 HG2 LYS A 44 19.085 -7.905 -0.899 1.00 3.37 H new ATOM 0 HG3 LYS A 44 19.533 -9.546 -1.320 1.00 3.37 H new ATOM 0 HD2 LYS A 44 19.338 -8.256 -3.380 1.00 3.24 H new ATOM 0 HD3 LYS A 44 18.027 -9.419 -3.334 1.00 3.24 H new ATOM 0 HE2 LYS A 44 16.395 -7.771 -2.857 1.00 2.43 H new ATOM 0 HE3 LYS A 44 17.568 -6.650 -2.196 1.00 2.43 H new ATOM 0 HZ1 LYS A 44 16.930 -5.878 -4.332 1.00 3.35 H new ATOM 0 HZ2 LYS A 44 18.518 -6.463 -4.474 1.00 3.35 H new ATOM 0 HZ3 LYS A 44 17.218 -7.389 -5.051 1.00 3.35 H new ATOM 679 N GLY A 45 15.832 -6.988 0.607 1.00 3.12 N ATOM 680 CA GLY A 45 15.426 -5.608 0.403 1.00 4.09 C ATOM 681 C GLY A 45 14.644 -5.084 1.609 1.00 3.64 C ATOM 682 O GLY A 45 13.724 -4.282 1.456 1.00 4.93 O ATOM 0 H GLY A 45 15.074 -7.668 0.552 1.00 3.12 H new ATOM 0 HA2 GLY A 45 16.306 -4.987 0.238 1.00 4.09 H new ATOM 0 HA3 GLY A 45 14.811 -5.535 -0.494 1.00 4.09 H new ATOM 686 N PHE A 46 15.039 -5.558 2.782 1.00 2.21 N ATOM 687 CA PHE A 46 14.470 -5.057 4.021 1.00 2.03 C ATOM 688 C PHE A 46 12.944 -4.985 3.934 1.00 1.57 C ATOM 689 O PHE A 46 12.353 -5.425 2.949 1.00 1.55 O ATOM 690 CB PHE A 46 15.025 -3.646 4.230 1.00 1.98 C ATOM 691 CG PHE A 46 14.714 -2.679 3.086 1.00 1.61 C ATOM 692 CD1 PHE A 46 13.504 -2.060 3.029 1.00 2.37 C ATOM 693 CD2 PHE A 46 15.646 -2.439 2.126 1.00 2.03 C ATOM 694 CE1 PHE A 46 13.215 -1.163 1.967 1.00 2.85 C ATOM 695 CE2 PHE A 46 15.357 -1.542 1.064 1.00 2.19 C ATOM 696 CZ PHE A 46 14.148 -0.923 1.007 1.00 2.39 C ATOM 0 H PHE A 46 15.746 -6.284 2.900 1.00 2.21 H new ATOM 0 HA PHE A 46 14.729 -5.722 4.845 1.00 2.03 H new ATOM 0 HB2 PHE A 46 14.618 -3.240 5.156 1.00 1.98 H new ATOM 0 HB3 PHE A 46 16.106 -3.707 4.357 1.00 1.98 H new ATOM 0 HD1 PHE A 46 12.763 -2.251 3.791 1.00 2.37 H new ATOM 0 HD2 PHE A 46 16.607 -2.931 2.171 1.00 2.03 H new ATOM 0 HE1 PHE A 46 12.254 -0.671 1.922 1.00 2.85 H new ATOM 0 HE2 PHE A 46 16.098 -1.351 0.301 1.00 2.19 H new ATOM 0 HZ PHE A 46 13.928 -0.241 0.199 1.00 2.39 H new ATOM 706 N GLY A 47 12.350 -4.425 4.978 1.00 1.62 N ATOM 707 CA GLY A 47 10.901 -4.317 5.046 1.00 1.49 C ATOM 708 C GLY A 47 10.481 -3.109 5.886 1.00 1.60 C ATOM 709 O GLY A 47 11.326 -2.412 6.444 1.00 2.62 O ATOM 0 H GLY A 47 12.845 -4.041 5.783 1.00 1.62 H new ATOM 0 HA2 GLY A 47 10.492 -4.225 4.040 1.00 1.49 H new ATOM 0 HA3 GLY A 47 10.485 -5.227 5.477 1.00 1.49 H new ATOM 713 N TYR A 48 9.175 -2.899 5.949 1.00 1.21 N ATOM 714 CA TYR A 48 8.637 -1.725 6.616 1.00 1.81 C ATOM 715 C TYR A 48 8.036 -2.093 7.974 1.00 1.26 C ATOM 716 O TYR A 48 6.818 -2.084 8.141 1.00 1.99 O ATOM 717 CB TYR A 48 7.526 -1.196 5.707 1.00 2.87 C ATOM 718 CG TYR A 48 8.034 -0.486 4.450 1.00 4.12 C ATOM 719 CD1 TYR A 48 8.707 -1.200 3.479 1.00 4.67 C ATOM 720 CD2 TYR A 48 7.820 0.867 4.288 1.00 5.45 C ATOM 721 CE1 TYR A 48 9.185 -0.532 2.297 1.00 6.09 C ATOM 722 CE2 TYR A 48 8.299 1.535 3.105 1.00 6.74 C ATOM 723 CZ TYR A 48 8.958 0.802 2.168 1.00 6.84 C ATOM 724 OH TYR A 48 9.410 1.433 1.051 1.00 8.25 O ATOM 0 H TYR A 48 8.473 -3.522 5.549 1.00 1.21 H new ATOM 0 HA TYR A 48 9.422 -0.989 6.789 1.00 1.81 H new ATOM 0 HB2 TYR A 48 6.888 -2.028 5.409 1.00 2.87 H new ATOM 0 HB3 TYR A 48 6.904 -0.505 6.276 1.00 2.87 H new ATOM 0 HD1 TYR A 48 8.875 -2.259 3.606 1.00 4.67 H new ATOM 0 HD2 TYR A 48 7.293 1.425 5.048 1.00 5.45 H new ATOM 0 HE1 TYR A 48 9.712 -1.079 1.529 1.00 6.09 H new ATOM 0 HE2 TYR A 48 8.138 2.594 2.965 1.00 6.74 H new ATOM 0 HH TYR A 48 9.643 0.767 0.371 1.00 8.25 H new ATOM 734 N LYS A 49 8.920 -2.408 8.909 1.00 1.11 N ATOM 735 CA LYS A 49 8.494 -2.746 10.258 1.00 1.26 C ATOM 736 C LYS A 49 8.610 -1.509 11.149 1.00 1.84 C ATOM 737 O LYS A 49 9.688 -1.204 11.657 1.00 2.05 O ATOM 738 CB LYS A 49 9.275 -3.956 10.778 1.00 1.49 C ATOM 739 CG LYS A 49 8.887 -4.277 12.223 1.00 2.02 C ATOM 740 CD LYS A 49 9.786 -5.372 12.800 1.00 2.01 C ATOM 741 CE LYS A 49 9.060 -6.718 12.828 1.00 2.45 C ATOM 742 NZ LYS A 49 8.129 -6.782 13.976 1.00 2.85 N ATOM 0 H LYS A 49 9.929 -2.437 8.760 1.00 1.11 H new ATOM 0 HA LYS A 49 7.446 -3.046 10.264 1.00 1.26 H new ATOM 0 HB2 LYS A 49 9.078 -4.821 10.144 1.00 1.49 H new ATOM 0 HB3 LYS A 49 10.345 -3.755 10.721 1.00 1.49 H new ATOM 0 HG2 LYS A 49 8.966 -3.377 12.833 1.00 2.02 H new ATOM 0 HG3 LYS A 49 7.846 -4.598 12.261 1.00 2.02 H new ATOM 0 HD2 LYS A 49 10.693 -5.456 12.201 1.00 2.01 H new ATOM 0 HD3 LYS A 49 10.095 -5.100 13.809 1.00 2.01 H new ATOM 0 HE2 LYS A 49 8.510 -6.860 11.898 1.00 2.45 H new ATOM 0 HE3 LYS A 49 9.786 -7.528 12.896 1.00 2.45 H new ATOM 0 HZ1 LYS A 49 7.839 -7.768 14.133 1.00 2.85 H new ATOM 0 HZ2 LYS A 49 8.603 -6.421 14.828 1.00 2.85 H new ATOM 0 HZ3 LYS A 49 7.290 -6.202 13.775 1.00 2.85 H new ATOM 756 N GLY A 50 7.484 -0.830 11.313 1.00 2.29 N ATOM 757 CA GLY A 50 7.440 0.354 12.154 1.00 2.96 C ATOM 758 C GLY A 50 7.078 1.595 11.335 1.00 2.25 C ATOM 759 O GLY A 50 6.901 2.679 11.889 1.00 3.06 O ATOM 0 H GLY A 50 6.595 -1.077 10.878 1.00 2.29 H new ATOM 0 HA2 GLY A 50 6.708 0.213 12.949 1.00 2.96 H new ATOM 0 HA3 GLY A 50 8.408 0.500 12.634 1.00 2.96 H new ATOM 763 N SER A 51 6.978 1.394 10.029 1.00 1.57 N ATOM 764 CA SER A 51 6.613 2.477 9.131 1.00 2.08 C ATOM 765 C SER A 51 5.223 3.006 9.487 1.00 1.71 C ATOM 766 O SER A 51 4.427 2.304 10.109 1.00 2.49 O ATOM 767 CB SER A 51 6.649 2.018 7.672 1.00 3.53 C ATOM 768 OG SER A 51 6.353 3.081 6.770 1.00 4.68 O ATOM 0 H SER A 51 7.143 0.498 9.571 1.00 1.57 H new ATOM 0 HA SER A 51 7.341 3.280 9.249 1.00 2.08 H new ATOM 0 HB2 SER A 51 7.635 1.613 7.444 1.00 3.53 H new ATOM 0 HB3 SER A 51 5.931 1.210 7.528 1.00 3.53 H new ATOM 0 HG SER A 51 7.168 3.342 6.293 1.00 4.68 H new ATOM 774 N CYS A 52 4.972 4.242 9.078 1.00 1.69 N ATOM 775 CA CYS A 52 3.720 4.899 9.408 1.00 1.76 C ATOM 776 C CYS A 52 3.004 5.252 8.102 1.00 1.65 C ATOM 777 O CYS A 52 3.650 5.502 7.085 1.00 2.50 O ATOM 778 CB CYS A 52 3.942 6.132 10.287 1.00 2.67 C ATOM 779 SG CYS A 52 5.150 5.748 11.608 1.00 3.77 S ATOM 0 H CYS A 52 5.615 4.805 8.521 1.00 1.69 H new ATOM 0 HA CYS A 52 3.096 4.224 9.993 1.00 1.76 H new ATOM 0 HB2 CYS A 52 4.305 6.961 9.680 1.00 2.67 H new ATOM 0 HB3 CYS A 52 2.997 6.450 10.728 1.00 2.67 H new ATOM 0 HG CYS A 52 5.334 6.801 12.348 1.00 3.77 H new ATOM 785 N PHE A 53 1.682 5.262 8.174 1.00 1.70 N ATOM 786 CA PHE A 53 0.873 5.662 7.034 1.00 1.86 C ATOM 787 C PHE A 53 0.833 7.185 6.899 1.00 1.63 C ATOM 788 O PHE A 53 0.299 7.875 7.766 1.00 2.78 O ATOM 789 CB PHE A 53 -0.544 5.146 7.288 1.00 2.95 C ATOM 790 CG PHE A 53 -0.630 3.632 7.485 1.00 4.22 C ATOM 791 CD1 PHE A 53 -0.303 2.794 6.464 1.00 5.30 C ATOM 792 CD2 PHE A 53 -1.033 3.122 8.679 1.00 5.19 C ATOM 793 CE1 PHE A 53 -0.382 1.388 6.646 1.00 6.87 C ATOM 794 CE2 PHE A 53 -1.114 1.715 8.861 1.00 6.73 C ATOM 795 CZ PHE A 53 -0.785 0.878 7.840 1.00 7.38 C ATOM 0 H PHE A 53 1.150 5.000 9.004 1.00 1.70 H new ATOM 0 HA PHE A 53 1.295 5.254 6.116 1.00 1.86 H new ATOM 0 HB2 PHE A 53 -0.946 5.640 8.172 1.00 2.95 H new ATOM 0 HB3 PHE A 53 -1.178 5.429 6.448 1.00 2.95 H new ATOM 0 HD1 PHE A 53 0.017 3.198 5.515 1.00 5.30 H new ATOM 0 HD2 PHE A 53 -1.292 3.787 9.490 1.00 5.19 H new ATOM 0 HE1 PHE A 53 -0.122 0.723 5.835 1.00 6.87 H new ATOM 0 HE2 PHE A 53 -1.436 1.310 9.809 1.00 6.73 H new ATOM 0 HZ PHE A 53 -0.844 -0.192 7.978 1.00 7.38 H new ATOM 805 N HIS A 54 1.405 7.666 5.805 1.00 1.20 N ATOM 806 CA HIS A 54 1.743 9.074 5.693 1.00 1.41 C ATOM 807 C HIS A 54 0.511 9.864 5.246 1.00 1.27 C ATOM 808 O HIS A 54 0.518 11.094 5.263 1.00 1.92 O ATOM 809 CB HIS A 54 2.943 9.273 4.766 1.00 2.42 C ATOM 810 CG HIS A 54 2.681 8.890 3.329 1.00 2.02 C ATOM 811 ND1 HIS A 54 2.894 7.613 2.843 1.00 1.79 N ATOM 812 CD2 HIS A 54 2.219 9.630 2.280 1.00 3.28 C ATOM 813 CE1 HIS A 54 2.574 7.595 1.558 1.00 2.34 C ATOM 814 NE2 HIS A 54 2.155 8.846 1.211 1.00 3.56 N ATOM 0 H HIS A 54 1.643 7.104 4.987 1.00 1.20 H new ATOM 0 HA HIS A 54 2.044 9.458 6.668 1.00 1.41 H new ATOM 0 HB2 HIS A 54 3.247 10.319 4.802 1.00 2.42 H new ATOM 0 HB3 HIS A 54 3.780 8.684 5.141 1.00 2.42 H new ATOM 0 HD2 HIS A 54 1.951 10.676 2.314 1.00 3.28 H new ATOM 0 HE1 HIS A 54 2.634 6.740 0.901 1.00 2.34 H new ATOM 0 HE2 HIS A 54 1.844 9.132 0.283 1.00 3.56 H new ATOM 822 N ARG A 55 -0.516 9.124 4.856 1.00 0.85 N ATOM 823 CA ARG A 55 -1.749 9.740 4.393 1.00 1.04 C ATOM 824 C ARG A 55 -2.916 8.761 4.532 1.00 0.84 C ATOM 825 O ARG A 55 -2.848 7.635 4.044 1.00 0.97 O ATOM 826 CB ARG A 55 -1.630 10.178 2.932 1.00 1.51 C ATOM 827 CG ARG A 55 -2.867 10.968 2.494 1.00 1.62 C ATOM 828 CD ARG A 55 -2.840 12.387 3.065 1.00 1.80 C ATOM 829 NE ARG A 55 -1.656 13.115 2.557 1.00 1.91 N ATOM 830 CZ ARG A 55 -0.846 13.858 3.324 1.00 3.17 C ATOM 831 NH1 ARG A 55 -0.579 13.479 4.581 1.00 4.08 N ATOM 832 NH2 ARG A 55 -0.301 14.979 2.832 1.00 4.11 N ATOM 0 H ARG A 55 -0.520 8.104 4.851 1.00 0.85 H new ATOM 0 HA ARG A 55 -1.933 10.619 5.010 1.00 1.04 H new ATOM 0 HB2 ARG A 55 -0.738 10.791 2.804 1.00 1.51 H new ATOM 0 HB3 ARG A 55 -1.509 9.302 2.295 1.00 1.51 H new ATOM 0 HG2 ARG A 55 -2.909 11.011 1.406 1.00 1.62 H new ATOM 0 HG3 ARG A 55 -3.768 10.454 2.828 1.00 1.62 H new ATOM 0 HD2 ARG A 55 -3.750 12.917 2.786 1.00 1.80 H new ATOM 0 HD3 ARG A 55 -2.814 12.349 4.154 1.00 1.80 H new ATOM 0 HE ARG A 55 -1.443 13.047 1.562 1.00 1.91 H new ATOM 0 HH11 ARG A 55 -0.992 12.625 4.955 1.00 4.08 H new ATOM 0 HH12 ARG A 55 0.038 14.045 5.164 1.00 4.08 H new ATOM 0 HH21 ARG A 55 -0.503 15.266 1.874 1.00 4.11 H new ATOM 0 HH22 ARG A 55 0.315 15.545 3.415 1.00 4.11 H new ATOM 846 N ILE A 56 -3.961 9.227 5.201 1.00 0.88 N ATOM 847 CA ILE A 56 -5.172 8.436 5.343 1.00 0.77 C ATOM 848 C ILE A 56 -6.390 9.327 5.092 1.00 0.80 C ATOM 849 O ILE A 56 -6.506 10.403 5.676 1.00 0.98 O ATOM 850 CB ILE A 56 -5.194 7.730 6.700 1.00 0.75 C ATOM 851 CG1 ILE A 56 -4.247 6.528 6.710 1.00 0.88 C ATOM 852 CG2 ILE A 56 -6.620 7.338 7.091 1.00 0.80 C ATOM 853 CD1 ILE A 56 -4.317 5.785 8.045 1.00 0.89 C ATOM 0 H ILE A 56 -3.994 10.142 5.650 1.00 0.88 H new ATOM 0 HA ILE A 56 -5.199 7.642 4.597 1.00 0.77 H new ATOM 0 HB ILE A 56 -4.833 8.430 7.454 1.00 0.75 H new ATOM 0 HG12 ILE A 56 -4.507 5.849 5.898 1.00 0.88 H new ATOM 0 HG13 ILE A 56 -3.226 6.864 6.530 1.00 0.88 H new ATOM 0 HG21 ILE A 56 -6.607 6.838 8.059 1.00 0.80 H new ATOM 0 HG22 ILE A 56 -7.239 8.233 7.153 1.00 0.80 H new ATOM 0 HG23 ILE A 56 -7.031 6.664 6.340 1.00 0.80 H new ATOM 0 HD11 ILE A 56 -3.634 4.936 8.025 1.00 0.89 H new ATOM 0 HD12 ILE A 56 -4.033 6.460 8.852 1.00 0.89 H new ATOM 0 HD13 ILE A 56 -5.334 5.429 8.211 1.00 0.89 H new ATOM 865 N ILE A 57 -7.267 8.844 4.224 1.00 0.73 N ATOM 866 CA ILE A 57 -8.504 9.552 3.940 1.00 0.78 C ATOM 867 C ILE A 57 -9.685 8.596 4.117 1.00 0.71 C ATOM 868 O ILE A 57 -9.719 7.525 3.511 1.00 0.69 O ATOM 869 CB ILE A 57 -8.442 10.204 2.557 1.00 0.89 C ATOM 870 CG1 ILE A 57 -7.347 11.271 2.501 1.00 1.06 C ATOM 871 CG2 ILE A 57 -9.808 10.763 2.152 1.00 0.91 C ATOM 872 CD1 ILE A 57 -6.819 11.442 1.076 1.00 1.33 C ATOM 0 H ILE A 57 -7.146 7.972 3.709 1.00 0.73 H new ATOM 0 HA ILE A 57 -8.647 10.370 4.646 1.00 0.78 H new ATOM 0 HB ILE A 57 -8.180 9.436 1.830 1.00 0.89 H new ATOM 0 HG12 ILE A 57 -7.741 12.221 2.863 1.00 1.06 H new ATOM 0 HG13 ILE A 57 -6.529 10.992 3.165 1.00 1.06 H new ATOM 0 HG21 ILE A 57 -9.736 11.221 1.165 1.00 0.91 H new ATOM 0 HG22 ILE A 57 -10.538 9.954 2.124 1.00 0.91 H new ATOM 0 HG23 ILE A 57 -10.124 11.513 2.877 1.00 0.91 H new ATOM 0 HD11 ILE A 57 -6.042 12.206 1.065 1.00 1.33 H new ATOM 0 HD12 ILE A 57 -6.403 10.497 0.726 1.00 1.33 H new ATOM 0 HD13 ILE A 57 -7.635 11.745 0.420 1.00 1.33 H new ATOM 884 N PRO A 58 -10.652 9.028 4.971 1.00 0.72 N ATOM 885 CA PRO A 58 -11.834 8.225 5.231 1.00 0.72 C ATOM 886 C PRO A 58 -12.805 8.281 4.049 1.00 0.71 C ATOM 887 O PRO A 58 -13.329 9.345 3.723 1.00 0.80 O ATOM 888 CB PRO A 58 -12.422 8.794 6.512 1.00 0.81 C ATOM 889 CG PRO A 58 -11.819 10.180 6.667 1.00 0.85 C ATOM 890 CD PRO A 58 -10.642 10.287 5.709 1.00 0.79 C ATOM 0 HA PRO A 58 -11.606 7.166 5.350 1.00 0.72 H new ATOM 0 HB2 PRO A 58 -13.509 8.845 6.454 1.00 0.81 H new ATOM 0 HB3 PRO A 58 -12.178 8.164 7.367 1.00 0.81 H new ATOM 0 HG2 PRO A 58 -12.562 10.946 6.446 1.00 0.85 H new ATOM 0 HG3 PRO A 58 -11.491 10.341 7.694 1.00 0.85 H new ATOM 0 HD2 PRO A 58 -10.752 11.140 5.039 1.00 0.79 H new ATOM 0 HD3 PRO A 58 -9.704 10.424 6.247 1.00 0.79 H new ATOM 898 N GLY A 59 -13.016 7.123 3.442 1.00 0.69 N ATOM 899 CA GLY A 59 -13.964 7.014 2.346 1.00 0.72 C ATOM 900 C GLY A 59 -13.290 7.320 1.007 1.00 0.71 C ATOM 901 O GLY A 59 -13.860 8.014 0.166 1.00 0.78 O ATOM 0 H GLY A 59 -12.547 6.251 3.688 1.00 0.69 H new ATOM 0 HA2 GLY A 59 -14.386 6.009 2.324 1.00 0.72 H new ATOM 0 HA3 GLY A 59 -14.792 7.704 2.507 1.00 0.72 H new ATOM 905 N PHE A 60 -12.088 6.785 0.849 1.00 0.70 N ATOM 906 CA PHE A 60 -11.348 6.958 -0.390 1.00 0.71 C ATOM 907 C PHE A 60 -10.178 5.976 -0.470 1.00 0.62 C ATOM 908 O PHE A 60 -10.150 5.108 -1.341 1.00 0.65 O ATOM 909 CB PHE A 60 -10.801 8.387 -0.388 1.00 0.81 C ATOM 910 CG PHE A 60 -9.922 8.717 -1.596 1.00 0.84 C ATOM 911 CD1 PHE A 60 -10.305 8.332 -2.843 1.00 2.33 C ATOM 912 CD2 PHE A 60 -8.755 9.395 -1.423 1.00 1.57 C ATOM 913 CE1 PHE A 60 -9.489 8.639 -3.963 1.00 2.35 C ATOM 914 CE2 PHE A 60 -7.939 9.702 -2.544 1.00 1.61 C ATOM 915 CZ PHE A 60 -8.323 9.317 -3.790 1.00 0.96 C ATOM 0 H PHE A 60 -11.608 6.231 1.559 1.00 0.70 H new ATOM 0 HA PHE A 60 -12.001 6.774 -1.243 1.00 0.71 H new ATOM 0 HB2 PHE A 60 -11.637 9.085 -0.358 1.00 0.81 H new ATOM 0 HB3 PHE A 60 -10.223 8.543 0.523 1.00 0.81 H new ATOM 0 HD1 PHE A 60 -11.230 7.792 -2.981 1.00 2.33 H new ATOM 0 HD2 PHE A 60 -8.449 9.700 -0.433 1.00 1.57 H new ATOM 0 HE1 PHE A 60 -9.794 8.334 -4.953 1.00 2.35 H new ATOM 0 HE2 PHE A 60 -7.013 10.241 -2.407 1.00 1.61 H new ATOM 0 HZ PHE A 60 -7.702 9.550 -4.642 1.00 0.96 H new ATOM 925 N MET A 61 -9.240 6.146 0.450 1.00 0.60 N ATOM 926 CA MET A 61 -7.954 5.477 0.340 1.00 0.74 C ATOM 927 C MET A 61 -7.304 5.313 1.715 1.00 0.61 C ATOM 928 O MET A 61 -7.438 6.180 2.578 1.00 0.56 O ATOM 929 CB MET A 61 -7.030 6.292 -0.568 1.00 1.04 C ATOM 930 CG MET A 61 -5.561 6.041 -0.222 1.00 1.16 C ATOM 931 SD MET A 61 -5.056 7.117 1.110 1.00 1.52 S ATOM 932 CE MET A 61 -4.592 8.567 0.179 1.00 1.38 C ATOM 0 H MET A 61 -9.344 6.737 1.275 1.00 0.60 H new ATOM 0 HA MET A 61 -8.115 4.487 -0.086 1.00 0.74 H new ATOM 0 HB2 MET A 61 -7.212 6.028 -1.610 1.00 1.04 H new ATOM 0 HB3 MET A 61 -7.256 7.353 -0.464 1.00 1.04 H new ATOM 0 HG2 MET A 61 -5.420 5.000 0.067 1.00 1.16 H new ATOM 0 HG3 MET A 61 -4.937 6.216 -1.099 1.00 1.16 H new ATOM 0 HE1 MET A 61 -4.489 9.416 0.855 1.00 1.38 H new ATOM 0 HE2 MET A 61 -3.642 8.387 -0.325 1.00 1.38 H new ATOM 0 HE3 MET A 61 -5.361 8.785 -0.563 1.00 1.38 H new ATOM 942 N CYS A 62 -6.612 4.194 1.877 1.00 0.72 N ATOM 943 CA CYS A 62 -5.942 3.904 3.134 1.00 0.92 C ATOM 944 C CYS A 62 -4.702 3.060 2.832 1.00 1.27 C ATOM 945 O CYS A 62 -4.799 1.845 2.666 1.00 1.77 O ATOM 946 CB CYS A 62 -6.877 3.212 4.126 1.00 1.35 C ATOM 947 SG CYS A 62 -6.730 3.993 5.775 1.00 1.99 S ATOM 0 H CYS A 62 -6.501 3.478 1.159 1.00 0.72 H new ATOM 0 HA CYS A 62 -5.639 4.835 3.612 1.00 0.92 H new ATOM 0 HB2 CYS A 62 -7.907 3.277 3.774 1.00 1.35 H new ATOM 0 HB3 CYS A 62 -6.630 2.153 4.193 1.00 1.35 H new ATOM 0 HG CYS A 62 -6.973 3.109 6.697 1.00 1.99 H new ATOM 953 N GLN A 63 -3.565 3.736 2.772 1.00 1.43 N ATOM 954 CA GLN A 63 -2.298 3.101 3.094 1.00 1.94 C ATOM 955 C GLN A 63 -1.146 4.092 2.913 1.00 1.58 C ATOM 956 O GLN A 63 -1.345 5.303 2.998 1.00 2.41 O ATOM 957 CB GLN A 63 -2.081 1.847 2.245 1.00 3.73 C ATOM 958 CG GLN A 63 -1.533 0.698 3.095 1.00 5.42 C ATOM 959 CD GLN A 63 -2.532 0.296 4.183 1.00 6.97 C ATOM 960 OE1 GLN A 63 -3.484 1.000 4.478 1.00 7.45 O ATOM 961 NE2 GLN A 63 -2.262 -0.871 4.760 1.00 8.21 N ATOM 0 H GLN A 63 -3.494 4.718 2.505 1.00 1.43 H new ATOM 0 HA GLN A 63 -2.325 2.792 4.139 1.00 1.94 H new ATOM 0 HB2 GLN A 63 -3.023 1.547 1.785 1.00 3.73 H new ATOM 0 HB3 GLN A 63 -1.387 2.068 1.434 1.00 3.73 H new ATOM 0 HG2 GLN A 63 -1.319 -0.160 2.458 1.00 5.42 H new ATOM 0 HG3 GLN A 63 -0.591 0.998 3.554 1.00 5.42 H new ATOM 0 HE21 GLN A 63 -1.448 -1.410 4.464 1.00 8.21 H new ATOM 0 HE22 GLN A 63 -2.869 -1.228 5.498 1.00 8.21 H new ATOM 970 N GLY A 64 0.033 3.541 2.665 1.00 1.37 N ATOM 971 CA GLY A 64 1.243 4.344 2.639 1.00 2.08 C ATOM 972 C GLY A 64 2.432 3.563 3.202 1.00 1.61 C ATOM 973 O GLY A 64 2.251 2.627 3.980 1.00 2.39 O ATOM 0 H GLY A 64 0.176 2.548 2.480 1.00 1.37 H new ATOM 0 HA2 GLY A 64 1.457 4.652 1.616 1.00 2.08 H new ATOM 0 HA3 GLY A 64 1.093 5.254 3.221 1.00 2.08 H new ATOM 977 N GLY A 65 3.621 3.976 2.787 1.00 2.02 N ATOM 978 CA GLY A 65 4.833 3.274 3.174 1.00 2.10 C ATOM 979 C GLY A 65 6.076 4.093 2.821 1.00 1.80 C ATOM 980 O GLY A 65 6.556 4.046 1.690 1.00 2.54 O ATOM 0 H GLY A 65 3.771 4.787 2.187 1.00 2.02 H new ATOM 0 HA2 GLY A 65 4.816 3.075 4.246 1.00 2.10 H new ATOM 0 HA3 GLY A 65 4.875 2.308 2.671 1.00 2.10 H new ATOM 984 N ASP A 66 6.563 4.826 3.812 1.00 2.08 N ATOM 985 CA ASP A 66 7.827 5.530 3.672 1.00 2.32 C ATOM 986 C ASP A 66 8.887 4.842 4.533 1.00 1.81 C ATOM 987 O ASP A 66 8.565 3.983 5.351 1.00 2.12 O ATOM 988 CB ASP A 66 7.704 6.981 4.140 1.00 3.37 C ATOM 989 CG ASP A 66 6.995 7.920 3.162 1.00 4.36 C ATOM 990 OD1 ASP A 66 7.409 7.928 1.983 1.00 4.93 O ATOM 991 OD2 ASP A 66 6.055 8.606 3.616 1.00 5.34 O ATOM 0 H ASP A 66 6.105 4.948 4.715 1.00 2.08 H new ATOM 0 HA ASP A 66 8.107 5.514 2.619 1.00 2.32 H new ATOM 0 HB2 ASP A 66 7.167 6.996 5.088 1.00 3.37 H new ATOM 0 HB3 ASP A 66 8.704 7.370 4.333 1.00 3.37 H new ATOM 996 N PHE A 67 10.131 5.247 4.320 1.00 1.98 N ATOM 997 CA PHE A 67 11.256 4.553 4.921 1.00 1.89 C ATOM 998 C PHE A 67 12.454 5.492 5.087 1.00 2.12 C ATOM 999 O PHE A 67 13.088 5.515 6.141 1.00 3.18 O ATOM 1000 CB PHE A 67 11.642 3.417 3.971 1.00 2.29 C ATOM 1001 CG PHE A 67 12.267 2.208 4.669 1.00 2.70 C ATOM 1002 CD1 PHE A 67 11.602 1.586 5.679 1.00 3.49 C ATOM 1003 CD2 PHE A 67 13.489 1.754 4.278 1.00 3.50 C ATOM 1004 CE1 PHE A 67 12.181 0.463 6.325 1.00 4.67 C ATOM 1005 CE2 PHE A 67 14.069 0.631 4.926 1.00 4.50 C ATOM 1006 CZ PHE A 67 13.404 0.009 5.935 1.00 4.94 C ATOM 0 H PHE A 67 10.384 6.047 3.740 1.00 1.98 H new ATOM 0 HA PHE A 67 10.979 4.181 5.908 1.00 1.89 H new ATOM 0 HB2 PHE A 67 10.753 3.092 3.430 1.00 2.29 H new ATOM 0 HB3 PHE A 67 12.344 3.799 3.230 1.00 2.29 H new ATOM 0 HD1 PHE A 67 10.633 1.947 5.990 1.00 3.49 H new ATOM 0 HD2 PHE A 67 14.017 2.247 3.476 1.00 3.50 H new ATOM 0 HE1 PHE A 67 11.652 -0.032 7.126 1.00 4.67 H new ATOM 0 HE2 PHE A 67 15.039 0.271 4.617 1.00 4.50 H new ATOM 0 HZ PHE A 67 13.845 -0.845 6.427 1.00 4.94 H new ATOM 1016 N THR A 68 12.727 6.243 4.030 1.00 2.18 N ATOM 1017 CA THR A 68 13.935 7.049 3.977 1.00 2.75 C ATOM 1018 C THR A 68 13.592 8.533 4.119 1.00 2.59 C ATOM 1019 O THR A 68 14.477 9.361 4.325 1.00 3.39 O ATOM 1020 CB THR A 68 14.669 6.716 2.676 1.00 3.52 C ATOM 1021 OG1 THR A 68 13.665 6.132 1.851 1.00 4.16 O ATOM 1022 CG2 THR A 68 15.699 5.599 2.855 1.00 4.12 C ATOM 0 H THR A 68 12.133 6.310 3.204 1.00 2.18 H new ATOM 0 HA THR A 68 14.600 6.820 4.810 1.00 2.75 H new ATOM 0 HB THR A 68 15.165 7.611 2.300 1.00 3.52 H new ATOM 0 HG1 THR A 68 13.778 6.443 0.928 1.00 4.16 H new ATOM 0 HG21 THR A 68 16.191 5.402 1.903 1.00 4.12 H new ATOM 0 HG22 THR A 68 16.443 5.904 3.591 1.00 4.12 H new ATOM 0 HG23 THR A 68 15.198 4.694 3.199 1.00 4.12 H new ATOM 1030 N ARG A 69 12.305 8.824 4.001 1.00 2.22 N ATOM 1031 CA ARG A 69 11.841 10.200 4.056 1.00 2.83 C ATOM 1032 C ARG A 69 10.333 10.242 4.309 1.00 3.01 C ATOM 1033 O ARG A 69 9.557 10.563 3.411 1.00 4.06 O ATOM 1034 CB ARG A 69 12.152 10.940 2.753 1.00 3.24 C ATOM 1035 CG ARG A 69 11.833 12.431 2.879 1.00 4.57 C ATOM 1036 CD ARG A 69 12.458 13.021 4.144 1.00 5.48 C ATOM 1037 NE ARG A 69 13.856 12.556 4.282 1.00 5.47 N ATOM 1038 CZ ARG A 69 14.478 12.382 5.457 1.00 6.25 C ATOM 1039 NH1 ARG A 69 14.091 13.085 6.530 1.00 7.01 N ATOM 1040 NH2 ARG A 69 15.485 11.504 5.558 1.00 6.84 N ATOM 0 H ARG A 69 11.569 8.131 3.868 1.00 2.22 H new ATOM 0 HA ARG A 69 12.365 10.693 4.875 1.00 2.83 H new ATOM 0 HB2 ARG A 69 13.204 10.810 2.499 1.00 3.24 H new ATOM 0 HB3 ARG A 69 11.571 10.508 1.938 1.00 3.24 H new ATOM 0 HG2 ARG A 69 12.207 12.962 2.003 1.00 4.57 H new ATOM 0 HG3 ARG A 69 10.753 12.575 2.902 1.00 4.57 H new ATOM 0 HD2 ARG A 69 12.431 14.110 4.099 1.00 5.48 H new ATOM 0 HD3 ARG A 69 11.879 12.724 5.018 1.00 5.48 H new ATOM 0 HE ARG A 69 14.379 12.355 3.430 1.00 5.47 H new ATOM 0 HH11 ARG A 69 13.323 13.752 6.453 1.00 7.01 H new ATOM 0 HH12 ARG A 69 14.564 12.953 7.424 1.00 7.01 H new ATOM 0 HH21 ARG A 69 15.778 10.968 4.741 1.00 6.84 H new ATOM 0 HH22 ARG A 69 15.958 11.371 6.452 1.00 6.84 H new ATOM 1054 N HIS A 70 9.962 9.912 5.539 1.00 2.73 N ATOM 1055 CA HIS A 70 8.577 10.033 5.960 1.00 3.24 C ATOM 1056 C HIS A 70 7.970 11.307 5.370 1.00 3.64 C ATOM 1057 O HIS A 70 8.268 12.410 5.825 1.00 4.11 O ATOM 1058 CB HIS A 70 8.467 9.976 7.485 1.00 3.69 C ATOM 1059 CG HIS A 70 8.830 8.635 8.078 1.00 3.48 C ATOM 1060 ND1 HIS A 70 8.015 7.521 7.968 1.00 4.03 N ATOM 1061 CD2 HIS A 70 9.928 8.241 8.784 1.00 3.58 C ATOM 1062 CE1 HIS A 70 8.606 6.509 8.586 1.00 4.02 C ATOM 1063 NE2 HIS A 70 9.791 6.957 9.091 1.00 3.87 N ATOM 0 H HIS A 70 10.597 9.561 6.256 1.00 2.73 H new ATOM 0 HA HIS A 70 8.002 9.189 5.579 1.00 3.24 H new ATOM 0 HB2 HIS A 70 9.116 10.739 7.914 1.00 3.69 H new ATOM 0 HB3 HIS A 70 7.446 10.226 7.775 1.00 3.69 H new ATOM 0 HD2 HIS A 70 10.767 8.868 9.049 1.00 3.58 H new ATOM 0 HE1 HIS A 70 8.217 5.505 8.674 1.00 4.02 H new ATOM 0 HE2 HIS A 70 10.462 6.397 9.618 1.00 3.87 H new ATOM 1071 N ASN A 71 7.130 11.113 4.364 1.00 3.93 N ATOM 1072 CA ASN A 71 6.501 12.234 3.685 1.00 4.57 C ATOM 1073 C ASN A 71 5.592 11.707 2.574 1.00 4.90 C ATOM 1074 O ASN A 71 4.448 12.141 2.446 1.00 5.74 O ATOM 1075 CB ASN A 71 7.549 13.147 3.045 1.00 4.78 C ATOM 1076 CG ASN A 71 6.886 14.326 2.332 1.00 5.77 C ATOM 1077 OD1 ASN A 71 6.617 15.365 2.913 1.00 6.14 O ATOM 1078 ND2 ASN A 71 6.636 14.109 1.043 1.00 6.79 N ATOM 0 H ASN A 71 6.870 10.195 4.002 1.00 3.93 H new ATOM 0 HA ASN A 71 5.931 12.799 4.423 1.00 4.57 H new ATOM 0 HB2 ASN A 71 8.231 13.517 3.811 1.00 4.78 H new ATOM 0 HB3 ASN A 71 8.147 12.577 2.334 1.00 4.78 H new ATOM 0 HD21 ASN A 71 6.194 14.835 0.480 1.00 6.79 H new ATOM 0 HD22 ASN A 71 6.887 13.216 0.618 1.00 6.79 H new ATOM 1085 N GLY A 72 6.133 10.779 1.799 1.00 4.50 N ATOM 1086 CA GLY A 72 5.365 10.147 0.740 1.00 5.06 C ATOM 1087 C GLY A 72 6.191 10.029 -0.542 1.00 4.12 C ATOM 1088 O GLY A 72 5.761 10.471 -1.606 1.00 4.54 O ATOM 0 H GLY A 72 7.095 10.449 1.883 1.00 4.50 H new ATOM 0 HA2 GLY A 72 5.043 9.157 1.061 1.00 5.06 H new ATOM 0 HA3 GLY A 72 4.464 10.728 0.544 1.00 5.06 H new ATOM 1092 N THR A 73 7.365 9.431 -0.399 1.00 3.36 N ATOM 1093 CA THR A 73 8.287 9.315 -1.515 1.00 2.80 C ATOM 1094 C THR A 73 9.554 8.573 -1.085 1.00 2.33 C ATOM 1095 O THR A 73 10.079 7.748 -1.833 1.00 3.25 O ATOM 1096 CB THR A 73 8.559 10.721 -2.052 1.00 2.80 C ATOM 1097 OG1 THR A 73 9.696 10.557 -2.897 1.00 3.70 O ATOM 1098 CG2 THR A 73 9.041 11.681 -0.963 1.00 2.92 C ATOM 0 H THR A 73 7.698 9.022 0.474 1.00 3.36 H new ATOM 0 HA THR A 73 7.858 8.721 -2.322 1.00 2.80 H new ATOM 0 HB THR A 73 7.652 11.116 -2.509 1.00 2.80 H new ATOM 0 HG1 THR A 73 9.940 11.422 -3.289 1.00 3.70 H new ATOM 0 HG21 THR A 73 9.219 12.664 -1.398 1.00 2.92 H new ATOM 0 HG22 THR A 73 8.281 11.760 -0.186 1.00 2.92 H new ATOM 0 HG23 THR A 73 9.967 11.303 -0.529 1.00 2.92 H new ATOM 1106 N GLY A 74 10.009 8.892 0.117 1.00 1.84 N ATOM 1107 CA GLY A 74 11.261 8.345 0.614 1.00 1.83 C ATOM 1108 C GLY A 74 11.378 6.856 0.283 1.00 1.90 C ATOM 1109 O GLY A 74 12.341 6.432 -0.354 1.00 2.89 O ATOM 0 H GLY A 74 9.533 9.523 0.762 1.00 1.84 H new ATOM 0 HA2 GLY A 74 12.099 8.886 0.174 1.00 1.83 H new ATOM 0 HA3 GLY A 74 11.321 8.487 1.693 1.00 1.83 H new ATOM 1113 N GLY A 75 10.384 6.103 0.730 1.00 1.99 N ATOM 1114 CA GLY A 75 10.413 4.658 0.579 1.00 2.24 C ATOM 1115 C GLY A 75 11.164 4.254 -0.690 1.00 1.74 C ATOM 1116 O GLY A 75 10.790 4.655 -1.792 1.00 2.18 O ATOM 0 H GLY A 75 9.553 6.466 1.197 1.00 1.99 H new ATOM 0 HA2 GLY A 75 10.892 4.208 1.448 1.00 2.24 H new ATOM 0 HA3 GLY A 75 9.394 4.272 0.541 1.00 2.24 H new ATOM 1120 N LYS A 76 12.210 3.465 -0.496 1.00 1.81 N ATOM 1121 CA LYS A 76 12.990 2.964 -1.615 1.00 1.66 C ATOM 1122 C LYS A 76 12.356 1.673 -2.136 1.00 1.42 C ATOM 1123 O LYS A 76 11.377 1.187 -1.572 1.00 1.63 O ATOM 1124 CB LYS A 76 14.460 2.812 -1.218 1.00 2.14 C ATOM 1125 CG LYS A 76 15.017 4.125 -0.665 1.00 3.07 C ATOM 1126 CD LYS A 76 15.029 5.213 -1.740 1.00 3.63 C ATOM 1127 CE LYS A 76 15.855 6.419 -1.290 1.00 4.32 C ATOM 1128 NZ LYS A 76 17.232 6.334 -1.827 1.00 4.75 N ATOM 0 H LYS A 76 12.536 3.160 0.421 1.00 1.81 H new ATOM 0 HA LYS A 76 12.979 3.679 -2.438 1.00 1.66 H new ATOM 0 HB2 LYS A 76 14.559 2.027 -0.469 1.00 2.14 H new ATOM 0 HB3 LYS A 76 15.044 2.501 -2.084 1.00 2.14 H new ATOM 0 HG2 LYS A 76 14.413 4.452 0.181 1.00 3.07 H new ATOM 0 HG3 LYS A 76 16.029 3.966 -0.292 1.00 3.07 H new ATOM 0 HD2 LYS A 76 15.441 4.810 -2.665 1.00 3.63 H new ATOM 0 HD3 LYS A 76 14.008 5.527 -1.956 1.00 3.63 H new ATOM 0 HE2 LYS A 76 15.381 7.339 -1.632 1.00 4.32 H new ATOM 0 HE3 LYS A 76 15.885 6.461 -0.201 1.00 4.32 H new ATOM 0 HZ1 LYS A 76 17.896 6.756 -1.147 1.00 4.75 H new ATOM 0 HZ2 LYS A 76 17.483 5.337 -1.983 1.00 4.75 H new ATOM 0 HZ3 LYS A 76 17.285 6.849 -2.729 1.00 4.75 H new ATOM 1142 N SER A 77 12.941 1.153 -3.205 1.00 1.30 N ATOM 1143 CA SER A 77 12.415 -0.042 -3.839 1.00 1.23 C ATOM 1144 C SER A 77 13.269 -1.255 -3.461 1.00 1.29 C ATOM 1145 O SER A 77 14.162 -1.151 -2.620 1.00 1.89 O ATOM 1146 CB SER A 77 12.365 0.117 -5.361 1.00 1.46 C ATOM 1147 OG SER A 77 11.919 -1.072 -6.007 1.00 1.92 O ATOM 0 H SER A 77 13.775 1.539 -3.648 1.00 1.30 H new ATOM 0 HA SER A 77 11.396 -0.197 -3.483 1.00 1.23 H new ATOM 0 HB2 SER A 77 11.699 0.941 -5.618 1.00 1.46 H new ATOM 0 HB3 SER A 77 13.356 0.381 -5.731 1.00 1.46 H new ATOM 0 HG SER A 77 11.368 -0.836 -6.782 1.00 1.92 H new ATOM 1153 N ILE A 78 12.965 -2.375 -4.098 1.00 1.06 N ATOM 1154 CA ILE A 78 13.660 -3.617 -3.803 1.00 1.32 C ATOM 1155 C ILE A 78 14.852 -3.765 -4.750 1.00 1.37 C ATOM 1156 O ILE A 78 15.858 -4.377 -4.396 1.00 1.79 O ATOM 1157 CB ILE A 78 12.689 -4.798 -3.847 1.00 1.55 C ATOM 1158 CG1 ILE A 78 12.815 -5.659 -2.589 1.00 2.79 C ATOM 1159 CG2 ILE A 78 12.881 -5.618 -5.125 1.00 2.28 C ATOM 1160 CD1 ILE A 78 13.909 -6.715 -2.755 1.00 2.93 C ATOM 0 H ILE A 78 12.246 -2.449 -4.818 1.00 1.06 H new ATOM 0 HA ILE A 78 14.058 -3.600 -2.788 1.00 1.32 H new ATOM 0 HB ILE A 78 11.673 -4.404 -3.867 1.00 1.55 H new ATOM 0 HG12 ILE A 78 13.043 -5.026 -1.732 1.00 2.79 H new ATOM 0 HG13 ILE A 78 11.863 -6.146 -2.381 1.00 2.79 H new ATOM 0 HG21 ILE A 78 12.179 -6.452 -5.131 1.00 2.28 H new ATOM 0 HG22 ILE A 78 12.701 -4.985 -5.994 1.00 2.28 H new ATOM 0 HG23 ILE A 78 13.900 -6.002 -5.161 1.00 2.28 H new ATOM 0 HD11 ILE A 78 13.978 -7.313 -1.847 1.00 2.93 H new ATOM 0 HD12 ILE A 78 13.666 -7.362 -3.598 1.00 2.93 H new ATOM 0 HD13 ILE A 78 14.864 -6.223 -2.939 1.00 2.93 H new ATOM 1172 N TYR A 79 14.701 -3.194 -5.936 1.00 1.18 N ATOM 1173 CA TYR A 79 15.750 -3.263 -6.939 1.00 1.49 C ATOM 1174 C TYR A 79 16.638 -2.018 -6.890 1.00 1.69 C ATOM 1175 O TYR A 79 17.684 -1.972 -7.535 1.00 2.21 O ATOM 1176 CB TYR A 79 15.037 -3.313 -8.292 1.00 1.51 C ATOM 1177 CG TYR A 79 13.940 -4.377 -8.379 1.00 1.48 C ATOM 1178 CD1 TYR A 79 14.273 -5.715 -8.346 1.00 2.44 C ATOM 1179 CD2 TYR A 79 12.618 -3.996 -8.489 1.00 2.55 C ATOM 1180 CE1 TYR A 79 13.241 -6.716 -8.428 1.00 2.44 C ATOM 1181 CE2 TYR A 79 11.586 -4.998 -8.570 1.00 3.16 C ATOM 1182 CZ TYR A 79 11.948 -6.307 -8.536 1.00 2.35 C ATOM 1183 OH TYR A 79 10.974 -7.253 -8.612 1.00 2.96 O ATOM 0 H TYR A 79 13.868 -2.681 -6.225 1.00 1.18 H new ATOM 0 HA TYR A 79 16.387 -4.131 -6.769 1.00 1.49 H new ATOM 0 HB2 TYR A 79 14.598 -2.336 -8.496 1.00 1.51 H new ATOM 0 HB3 TYR A 79 15.774 -3.501 -9.073 1.00 1.51 H new ATOM 0 HD1 TYR A 79 15.308 -6.012 -8.259 1.00 2.44 H new ATOM 0 HD2 TYR A 79 12.358 -2.948 -8.514 1.00 2.55 H new ATOM 0 HE1 TYR A 79 13.488 -7.767 -8.404 1.00 2.44 H new ATOM 0 HE2 TYR A 79 10.547 -4.715 -8.656 1.00 3.16 H new ATOM 0 HH TYR A 79 10.095 -6.821 -8.583 1.00 2.96 H new ATOM 1193 N GLY A 80 16.188 -1.039 -6.119 1.00 1.41 N ATOM 1194 CA GLY A 80 16.932 0.200 -5.971 1.00 1.60 C ATOM 1195 C GLY A 80 16.092 1.263 -5.259 1.00 1.84 C ATOM 1196 O GLY A 80 15.519 1.001 -4.203 1.00 2.99 O ATOM 0 H GLY A 80 15.317 -1.079 -5.590 1.00 1.41 H new ATOM 0 HA2 GLY A 80 17.845 0.015 -5.406 1.00 1.60 H new ATOM 0 HA3 GLY A 80 17.233 0.567 -6.952 1.00 1.60 H new ATOM 1200 N GLU A 81 16.045 2.440 -5.867 1.00 1.52 N ATOM 1201 CA GLU A 81 15.170 3.495 -5.386 1.00 1.51 C ATOM 1202 C GLU A 81 13.829 3.450 -6.122 1.00 1.42 C ATOM 1203 O GLU A 81 12.773 3.581 -5.505 1.00 1.49 O ATOM 1204 CB GLU A 81 15.831 4.866 -5.537 1.00 1.66 C ATOM 1205 CG GLU A 81 14.835 5.990 -5.247 1.00 2.26 C ATOM 1206 CD GLU A 81 15.561 7.315 -4.997 1.00 2.53 C ATOM 1207 OE1 GLU A 81 16.532 7.290 -4.211 1.00 3.02 O ATOM 1208 OE2 GLU A 81 15.128 8.321 -5.599 1.00 3.25 O ATOM 0 H GLU A 81 16.599 2.686 -6.688 1.00 1.52 H new ATOM 0 HA GLU A 81 14.986 3.331 -4.324 1.00 1.51 H new ATOM 0 HB2 GLU A 81 16.679 4.942 -4.856 1.00 1.66 H new ATOM 0 HB3 GLU A 81 16.224 4.975 -6.548 1.00 1.66 H new ATOM 0 HG2 GLU A 81 14.150 6.100 -6.088 1.00 2.26 H new ATOM 0 HG3 GLU A 81 14.232 5.731 -4.376 1.00 2.26 H new ATOM 1215 N LYS A 82 13.915 3.263 -7.432 1.00 1.38 N ATOM 1216 CA LYS A 82 12.721 3.115 -8.246 1.00 1.32 C ATOM 1217 C LYS A 82 12.907 1.939 -9.208 1.00 1.35 C ATOM 1218 O LYS A 82 13.980 1.338 -9.258 1.00 1.46 O ATOM 1219 CB LYS A 82 12.381 4.432 -8.944 1.00 1.31 C ATOM 1220 CG LYS A 82 11.997 5.509 -7.926 1.00 2.05 C ATOM 1221 CD LYS A 82 12.468 6.891 -8.385 1.00 2.56 C ATOM 1222 CE LYS A 82 11.827 7.995 -7.543 1.00 3.82 C ATOM 1223 NZ LYS A 82 12.524 8.124 -6.243 1.00 5.08 N ATOM 0 H LYS A 82 14.793 3.211 -7.949 1.00 1.38 H new ATOM 0 HA LYS A 82 11.860 2.882 -7.620 1.00 1.32 H new ATOM 0 HB2 LYS A 82 13.236 4.769 -9.530 1.00 1.31 H new ATOM 0 HB3 LYS A 82 11.558 4.276 -9.642 1.00 1.31 H new ATOM 0 HG2 LYS A 82 10.916 5.516 -7.790 1.00 2.05 H new ATOM 0 HG3 LYS A 82 12.439 5.273 -6.958 1.00 2.05 H new ATOM 0 HD2 LYS A 82 13.553 6.954 -8.308 1.00 2.56 H new ATOM 0 HD3 LYS A 82 12.214 7.036 -9.435 1.00 2.56 H new ATOM 0 HE2 LYS A 82 11.869 8.942 -8.081 1.00 3.82 H new ATOM 0 HE3 LYS A 82 10.774 7.769 -7.377 1.00 3.82 H new ATOM 0 HZ1 LYS A 82 12.256 9.023 -5.793 1.00 5.08 H new ATOM 0 HZ2 LYS A 82 12.253 7.333 -5.624 1.00 5.08 H new ATOM 0 HZ3 LYS A 82 13.552 8.107 -6.397 1.00 5.08 H new ATOM 1237 N PHE A 83 11.848 1.648 -9.948 1.00 1.34 N ATOM 1238 CA PHE A 83 11.906 0.606 -10.959 1.00 1.49 C ATOM 1239 C PHE A 83 10.684 0.665 -11.878 1.00 1.37 C ATOM 1240 O PHE A 83 9.654 1.229 -11.511 1.00 1.28 O ATOM 1241 CB PHE A 83 11.908 -0.734 -10.220 1.00 1.76 C ATOM 1242 CG PHE A 83 10.547 -1.132 -9.648 1.00 1.60 C ATOM 1243 CD1 PHE A 83 10.033 -0.459 -8.584 1.00 3.12 C ATOM 1244 CD2 PHE A 83 9.849 -2.160 -10.203 1.00 1.67 C ATOM 1245 CE1 PHE A 83 8.768 -0.828 -8.053 1.00 3.43 C ATOM 1246 CE2 PHE A 83 8.586 -2.529 -9.671 1.00 1.72 C ATOM 1247 CZ PHE A 83 8.072 -1.855 -8.608 1.00 2.17 C ATOM 0 H PHE A 83 10.945 2.115 -9.868 1.00 1.34 H new ATOM 0 HA PHE A 83 12.797 0.734 -11.574 1.00 1.49 H new ATOM 0 HB2 PHE A 83 12.245 -1.513 -10.903 1.00 1.76 H new ATOM 0 HB3 PHE A 83 12.633 -0.688 -9.407 1.00 1.76 H new ATOM 0 HD1 PHE A 83 10.587 0.356 -8.142 1.00 3.12 H new ATOM 0 HD2 PHE A 83 10.256 -2.695 -11.048 1.00 1.67 H new ATOM 0 HE1 PHE A 83 8.360 -0.293 -7.209 1.00 3.43 H new ATOM 0 HE2 PHE A 83 8.033 -3.346 -10.111 1.00 1.72 H new ATOM 0 HZ PHE A 83 7.110 -2.136 -8.205 1.00 2.17 H new ATOM 1257 N GLU A 84 10.838 0.075 -13.054 1.00 1.47 N ATOM 1258 CA GLU A 84 9.826 0.195 -14.089 1.00 1.41 C ATOM 1259 C GLU A 84 8.474 -0.302 -13.572 1.00 1.35 C ATOM 1260 O GLU A 84 8.415 -1.034 -12.584 1.00 1.39 O ATOM 1261 CB GLU A 84 10.242 -0.564 -15.353 1.00 1.52 C ATOM 1262 CG GLU A 84 10.541 -2.031 -15.037 1.00 2.38 C ATOM 1263 CD GLU A 84 10.651 -2.856 -16.322 1.00 2.65 C ATOM 1264 OE1 GLU A 84 9.596 -3.359 -16.764 1.00 3.46 O ATOM 1265 OE2 GLU A 84 11.787 -2.964 -16.830 1.00 3.13 O ATOM 0 H GLU A 84 11.648 -0.488 -13.313 1.00 1.47 H new ATOM 0 HA GLU A 84 9.727 1.248 -14.352 1.00 1.41 H new ATOM 0 HB2 GLU A 84 9.447 -0.503 -16.097 1.00 1.52 H new ATOM 0 HB3 GLU A 84 11.124 -0.095 -15.790 1.00 1.52 H new ATOM 0 HG2 GLU A 84 11.471 -2.103 -14.473 1.00 2.38 H new ATOM 0 HG3 GLU A 84 9.752 -2.439 -14.405 1.00 2.38 H new ATOM 1272 N ASP A 85 7.423 0.114 -14.262 1.00 1.39 N ATOM 1273 CA ASP A 85 6.081 -0.323 -13.918 1.00 1.41 C ATOM 1274 C ASP A 85 5.814 -1.686 -14.562 1.00 1.52 C ATOM 1275 O ASP A 85 6.713 -2.286 -15.148 1.00 2.26 O ATOM 1276 CB ASP A 85 5.031 0.659 -14.438 1.00 1.37 C ATOM 1277 CG ASP A 85 5.383 2.137 -14.259 1.00 2.37 C ATOM 1278 OD1 ASP A 85 6.383 2.562 -14.876 1.00 3.62 O ATOM 1279 OD2 ASP A 85 4.644 2.810 -13.508 1.00 3.03 O ATOM 0 H ASP A 85 7.474 0.749 -15.058 1.00 1.39 H new ATOM 0 HA ASP A 85 6.013 -0.381 -12.832 1.00 1.41 H new ATOM 0 HB2 ASP A 85 4.868 0.466 -15.498 1.00 1.37 H new ATOM 0 HB3 ASP A 85 4.087 0.462 -13.929 1.00 1.37 H new ATOM 1284 N GLU A 86 4.573 -2.134 -14.429 1.00 1.23 N ATOM 1285 CA GLU A 86 4.167 -3.397 -15.021 1.00 1.28 C ATOM 1286 C GLU A 86 3.221 -3.151 -16.198 1.00 1.20 C ATOM 1287 O GLU A 86 3.636 -3.204 -17.355 1.00 1.36 O ATOM 1288 CB GLU A 86 3.518 -4.308 -13.977 1.00 1.38 C ATOM 1289 CG GLU A 86 4.487 -5.404 -13.529 1.00 2.07 C ATOM 1290 CD GLU A 86 4.799 -6.364 -14.678 1.00 2.44 C ATOM 1291 OE1 GLU A 86 3.840 -7.011 -15.153 1.00 3.27 O ATOM 1292 OE2 GLU A 86 5.988 -6.430 -15.057 1.00 3.30 O ATOM 0 H GLU A 86 3.837 -1.645 -13.920 1.00 1.23 H new ATOM 0 HA GLU A 86 5.057 -3.904 -15.395 1.00 1.28 H new ATOM 0 HB2 GLU A 86 3.208 -3.717 -13.115 1.00 1.38 H new ATOM 0 HB3 GLU A 86 2.618 -4.761 -14.393 1.00 1.38 H new ATOM 0 HG2 GLU A 86 5.411 -4.952 -13.167 1.00 2.07 H new ATOM 0 HG3 GLU A 86 4.055 -5.957 -12.695 1.00 2.07 H new ATOM 1299 N ASN A 87 1.966 -2.888 -15.863 1.00 1.03 N ATOM 1300 CA ASN A 87 0.940 -2.720 -16.877 1.00 0.96 C ATOM 1301 C ASN A 87 -0.406 -2.463 -16.196 1.00 0.76 C ATOM 1302 O ASN A 87 -0.526 -2.592 -14.978 1.00 0.80 O ATOM 1303 CB ASN A 87 0.803 -3.977 -17.737 1.00 1.08 C ATOM 1304 CG ASN A 87 0.923 -5.241 -16.883 1.00 1.23 C ATOM 1305 OD1 ASN A 87 0.000 -5.649 -16.198 1.00 2.11 O ATOM 1306 ND2 ASN A 87 2.110 -5.836 -16.962 1.00 1.79 N ATOM 0 H ASN A 87 1.637 -2.787 -14.903 1.00 1.03 H new ATOM 0 HA ASN A 87 1.227 -1.881 -17.510 1.00 0.96 H new ATOM 0 HB2 ASN A 87 -0.160 -3.969 -18.248 1.00 1.08 H new ATOM 0 HB3 ASN A 87 1.573 -3.980 -18.508 1.00 1.08 H new ATOM 0 HD21 ASN A 87 2.290 -6.687 -16.429 1.00 1.79 H new ATOM 0 HD22 ASN A 87 2.840 -5.441 -17.555 1.00 1.79 H new ATOM 1313 N PHE A 88 -1.387 -2.104 -17.012 1.00 0.72 N ATOM 1314 CA PHE A 88 -2.726 -1.854 -16.507 1.00 0.62 C ATOM 1315 C PHE A 88 -3.696 -2.948 -16.959 1.00 0.72 C ATOM 1316 O PHE A 88 -4.826 -2.659 -17.347 1.00 0.79 O ATOM 1317 CB PHE A 88 -3.181 -0.514 -17.090 1.00 0.64 C ATOM 1318 CG PHE A 88 -2.137 0.600 -16.977 1.00 0.70 C ATOM 1319 CD1 PHE A 88 -1.775 1.070 -15.753 1.00 1.76 C ATOM 1320 CD2 PHE A 88 -1.573 1.119 -18.100 1.00 2.20 C ATOM 1321 CE1 PHE A 88 -0.808 2.104 -15.648 1.00 1.72 C ATOM 1322 CE2 PHE A 88 -0.605 2.153 -17.995 1.00 2.32 C ATOM 1323 CZ PHE A 88 -0.243 2.623 -16.771 1.00 0.96 C ATOM 0 H PHE A 88 -1.281 -1.980 -18.019 1.00 0.72 H new ATOM 0 HA PHE A 88 -2.716 -1.842 -15.417 1.00 0.62 H new ATOM 0 HB2 PHE A 88 -3.436 -0.654 -18.141 1.00 0.64 H new ATOM 0 HB3 PHE A 88 -4.091 -0.198 -16.581 1.00 0.64 H new ATOM 0 HD1 PHE A 88 -2.223 0.657 -14.861 1.00 1.76 H new ATOM 0 HD2 PHE A 88 -1.861 0.745 -19.071 1.00 2.20 H new ATOM 0 HE1 PHE A 88 -0.521 2.478 -14.676 1.00 1.72 H new ATOM 0 HE2 PHE A 88 -0.157 2.566 -18.887 1.00 2.32 H new ATOM 0 HZ PHE A 88 0.494 3.409 -16.691 1.00 0.96 H new ATOM 1333 N ILE A 89 -3.217 -4.182 -16.892 1.00 0.81 N ATOM 1334 CA ILE A 89 -4.040 -5.324 -17.255 1.00 0.95 C ATOM 1335 C ILE A 89 -5.236 -5.407 -16.306 1.00 0.88 C ATOM 1336 O ILE A 89 -6.322 -5.825 -16.706 1.00 1.07 O ATOM 1337 CB ILE A 89 -3.196 -6.600 -17.296 1.00 1.11 C ATOM 1338 CG1 ILE A 89 -2.247 -6.591 -18.496 1.00 1.26 C ATOM 1339 CG2 ILE A 89 -4.085 -7.845 -17.277 1.00 1.25 C ATOM 1340 CD1 ILE A 89 -1.218 -7.719 -18.388 1.00 1.30 C ATOM 0 H ILE A 89 -2.271 -4.416 -16.592 1.00 0.81 H new ATOM 0 HA ILE A 89 -4.440 -5.202 -18.261 1.00 0.95 H new ATOM 0 HB ILE A 89 -2.579 -6.631 -16.398 1.00 1.11 H new ATOM 0 HG12 ILE A 89 -2.819 -6.702 -19.417 1.00 1.26 H new ATOM 0 HG13 ILE A 89 -1.735 -5.630 -18.552 1.00 1.26 H new ATOM 0 HG21 ILE A 89 -3.461 -8.738 -17.307 1.00 1.25 H new ATOM 0 HG22 ILE A 89 -4.684 -7.851 -16.366 1.00 1.25 H new ATOM 0 HG23 ILE A 89 -4.745 -7.834 -18.145 1.00 1.25 H new ATOM 0 HD11 ILE A 89 -0.555 -7.691 -19.253 1.00 1.30 H new ATOM 0 HD12 ILE A 89 -0.632 -7.591 -17.478 1.00 1.30 H new ATOM 0 HD13 ILE A 89 -1.733 -8.679 -18.356 1.00 1.30 H new ATOM 1352 N LEU A 90 -4.998 -5.002 -15.067 1.00 0.70 N ATOM 1353 CA LEU A 90 -6.038 -5.042 -14.054 1.00 0.64 C ATOM 1354 C LEU A 90 -6.891 -3.776 -14.155 1.00 0.68 C ATOM 1355 O LEU A 90 -6.602 -2.890 -14.957 1.00 0.91 O ATOM 1356 CB LEU A 90 -5.428 -5.263 -12.668 1.00 0.57 C ATOM 1357 CG LEU A 90 -4.771 -6.626 -12.434 1.00 0.84 C ATOM 1358 CD1 LEU A 90 -5.716 -7.764 -12.825 1.00 1.39 C ATOM 1359 CD2 LEU A 90 -3.429 -6.719 -13.162 1.00 2.52 C ATOM 0 H LEU A 90 -4.100 -4.644 -14.742 1.00 0.70 H new ATOM 0 HA LEU A 90 -6.702 -5.889 -14.224 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -4.682 -4.487 -12.493 1.00 0.57 H new ATOM 0 HB3 LEU A 90 -6.211 -5.126 -11.922 1.00 0.57 H new ATOM 0 HG LEU A 90 -4.567 -6.729 -11.368 1.00 0.84 H new ATOM 0 HD11 LEU A 90 -5.225 -8.721 -12.649 1.00 1.39 H new ATOM 0 HD12 LEU A 90 -6.624 -7.706 -12.224 1.00 1.39 H new ATOM 0 HD13 LEU A 90 -5.973 -7.677 -13.881 1.00 1.39 H new ATOM 0 HD21 LEU A 90 -2.983 -7.697 -12.980 1.00 2.52 H new ATOM 0 HD22 LEU A 90 -3.586 -6.586 -14.232 1.00 2.52 H new ATOM 0 HD23 LEU A 90 -2.760 -5.941 -12.794 1.00 2.52 H new ATOM 1371 N LYS A 91 -7.928 -3.731 -13.329 1.00 0.64 N ATOM 1372 CA LYS A 91 -8.781 -2.558 -13.263 1.00 0.68 C ATOM 1373 C LYS A 91 -9.204 -2.322 -11.812 1.00 0.66 C ATOM 1374 O LYS A 91 -8.863 -3.104 -10.927 1.00 0.66 O ATOM 1375 CB LYS A 91 -9.958 -2.696 -14.231 1.00 0.84 C ATOM 1376 CG LYS A 91 -10.816 -3.913 -13.882 1.00 2.40 C ATOM 1377 CD LYS A 91 -11.988 -4.056 -14.854 1.00 2.62 C ATOM 1378 CE LYS A 91 -12.762 -5.350 -14.594 1.00 4.14 C ATOM 1379 NZ LYS A 91 -13.917 -5.456 -15.513 1.00 5.16 N ATOM 0 H LYS A 91 -8.195 -4.489 -12.701 1.00 0.64 H new ATOM 0 HA LYS A 91 -8.235 -1.671 -13.585 1.00 0.68 H new ATOM 0 HB2 LYS A 91 -10.569 -1.794 -14.197 1.00 0.84 H new ATOM 0 HB3 LYS A 91 -9.585 -2.790 -15.251 1.00 0.84 H new ATOM 0 HG2 LYS A 91 -10.203 -4.814 -13.911 1.00 2.40 H new ATOM 0 HG3 LYS A 91 -11.193 -3.816 -12.864 1.00 2.40 H new ATOM 0 HD2 LYS A 91 -12.657 -3.201 -14.751 1.00 2.62 H new ATOM 0 HD3 LYS A 91 -11.618 -4.049 -15.879 1.00 2.62 H new ATOM 0 HE2 LYS A 91 -12.103 -6.208 -14.728 1.00 4.14 H new ATOM 0 HE3 LYS A 91 -13.108 -5.372 -13.561 1.00 4.14 H new ATOM 0 HZ1 LYS A 91 -14.432 -6.340 -15.323 1.00 5.16 H new ATOM 0 HZ2 LYS A 91 -14.553 -4.647 -15.366 1.00 5.16 H new ATOM 0 HZ3 LYS A 91 -13.579 -5.456 -16.497 1.00 5.16 H new ATOM 1393 N HIS A 92 -9.940 -1.238 -11.612 1.00 0.71 N ATOM 1394 CA HIS A 92 -10.415 -0.890 -10.285 1.00 0.69 C ATOM 1395 C HIS A 92 -11.923 -1.134 -10.198 1.00 0.72 C ATOM 1396 O HIS A 92 -12.715 -0.327 -10.680 1.00 0.91 O ATOM 1397 CB HIS A 92 -10.026 0.546 -9.927 1.00 0.69 C ATOM 1398 CG HIS A 92 -8.537 0.787 -9.888 1.00 0.80 C ATOM 1399 ND1 HIS A 92 -7.919 1.500 -8.875 1.00 1.11 N ATOM 1400 CD2 HIS A 92 -7.548 0.403 -10.746 1.00 2.29 C ATOM 1401 CE1 HIS A 92 -6.617 1.537 -9.123 1.00 0.78 C ATOM 1402 NE2 HIS A 92 -6.391 0.857 -10.283 1.00 1.77 N ATOM 0 H HIS A 92 -10.219 -0.589 -12.348 1.00 0.71 H new ATOM 0 HA HIS A 92 -9.935 -1.530 -9.545 1.00 0.69 H new ATOM 0 HB2 HIS A 92 -10.475 1.225 -10.652 1.00 0.69 H new ATOM 0 HB3 HIS A 92 -10.450 0.794 -8.954 1.00 0.69 H new ATOM 0 HD2 HIS A 92 -7.684 -0.173 -11.649 1.00 2.29 H new ATOM 0 HE1 HIS A 92 -5.868 2.020 -8.514 1.00 0.78 H new ATOM 0 HE2 HIS A 92 -5.481 0.720 -10.723 1.00 1.77 H new ATOM 1410 N THR A 93 -12.274 -2.253 -9.580 1.00 0.58 N ATOM 1411 CA THR A 93 -13.670 -2.641 -9.471 1.00 0.61 C ATOM 1412 C THR A 93 -14.357 -1.850 -8.356 1.00 0.57 C ATOM 1413 O THR A 93 -15.505 -1.432 -8.503 1.00 0.66 O ATOM 1414 CB THR A 93 -13.724 -4.156 -9.263 1.00 0.69 C ATOM 1415 OG1 THR A 93 -12.720 -4.409 -8.286 1.00 0.66 O ATOM 1416 CG2 THR A 93 -13.252 -4.932 -10.494 1.00 0.85 C ATOM 0 H THR A 93 -11.616 -2.903 -9.150 1.00 0.58 H new ATOM 0 HA THR A 93 -14.220 -2.403 -10.382 1.00 0.61 H new ATOM 0 HB THR A 93 -14.743 -4.452 -9.016 1.00 0.69 H new ATOM 0 HG1 THR A 93 -11.944 -4.827 -8.715 1.00 0.66 H new ATOM 0 HG21 THR A 93 -13.310 -6.002 -10.294 1.00 0.85 H new ATOM 0 HG22 THR A 93 -13.888 -4.687 -11.345 1.00 0.85 H new ATOM 0 HG23 THR A 93 -12.221 -4.661 -10.722 1.00 0.85 H new ATOM 1424 N GLY A 94 -13.626 -1.668 -7.266 1.00 0.56 N ATOM 1425 CA GLY A 94 -14.174 -0.991 -6.103 1.00 0.55 C ATOM 1426 C GLY A 94 -13.235 -1.119 -4.901 1.00 0.54 C ATOM 1427 O GLY A 94 -12.016 -1.137 -5.061 1.00 0.60 O ATOM 0 H GLY A 94 -12.659 -1.977 -7.164 1.00 0.56 H new ATOM 0 HA2 GLY A 94 -14.335 0.062 -6.333 1.00 0.55 H new ATOM 0 HA3 GLY A 94 -15.147 -1.415 -5.856 1.00 0.55 H new ATOM 1431 N PRO A 95 -13.855 -1.208 -3.694 1.00 0.49 N ATOM 1432 CA PRO A 95 -13.087 -1.331 -2.466 1.00 0.51 C ATOM 1433 C PRO A 95 -12.516 -2.742 -2.316 1.00 0.53 C ATOM 1434 O PRO A 95 -12.953 -3.669 -2.996 1.00 0.63 O ATOM 1435 CB PRO A 95 -14.060 -0.962 -1.357 1.00 0.50 C ATOM 1436 CG PRO A 95 -15.449 -1.098 -1.958 1.00 0.50 C ATOM 1437 CD PRO A 95 -15.297 -1.195 -3.468 1.00 0.48 C ATOM 0 HA PRO A 95 -12.215 -0.678 -2.447 1.00 0.51 H new ATOM 0 HB2 PRO A 95 -13.940 -1.621 -0.497 1.00 0.50 H new ATOM 0 HB3 PRO A 95 -13.884 0.055 -1.006 1.00 0.50 H new ATOM 0 HG2 PRO A 95 -15.949 -1.984 -1.567 1.00 0.50 H new ATOM 0 HG3 PRO A 95 -16.066 -0.240 -1.691 1.00 0.50 H new ATOM 0 HD2 PRO A 95 -15.767 -2.099 -3.856 1.00 0.48 H new ATOM 0 HD3 PRO A 95 -15.769 -0.350 -3.969 1.00 0.48 H new ATOM 1445 N GLY A 96 -11.548 -2.861 -1.419 1.00 0.62 N ATOM 1446 CA GLY A 96 -10.898 -4.140 -1.185 1.00 0.69 C ATOM 1447 C GLY A 96 -9.976 -4.508 -2.349 1.00 0.75 C ATOM 1448 O GLY A 96 -9.804 -5.686 -2.660 1.00 0.98 O ATOM 0 H GLY A 96 -11.198 -2.093 -0.846 1.00 0.62 H new ATOM 0 HA2 GLY A 96 -10.322 -4.096 -0.261 1.00 0.69 H new ATOM 0 HA3 GLY A 96 -11.652 -4.916 -1.054 1.00 0.69 H new ATOM 1452 N ILE A 97 -9.408 -3.479 -2.960 1.00 0.66 N ATOM 1453 CA ILE A 97 -8.556 -3.676 -4.120 1.00 0.71 C ATOM 1454 C ILE A 97 -7.187 -3.046 -3.855 1.00 0.69 C ATOM 1455 O ILE A 97 -7.102 -1.918 -3.372 1.00 0.72 O ATOM 1456 CB ILE A 97 -9.241 -3.149 -5.383 1.00 0.81 C ATOM 1457 CG1 ILE A 97 -10.409 -4.049 -5.791 1.00 1.13 C ATOM 1458 CG2 ILE A 97 -8.232 -2.969 -6.519 1.00 1.06 C ATOM 1459 CD1 ILE A 97 -9.915 -5.265 -6.578 1.00 1.00 C ATOM 0 H ILE A 97 -9.521 -2.507 -2.674 1.00 0.66 H new ATOM 0 HA ILE A 97 -8.390 -4.739 -4.295 1.00 0.71 H new ATOM 0 HB ILE A 97 -9.656 -2.166 -5.161 1.00 0.81 H new ATOM 0 HG12 ILE A 97 -10.945 -4.380 -4.902 1.00 1.13 H new ATOM 0 HG13 ILE A 97 -11.116 -3.482 -6.397 1.00 1.13 H new ATOM 0 HG21 ILE A 97 -8.744 -2.594 -7.405 1.00 1.06 H new ATOM 0 HG22 ILE A 97 -7.465 -2.257 -6.215 1.00 1.06 H new ATOM 0 HG23 ILE A 97 -7.767 -3.928 -6.748 1.00 1.06 H new ATOM 0 HD11 ILE A 97 -10.765 -5.888 -6.856 1.00 1.00 H new ATOM 0 HD12 ILE A 97 -9.400 -4.931 -7.479 1.00 1.00 H new ATOM 0 HD13 ILE A 97 -9.228 -5.843 -5.961 1.00 1.00 H new ATOM 1471 N LEU A 98 -6.150 -3.803 -4.181 1.00 0.70 N ATOM 1472 CA LEU A 98 -4.799 -3.428 -3.798 1.00 0.75 C ATOM 1473 C LEU A 98 -4.136 -2.679 -4.956 1.00 0.63 C ATOM 1474 O LEU A 98 -3.695 -3.293 -5.927 1.00 0.60 O ATOM 1475 CB LEU A 98 -4.015 -4.654 -3.330 1.00 0.89 C ATOM 1476 CG LEU A 98 -3.005 -4.416 -2.205 1.00 1.14 C ATOM 1477 CD1 LEU A 98 -2.106 -3.219 -2.521 1.00 1.63 C ATOM 1478 CD2 LEU A 98 -3.712 -4.262 -0.857 1.00 3.25 C ATOM 0 H LEU A 98 -6.218 -4.675 -4.706 1.00 0.70 H new ATOM 0 HA LEU A 98 -4.819 -2.748 -2.947 1.00 0.75 H new ATOM 0 HB2 LEU A 98 -4.726 -5.411 -2.999 1.00 0.89 H new ATOM 0 HB3 LEU A 98 -3.484 -5.069 -4.186 1.00 0.89 H new ATOM 0 HG LEU A 98 -2.361 -5.292 -2.132 1.00 1.14 H new ATOM 0 HD11 LEU A 98 -1.397 -3.071 -1.706 1.00 1.63 H new ATOM 0 HD12 LEU A 98 -1.561 -3.407 -3.446 1.00 1.63 H new ATOM 0 HD13 LEU A 98 -2.718 -2.325 -2.636 1.00 1.63 H new ATOM 0 HD21 LEU A 98 -2.972 -4.094 -0.075 1.00 3.25 H new ATOM 0 HD22 LEU A 98 -4.395 -3.413 -0.899 1.00 3.25 H new ATOM 0 HD23 LEU A 98 -4.274 -5.169 -0.635 1.00 3.25 H new ATOM 1490 N SER A 99 -4.085 -1.362 -4.815 1.00 0.73 N ATOM 1491 CA SER A 99 -3.563 -0.516 -5.875 1.00 0.71 C ATOM 1492 C SER A 99 -2.279 0.173 -5.410 1.00 0.75 C ATOM 1493 O SER A 99 -1.963 0.169 -4.221 1.00 0.83 O ATOM 1494 CB SER A 99 -4.598 0.525 -6.307 1.00 0.77 C ATOM 1495 OG SER A 99 -5.722 -0.073 -6.946 1.00 2.50 O ATOM 0 H SER A 99 -4.396 -0.861 -3.983 1.00 0.73 H new ATOM 0 HA SER A 99 -3.338 -1.145 -6.736 1.00 0.71 H new ATOM 0 HB2 SER A 99 -4.933 1.087 -5.435 1.00 0.77 H new ATOM 0 HB3 SER A 99 -4.132 1.239 -6.986 1.00 0.77 H new ATOM 0 HG SER A 99 -6.542 0.377 -6.653 1.00 2.50 H new ATOM 1501 N MET A 100 -1.573 0.750 -6.372 1.00 0.78 N ATOM 1502 CA MET A 100 -0.325 1.433 -6.077 1.00 0.86 C ATOM 1503 C MET A 100 -0.459 2.940 -6.303 1.00 0.95 C ATOM 1504 O MET A 100 -1.516 3.420 -6.710 1.00 1.55 O ATOM 1505 CB MET A 100 0.784 0.879 -6.973 1.00 0.96 C ATOM 1506 CG MET A 100 1.985 0.424 -6.143 1.00 1.58 C ATOM 1507 SD MET A 100 3.136 -0.473 -7.172 1.00 1.53 S ATOM 1508 CE MET A 100 4.659 -0.133 -6.304 1.00 1.30 C ATOM 0 H MET A 100 -1.842 0.758 -7.356 1.00 0.78 H new ATOM 0 HA MET A 100 -0.077 1.262 -5.029 1.00 0.86 H new ATOM 0 HB2 MET A 100 0.401 0.041 -7.555 1.00 0.96 H new ATOM 0 HB3 MET A 100 1.098 1.643 -7.684 1.00 0.96 H new ATOM 0 HG2 MET A 100 2.479 1.288 -5.699 1.00 1.58 H new ATOM 0 HG3 MET A 100 1.650 -0.209 -5.321 1.00 1.58 H new ATOM 0 HE1 MET A 100 5.487 -0.622 -6.817 1.00 1.30 H new ATOM 0 HE2 MET A 100 4.832 0.943 -6.280 1.00 1.30 H new ATOM 0 HE3 MET A 100 4.589 -0.512 -5.284 1.00 1.30 H new ATOM 1518 N ALA A 101 0.629 3.645 -6.027 1.00 0.62 N ATOM 1519 CA ALA A 101 0.697 5.065 -6.334 1.00 0.62 C ATOM 1520 C ALA A 101 2.085 5.396 -6.887 1.00 0.82 C ATOM 1521 O ALA A 101 3.090 4.880 -6.401 1.00 1.75 O ATOM 1522 CB ALA A 101 0.361 5.874 -5.080 1.00 0.81 C ATOM 0 H ALA A 101 1.469 3.261 -5.595 1.00 0.62 H new ATOM 0 HA ALA A 101 -0.034 5.329 -7.098 1.00 0.62 H new ATOM 0 HB1 ALA A 101 0.412 6.938 -5.309 1.00 0.81 H new ATOM 0 HB2 ALA A 101 -0.645 5.623 -4.744 1.00 0.81 H new ATOM 0 HB3 ALA A 101 1.076 5.638 -4.292 1.00 0.81 H new ATOM 1528 N ASN A 102 2.095 6.256 -7.895 1.00 0.85 N ATOM 1529 CA ASN A 102 3.332 6.595 -8.577 1.00 0.91 C ATOM 1530 C ASN A 102 3.257 8.041 -9.071 1.00 0.87 C ATOM 1531 O ASN A 102 2.190 8.514 -9.460 1.00 0.96 O ATOM 1532 CB ASN A 102 3.558 5.691 -9.790 1.00 1.08 C ATOM 1533 CG ASN A 102 2.689 4.435 -9.708 1.00 2.03 C ATOM 1534 OD1 ASN A 102 2.958 3.511 -8.958 1.00 3.50 O ATOM 1535 ND2 ASN A 102 1.633 4.452 -10.517 1.00 2.35 N ATOM 0 H ASN A 102 1.266 6.728 -8.256 1.00 0.85 H new ATOM 0 HA ASN A 102 4.153 6.463 -7.872 1.00 0.91 H new ATOM 0 HB2 ASN A 102 3.327 6.238 -10.704 1.00 1.08 H new ATOM 0 HB3 ASN A 102 4.609 5.407 -9.846 1.00 1.08 H new ATOM 0 HD21 ASN A 102 0.991 3.660 -10.534 1.00 2.35 H new ATOM 0 HD22 ASN A 102 1.465 5.257 -11.120 1.00 2.35 H new ATOM 1542 N ALA A 103 4.404 8.703 -9.041 1.00 0.91 N ATOM 1543 CA ALA A 103 4.482 10.085 -9.481 1.00 0.92 C ATOM 1544 C ALA A 103 4.982 10.130 -10.926 1.00 0.94 C ATOM 1545 O ALA A 103 5.429 11.172 -11.400 1.00 1.12 O ATOM 1546 CB ALA A 103 5.382 10.876 -8.528 1.00 1.03 C ATOM 0 H ALA A 103 5.287 8.308 -8.719 1.00 0.91 H new ATOM 0 HA ALA A 103 3.496 10.549 -9.459 1.00 0.92 H new ATOM 0 HB1 ALA A 103 5.440 11.913 -8.859 1.00 1.03 H new ATOM 0 HB2 ALA A 103 4.967 10.839 -7.521 1.00 1.03 H new ATOM 0 HB3 ALA A 103 6.381 10.440 -8.525 1.00 1.03 H new ATOM 1552 N GLY A 104 4.891 8.984 -11.585 1.00 1.03 N ATOM 1553 CA GLY A 104 5.323 8.880 -12.968 1.00 1.16 C ATOM 1554 C GLY A 104 5.763 7.452 -13.299 1.00 1.29 C ATOM 1555 O GLY A 104 5.737 6.575 -12.437 1.00 1.39 O ATOM 0 H GLY A 104 4.524 8.120 -11.186 1.00 1.03 H new ATOM 0 HA2 GLY A 104 4.509 9.176 -13.630 1.00 1.16 H new ATOM 0 HA3 GLY A 104 6.148 9.569 -13.148 1.00 1.16 H new ATOM 1559 N PRO A 105 6.166 7.258 -14.585 1.00 1.39 N ATOM 1560 CA PRO A 105 6.642 5.960 -15.031 1.00 1.59 C ATOM 1561 C PRO A 105 8.055 5.685 -14.509 1.00 1.52 C ATOM 1562 O PRO A 105 8.913 6.565 -14.538 1.00 1.37 O ATOM 1563 CB PRO A 105 6.570 6.015 -16.548 1.00 1.78 C ATOM 1564 CG PRO A 105 6.500 7.491 -16.908 1.00 1.68 C ATOM 1565 CD PRO A 105 6.179 8.266 -15.641 1.00 1.44 C ATOM 0 HA PRO A 105 6.041 5.136 -14.646 1.00 1.59 H new ATOM 0 HB2 PRO A 105 7.444 5.544 -16.998 1.00 1.78 H new ATOM 0 HB3 PRO A 105 5.695 5.481 -16.917 1.00 1.78 H new ATOM 0 HG2 PRO A 105 7.447 7.826 -17.330 1.00 1.68 H new ATOM 0 HG3 PRO A 105 5.735 7.663 -17.665 1.00 1.68 H new ATOM 0 HD2 PRO A 105 6.927 9.034 -15.446 1.00 1.44 H new ATOM 0 HD3 PRO A 105 5.216 8.771 -15.719 1.00 1.44 H new ATOM 1573 N ASN A 106 8.251 4.459 -14.044 1.00 1.74 N ATOM 1574 CA ASN A 106 9.552 4.048 -13.546 1.00 1.85 C ATOM 1575 C ASN A 106 9.946 4.937 -12.365 1.00 1.67 C ATOM 1576 O ASN A 106 11.131 5.131 -12.099 1.00 1.78 O ATOM 1577 CB ASN A 106 10.626 4.193 -14.627 1.00 1.95 C ATOM 1578 CG ASN A 106 11.688 3.100 -14.493 1.00 3.67 C ATOM 1579 OD1 ASN A 106 11.809 2.213 -15.323 1.00 4.26 O ATOM 1580 ND2 ASN A 106 12.448 3.213 -13.409 1.00 5.22 N ATOM 0 H ASN A 106 7.531 3.738 -14.002 1.00 1.74 H new ATOM 0 HA ASN A 106 9.483 3.003 -13.244 1.00 1.85 H new ATOM 0 HB2 ASN A 106 10.165 4.138 -15.613 1.00 1.95 H new ATOM 0 HB3 ASN A 106 11.096 5.173 -14.549 1.00 1.95 H new ATOM 0 HD21 ASN A 106 13.187 2.533 -13.231 1.00 5.22 H new ATOM 0 HD22 ASN A 106 12.293 3.980 -12.755 1.00 5.22 H new ATOM 1587 N THR A 107 8.930 5.454 -11.690 1.00 1.48 N ATOM 1588 CA THR A 107 9.154 6.262 -10.503 1.00 1.41 C ATOM 1589 C THR A 107 8.509 5.605 -9.281 1.00 1.46 C ATOM 1590 O THR A 107 8.608 6.123 -8.169 1.00 1.99 O ATOM 1591 CB THR A 107 8.629 7.671 -10.785 1.00 1.27 C ATOM 1592 OG1 THR A 107 9.743 8.349 -11.358 1.00 2.81 O ATOM 1593 CG2 THR A 107 8.334 8.453 -9.503 1.00 1.98 C ATOM 0 H THR A 107 7.950 5.329 -11.942 1.00 1.48 H new ATOM 0 HA THR A 107 10.216 6.336 -10.269 1.00 1.41 H new ATOM 0 HB THR A 107 7.723 7.607 -11.387 1.00 1.27 H new ATOM 0 HG1 THR A 107 9.490 9.271 -11.573 1.00 2.81 H new ATOM 0 HG21 THR A 107 7.964 9.446 -9.759 1.00 1.98 H new ATOM 0 HG22 THR A 107 7.580 7.924 -8.920 1.00 1.98 H new ATOM 0 HG23 THR A 107 9.247 8.547 -8.916 1.00 1.98 H new ATOM 1601 N ASN A 108 7.864 4.476 -9.528 1.00 1.24 N ATOM 1602 CA ASN A 108 7.154 3.773 -8.472 1.00 1.34 C ATOM 1603 C ASN A 108 8.164 3.040 -7.586 1.00 1.31 C ATOM 1604 O ASN A 108 9.190 2.565 -8.069 1.00 1.61 O ATOM 1605 CB ASN A 108 6.193 2.733 -9.052 1.00 1.60 C ATOM 1606 CG ASN A 108 6.853 1.949 -10.188 1.00 2.66 C ATOM 1607 OD1 ASN A 108 7.265 2.497 -11.197 1.00 3.75 O ATOM 1608 ND2 ASN A 108 6.929 0.640 -9.968 1.00 3.58 N ATOM 0 H ASN A 108 7.817 4.029 -10.444 1.00 1.24 H new ATOM 0 HA ASN A 108 6.588 4.507 -7.899 1.00 1.34 H new ATOM 0 HB2 ASN A 108 5.878 2.046 -8.267 1.00 1.60 H new ATOM 0 HB3 ASN A 108 5.295 3.228 -9.421 1.00 1.60 H new ATOM 0 HD21 ASN A 108 7.352 0.029 -10.667 1.00 3.58 H new ATOM 0 HD22 ASN A 108 6.564 0.247 -9.101 1.00 3.58 H new ATOM 1615 N GLY A 109 7.838 2.972 -6.304 1.00 1.33 N ATOM 1616 CA GLY A 109 8.692 2.287 -5.350 1.00 1.55 C ATOM 1617 C GLY A 109 7.868 1.397 -4.416 1.00 1.36 C ATOM 1618 O GLY A 109 7.888 0.173 -4.540 1.00 2.31 O ATOM 0 H GLY A 109 6.993 3.380 -5.904 1.00 1.33 H new ATOM 0 HA2 GLY A 109 9.425 1.681 -5.882 1.00 1.55 H new ATOM 0 HA3 GLY A 109 9.248 3.018 -4.764 1.00 1.55 H new ATOM 1622 N SER A 110 7.161 2.048 -3.502 1.00 1.38 N ATOM 1623 CA SER A 110 6.253 1.340 -2.616 1.00 1.61 C ATOM 1624 C SER A 110 5.001 2.184 -2.368 1.00 1.69 C ATOM 1625 O SER A 110 4.165 2.336 -3.256 1.00 2.85 O ATOM 1626 CB SER A 110 6.933 0.995 -1.289 1.00 2.16 C ATOM 1627 OG SER A 110 7.282 2.162 -0.551 1.00 3.47 O ATOM 0 H SER A 110 7.199 3.057 -3.357 1.00 1.38 H new ATOM 0 HA SER A 110 5.965 0.406 -3.098 1.00 1.61 H new ATOM 0 HB2 SER A 110 6.267 0.373 -0.691 1.00 2.16 H new ATOM 0 HB3 SER A 110 7.830 0.407 -1.483 1.00 2.16 H new ATOM 0 HG SER A 110 7.937 1.929 0.140 1.00 3.47 H new ATOM 1633 N GLN A 111 4.913 2.711 -1.155 1.00 1.82 N ATOM 1634 CA GLN A 111 3.802 3.576 -0.794 1.00 1.84 C ATOM 1635 C GLN A 111 2.501 2.774 -0.740 1.00 2.16 C ATOM 1636 O GLN A 111 1.955 2.542 0.337 1.00 4.21 O ATOM 1637 CB GLN A 111 3.684 4.750 -1.767 1.00 1.62 C ATOM 1638 CG GLN A 111 5.010 5.504 -1.881 1.00 2.27 C ATOM 1639 CD GLN A 111 5.128 6.574 -0.793 1.00 3.38 C ATOM 1640 OE1 GLN A 111 4.493 7.615 -0.838 1.00 4.33 O ATOM 1641 NE2 GLN A 111 5.973 6.260 0.185 1.00 4.14 N ATOM 0 H GLN A 111 5.592 2.556 -0.410 1.00 1.82 H new ATOM 0 HA GLN A 111 3.993 3.987 0.197 1.00 1.84 H new ATOM 0 HB2 GLN A 111 3.384 4.384 -2.749 1.00 1.62 H new ATOM 0 HB3 GLN A 111 2.903 5.430 -1.428 1.00 1.62 H new ATOM 0 HG2 GLN A 111 5.840 4.802 -1.797 1.00 2.27 H new ATOM 0 HG3 GLN A 111 5.084 5.970 -2.864 1.00 2.27 H new ATOM 0 HE21 GLN A 111 6.473 5.371 0.161 1.00 4.14 H new ATOM 0 HE22 GLN A 111 6.121 6.908 0.959 1.00 4.14 H new ATOM 1650 N PHE A 112 2.042 2.373 -1.916 1.00 1.12 N ATOM 1651 CA PHE A 112 0.777 1.666 -2.024 1.00 0.92 C ATOM 1652 C PHE A 112 -0.300 2.334 -1.166 1.00 0.94 C ATOM 1653 O PHE A 112 -0.020 3.294 -0.450 1.00 1.27 O ATOM 1654 CB PHE A 112 1.013 0.244 -1.509 1.00 1.11 C ATOM 1655 CG PHE A 112 1.788 0.181 -0.192 1.00 1.61 C ATOM 1656 CD1 PHE A 112 1.119 0.202 0.993 1.00 2.53 C ATOM 1657 CD2 PHE A 112 3.145 0.103 -0.204 1.00 2.79 C ATOM 1658 CE1 PHE A 112 1.838 0.142 2.215 1.00 2.97 C ATOM 1659 CE2 PHE A 112 3.865 0.044 1.018 1.00 3.35 C ATOM 1660 CZ PHE A 112 3.196 0.065 2.202 1.00 2.89 C ATOM 0 H PHE A 112 2.523 2.524 -2.803 1.00 1.12 H new ATOM 0 HA PHE A 112 0.435 1.672 -3.059 1.00 0.92 H new ATOM 0 HB2 PHE A 112 0.049 -0.248 -1.376 1.00 1.11 H new ATOM 0 HB3 PHE A 112 1.557 -0.320 -2.266 1.00 1.11 H new ATOM 0 HD1 PHE A 112 0.041 0.264 1.003 1.00 2.53 H new ATOM 0 HD2 PHE A 112 3.676 0.086 -1.144 1.00 2.79 H new ATOM 0 HE1 PHE A 112 1.307 0.157 3.155 1.00 2.97 H new ATOM 0 HE2 PHE A 112 4.943 -0.018 1.008 1.00 3.35 H new ATOM 0 HZ PHE A 112 3.743 0.021 3.132 1.00 2.89 H new ATOM 1670 N PHE A 113 -1.508 1.800 -1.266 1.00 0.98 N ATOM 1671 CA PHE A 113 -2.696 2.569 -0.938 1.00 0.95 C ATOM 1672 C PHE A 113 -3.967 1.789 -1.285 1.00 0.86 C ATOM 1673 O PHE A 113 -4.193 1.449 -2.445 1.00 1.36 O ATOM 1674 CB PHE A 113 -2.649 3.845 -1.780 1.00 1.13 C ATOM 1675 CG PHE A 113 -1.895 5.000 -1.119 1.00 2.26 C ATOM 1676 CD1 PHE A 113 -2.357 5.537 0.042 1.00 3.72 C ATOM 1677 CD2 PHE A 113 -0.762 5.488 -1.690 1.00 2.93 C ATOM 1678 CE1 PHE A 113 -1.657 6.609 0.656 1.00 5.22 C ATOM 1679 CE2 PHE A 113 -0.061 6.560 -1.076 1.00 4.50 C ATOM 1680 CZ PHE A 113 -0.524 7.098 0.084 1.00 5.45 C ATOM 0 H PHE A 113 -1.690 0.843 -1.570 1.00 0.98 H new ATOM 0 HA PHE A 113 -2.716 2.787 0.130 1.00 0.95 H new ATOM 0 HB2 PHE A 113 -2.179 3.619 -2.737 1.00 1.13 H new ATOM 0 HB3 PHE A 113 -3.669 4.165 -1.993 1.00 1.13 H new ATOM 0 HD1 PHE A 113 -3.256 5.148 0.497 1.00 3.72 H new ATOM 0 HD2 PHE A 113 -0.395 5.060 -2.611 1.00 2.93 H new ATOM 0 HE1 PHE A 113 -2.024 7.036 1.577 1.00 5.22 H new ATOM 0 HE2 PHE A 113 0.839 6.948 -1.530 1.00 4.50 H new ATOM 0 HZ PHE A 113 0.008 7.914 0.551 1.00 5.45 H new ATOM 1690 N ILE A 114 -4.762 1.529 -0.258 1.00 0.96 N ATOM 1691 CA ILE A 114 -5.924 0.669 -0.409 1.00 0.83 C ATOM 1692 C ILE A 114 -7.157 1.530 -0.690 1.00 0.82 C ATOM 1693 O ILE A 114 -7.687 2.175 0.214 1.00 1.26 O ATOM 1694 CB ILE A 114 -6.076 -0.245 0.808 1.00 0.85 C ATOM 1695 CG1 ILE A 114 -4.761 -0.962 1.122 1.00 0.95 C ATOM 1696 CG2 ILE A 114 -7.231 -1.228 0.614 1.00 0.88 C ATOM 1697 CD1 ILE A 114 -4.697 -1.371 2.595 1.00 1.11 C ATOM 0 H ILE A 114 -4.625 1.899 0.683 1.00 0.96 H new ATOM 0 HA ILE A 114 -5.798 0.004 -1.264 1.00 0.83 H new ATOM 0 HB ILE A 114 -6.321 0.374 1.671 1.00 0.85 H new ATOM 0 HG12 ILE A 114 -4.665 -1.846 0.491 1.00 0.95 H new ATOM 0 HG13 ILE A 114 -3.921 -0.309 0.886 1.00 0.95 H new ATOM 0 HG21 ILE A 114 -7.317 -1.866 1.493 1.00 0.88 H new ATOM 0 HG22 ILE A 114 -8.160 -0.675 0.474 1.00 0.88 H new ATOM 0 HG23 ILE A 114 -7.040 -1.845 -0.264 1.00 0.88 H new ATOM 0 HD11 ILE A 114 -3.752 -1.878 2.791 1.00 1.11 H new ATOM 0 HD12 ILE A 114 -4.769 -0.483 3.223 1.00 1.11 H new ATOM 0 HD13 ILE A 114 -5.524 -2.044 2.822 1.00 1.11 H new ATOM 1709 N CYS A 115 -7.578 1.513 -1.946 1.00 0.74 N ATOM 1710 CA CYS A 115 -8.784 2.221 -2.340 1.00 0.73 C ATOM 1711 C CYS A 115 -9.963 1.634 -1.562 1.00 0.72 C ATOM 1712 O CYS A 115 -10.294 0.460 -1.721 1.00 0.90 O ATOM 1713 CB CYS A 115 -9.009 2.156 -3.852 1.00 0.80 C ATOM 1714 SG CYS A 115 -9.073 0.412 -4.401 1.00 2.34 S ATOM 0 H CYS A 115 -7.106 1.020 -2.704 1.00 0.74 H new ATOM 0 HA CYS A 115 -8.682 3.279 -2.099 1.00 0.73 H new ATOM 0 HB2 CYS A 115 -9.939 2.662 -4.112 1.00 0.80 H new ATOM 0 HB3 CYS A 115 -8.206 2.680 -4.370 1.00 0.80 H new ATOM 0 HG CYS A 115 -9.646 -0.311 -3.485 1.00 2.34 H new ATOM 1720 N THR A 116 -10.566 2.478 -0.736 1.00 0.64 N ATOM 1721 CA THR A 116 -11.717 2.065 0.048 1.00 0.66 C ATOM 1722 C THR A 116 -13.014 2.410 -0.685 1.00 0.57 C ATOM 1723 O THR A 116 -14.091 2.390 -0.092 1.00 0.74 O ATOM 1724 CB THR A 116 -11.606 2.715 1.428 1.00 0.94 C ATOM 1725 OG1 THR A 116 -10.206 2.904 1.612 1.00 1.48 O ATOM 1726 CG2 THR A 116 -12.005 1.764 2.558 1.00 1.18 C ATOM 0 H THR A 116 -10.278 3.446 -0.593 1.00 0.64 H new ATOM 0 HA THR A 116 -11.736 0.984 0.183 1.00 0.66 H new ATOM 0 HB THR A 116 -12.237 3.603 1.462 1.00 0.94 H new ATOM 0 HG1 THR A 116 -10.026 3.120 2.551 1.00 1.48 H new ATOM 0 HG21 THR A 116 -11.908 2.276 3.516 1.00 1.18 H new ATOM 0 HG22 THR A 116 -13.039 1.447 2.419 1.00 1.18 H new ATOM 0 HG23 THR A 116 -11.353 0.891 2.546 1.00 1.18 H new ATOM 1734 N ALA A 117 -12.868 2.720 -1.965 1.00 0.55 N ATOM 1735 CA ALA A 117 -14.018 3.042 -2.793 1.00 0.56 C ATOM 1736 C ALA A 117 -13.630 2.919 -4.267 1.00 0.56 C ATOM 1737 O ALA A 117 -12.457 2.745 -4.592 1.00 0.58 O ATOM 1738 CB ALA A 117 -14.526 4.442 -2.438 1.00 0.77 C ATOM 0 H ALA A 117 -11.971 2.755 -2.449 1.00 0.55 H new ATOM 0 HA ALA A 117 -14.833 2.342 -2.608 1.00 0.56 H new ATOM 0 HB1 ALA A 117 -15.389 4.684 -3.059 1.00 0.77 H new ATOM 0 HB2 ALA A 117 -14.816 4.468 -1.388 1.00 0.77 H new ATOM 0 HB3 ALA A 117 -13.736 5.171 -2.615 1.00 0.77 H new ATOM 1744 N LYS A 118 -14.639 3.015 -5.122 1.00 0.75 N ATOM 1745 CA LYS A 118 -14.422 2.889 -6.552 1.00 0.89 C ATOM 1746 C LYS A 118 -13.634 4.102 -7.053 1.00 0.84 C ATOM 1747 O LYS A 118 -14.049 5.242 -6.852 1.00 0.96 O ATOM 1748 CB LYS A 118 -15.751 2.676 -7.280 1.00 1.22 C ATOM 1749 CG LYS A 118 -15.522 2.308 -8.746 1.00 1.54 C ATOM 1750 CD LYS A 118 -16.766 1.653 -9.349 1.00 1.91 C ATOM 1751 CE LYS A 118 -16.645 1.540 -10.870 1.00 2.58 C ATOM 1752 NZ LYS A 118 -15.486 0.696 -11.237 1.00 3.89 N ATOM 0 H LYS A 118 -15.609 3.179 -4.851 1.00 0.75 H new ATOM 0 HA LYS A 118 -13.821 2.006 -6.769 1.00 0.89 H new ATOM 0 HB2 LYS A 118 -16.317 1.885 -6.787 1.00 1.22 H new ATOM 0 HB3 LYS A 118 -16.352 3.583 -7.219 1.00 1.22 H new ATOM 0 HG2 LYS A 118 -15.267 3.203 -9.313 1.00 1.54 H new ATOM 0 HG3 LYS A 118 -14.674 1.628 -8.825 1.00 1.54 H new ATOM 0 HD2 LYS A 118 -16.905 0.662 -8.917 1.00 1.91 H new ATOM 0 HD3 LYS A 118 -17.649 2.238 -9.094 1.00 1.91 H new ATOM 0 HE2 LYS A 118 -17.559 1.112 -11.283 1.00 2.58 H new ATOM 0 HE3 LYS A 118 -16.532 2.532 -11.306 1.00 2.58 H new ATOM 0 HZ1 LYS A 118 -15.478 0.546 -12.266 1.00 3.89 H new ATOM 0 HZ2 LYS A 118 -14.606 1.170 -10.949 1.00 3.89 H new ATOM 0 HZ3 LYS A 118 -15.558 -0.222 -10.754 1.00 3.89 H new ATOM 1766 N THR A 119 -12.513 3.814 -7.698 1.00 0.93 N ATOM 1767 CA THR A 119 -11.662 4.866 -8.226 1.00 0.92 C ATOM 1768 C THR A 119 -11.388 4.634 -9.713 1.00 0.92 C ATOM 1769 O THR A 119 -10.497 3.865 -10.071 1.00 1.05 O ATOM 1770 CB THR A 119 -10.392 4.919 -7.375 1.00 0.98 C ATOM 1771 OG1 THR A 119 -10.110 3.552 -7.087 1.00 0.95 O ATOM 1772 CG2 THR A 119 -10.634 5.548 -6.001 1.00 1.00 C ATOM 0 H THR A 119 -12.175 2.867 -7.867 1.00 0.93 H new ATOM 0 HA THR A 119 -12.151 5.838 -8.166 1.00 0.92 H new ATOM 0 HB THR A 119 -9.624 5.485 -7.903 1.00 0.98 H new ATOM 0 HG1 THR A 119 -10.125 3.033 -7.918 1.00 0.95 H new ATOM 0 HG21 THR A 119 -9.701 5.561 -5.437 1.00 1.00 H new ATOM 0 HG22 THR A 119 -10.997 6.568 -6.127 1.00 1.00 H new ATOM 0 HG23 THR A 119 -11.377 4.963 -5.459 1.00 1.00 H new ATOM 1780 N GLU A 120 -12.170 5.314 -10.539 1.00 0.92 N ATOM 1781 CA GLU A 120 -12.174 5.034 -11.964 1.00 0.95 C ATOM 1782 C GLU A 120 -11.172 5.936 -12.687 1.00 0.98 C ATOM 1783 O GLU A 120 -10.795 5.664 -13.826 1.00 1.04 O ATOM 1784 CB GLU A 120 -13.579 5.195 -12.551 1.00 1.10 C ATOM 1785 CG GLU A 120 -13.878 4.095 -13.570 1.00 2.71 C ATOM 1786 CD GLU A 120 -14.229 2.781 -12.871 1.00 3.60 C ATOM 1787 OE1 GLU A 120 -13.866 2.656 -11.682 1.00 4.21 O ATOM 1788 OE2 GLU A 120 -14.854 1.929 -13.542 1.00 4.51 O ATOM 0 H GLU A 120 -12.805 6.058 -10.248 1.00 0.92 H new ATOM 0 HA GLU A 120 -11.871 3.997 -12.110 1.00 0.95 H new ATOM 0 HB2 GLU A 120 -14.317 5.163 -11.750 1.00 1.10 H new ATOM 0 HB3 GLU A 120 -13.668 6.171 -13.028 1.00 1.10 H new ATOM 0 HG2 GLU A 120 -14.705 4.403 -14.210 1.00 2.71 H new ATOM 0 HG3 GLU A 120 -13.012 3.948 -14.216 1.00 2.71 H new ATOM 1795 N TRP A 121 -10.768 6.991 -11.995 1.00 1.00 N ATOM 1796 CA TRP A 121 -9.909 7.998 -12.596 1.00 1.08 C ATOM 1797 C TRP A 121 -8.469 7.705 -12.170 1.00 0.90 C ATOM 1798 O TRP A 121 -7.552 8.444 -12.523 1.00 0.92 O ATOM 1799 CB TRP A 121 -10.370 9.407 -12.219 1.00 1.23 C ATOM 1800 CG TRP A 121 -10.193 9.745 -10.738 1.00 1.07 C ATOM 1801 CD1 TRP A 121 -9.174 10.391 -10.154 1.00 0.92 C ATOM 1802 CD2 TRP A 121 -11.107 9.425 -9.668 1.00 1.20 C ATOM 1803 NE1 TRP A 121 -9.363 10.511 -8.793 1.00 0.99 N ATOM 1804 CE2 TRP A 121 -10.577 9.904 -8.488 1.00 1.15 C ATOM 1805 CE3 TRP A 121 -12.341 8.752 -9.697 1.00 1.44 C ATOM 1806 CZ2 TRP A 121 -11.212 9.762 -7.248 1.00 1.34 C ATOM 1807 CZ3 TRP A 121 -12.964 8.619 -8.449 1.00 1.56 C ATOM 1808 CH2 TRP A 121 -12.442 9.096 -7.252 1.00 1.52 C ATOM 0 H TRP A 121 -11.020 7.171 -11.023 1.00 1.00 H new ATOM 0 HA TRP A 121 -9.966 7.955 -13.684 1.00 1.08 H new ATOM 0 HB2 TRP A 121 -9.815 10.131 -12.815 1.00 1.23 H new ATOM 0 HB3 TRP A 121 -11.422 9.517 -12.483 1.00 1.23 H new ATOM 0 HD1 TRP A 121 -8.312 10.770 -10.683 1.00 0.92 H new ATOM 0 HE1 TRP A 121 -8.730 10.961 -8.132 1.00 0.99 H new ATOM 0 HE3 TRP A 121 -12.774 8.368 -10.609 1.00 1.44 H new ATOM 0 HZ2 TRP A 121 -10.776 10.146 -6.338 1.00 1.34 H new ATOM 0 HZ3 TRP A 121 -13.916 8.110 -8.415 1.00 1.56 H new ATOM 0 HH2 TRP A 121 -12.984 8.953 -6.329 1.00 1.52 H new ATOM 1819 N LEU A 122 -8.316 6.624 -11.419 1.00 0.77 N ATOM 1820 CA LEU A 122 -6.998 6.199 -10.981 1.00 0.66 C ATOM 1821 C LEU A 122 -6.680 4.831 -11.587 1.00 0.76 C ATOM 1822 O LEU A 122 -5.622 4.262 -11.323 1.00 0.93 O ATOM 1823 CB LEU A 122 -6.905 6.231 -9.454 1.00 0.56 C ATOM 1824 CG LEU A 122 -7.308 7.547 -8.785 1.00 0.66 C ATOM 1825 CD1 LEU A 122 -7.335 7.402 -7.262 1.00 0.80 C ATOM 1826 CD2 LEU A 122 -6.400 8.692 -9.235 1.00 0.76 C ATOM 0 H LEU A 122 -9.083 6.030 -11.103 1.00 0.77 H new ATOM 0 HA LEU A 122 -6.236 6.892 -11.339 1.00 0.66 H new ATOM 0 HB2 LEU A 122 -7.534 5.436 -9.055 1.00 0.56 H new ATOM 0 HB3 LEU A 122 -5.879 6.000 -9.167 1.00 0.56 H new ATOM 0 HG LEU A 122 -8.321 7.795 -9.103 1.00 0.66 H new ATOM 0 HD11 LEU A 122 -7.624 8.351 -6.811 1.00 0.80 H new ATOM 0 HD12 LEU A 122 -8.055 6.633 -6.982 1.00 0.80 H new ATOM 0 HD13 LEU A 122 -6.345 7.118 -6.906 1.00 0.80 H new ATOM 0 HD21 LEU A 122 -6.708 9.615 -8.745 1.00 0.76 H new ATOM 0 HD22 LEU A 122 -5.368 8.465 -8.966 1.00 0.76 H new ATOM 0 HD23 LEU A 122 -6.475 8.813 -10.316 1.00 0.76 H new ATOM 1838 N ASP A 123 -7.615 4.343 -12.389 1.00 0.85 N ATOM 1839 CA ASP A 123 -7.541 2.979 -12.882 1.00 0.98 C ATOM 1840 C ASP A 123 -6.241 2.796 -13.669 1.00 1.49 C ATOM 1841 O ASP A 123 -5.431 1.930 -13.342 1.00 2.80 O ATOM 1842 CB ASP A 123 -8.710 2.666 -13.818 1.00 1.16 C ATOM 1843 CG ASP A 123 -8.779 1.218 -14.305 1.00 1.28 C ATOM 1844 OD1 ASP A 123 -8.023 0.899 -15.247 1.00 2.29 O ATOM 1845 OD2 ASP A 123 -9.587 0.462 -13.724 1.00 1.67 O ATOM 0 H ASP A 123 -8.428 4.869 -12.710 1.00 0.85 H new ATOM 0 HA ASP A 123 -7.578 2.308 -12.024 1.00 0.98 H new ATOM 0 HB2 ASP A 123 -9.641 2.905 -13.304 1.00 1.16 H new ATOM 0 HB3 ASP A 123 -8.647 3.323 -14.686 1.00 1.16 H new ATOM 1850 N GLY A 124 -6.085 3.623 -14.691 1.00 1.38 N ATOM 1851 CA GLY A 124 -4.993 3.450 -15.634 1.00 1.63 C ATOM 1852 C GLY A 124 -3.782 4.295 -15.232 1.00 1.66 C ATOM 1853 O GLY A 124 -3.397 5.216 -15.950 1.00 2.00 O ATOM 0 H GLY A 124 -6.697 4.415 -14.887 1.00 1.38 H new ATOM 0 HA2 GLY A 124 -4.709 2.399 -15.678 1.00 1.63 H new ATOM 0 HA3 GLY A 124 -5.323 3.733 -16.634 1.00 1.63 H new ATOM 1857 N LYS A 125 -3.216 3.952 -14.083 1.00 1.75 N ATOM 1858 CA LYS A 125 -2.095 4.704 -13.548 1.00 1.83 C ATOM 1859 C LYS A 125 -1.576 4.009 -12.287 1.00 1.67 C ATOM 1860 O LYS A 125 -0.376 3.778 -12.150 1.00 2.01 O ATOM 1861 CB LYS A 125 -2.486 6.166 -13.328 1.00 1.80 C ATOM 1862 CG LYS A 125 -1.598 7.101 -14.152 1.00 2.58 C ATOM 1863 CD LYS A 125 -0.192 7.189 -13.556 1.00 4.17 C ATOM 1864 CE LYS A 125 -0.193 8.009 -12.264 1.00 5.00 C ATOM 1865 NZ LYS A 125 1.174 8.476 -11.945 1.00 6.44 N ATOM 0 H LYS A 125 -3.514 3.163 -13.509 1.00 1.75 H new ATOM 0 HA LYS A 125 -1.273 4.723 -14.263 1.00 1.83 H new ATOM 0 HB2 LYS A 125 -3.530 6.313 -13.605 1.00 1.80 H new ATOM 0 HB3 LYS A 125 -2.399 6.414 -12.270 1.00 1.80 H new ATOM 0 HG2 LYS A 125 -1.539 6.741 -15.179 1.00 2.58 H new ATOM 0 HG3 LYS A 125 -2.045 8.095 -14.187 1.00 2.58 H new ATOM 0 HD2 LYS A 125 0.184 6.186 -13.354 1.00 4.17 H new ATOM 0 HD3 LYS A 125 0.485 7.644 -14.279 1.00 4.17 H new ATOM 0 HE2 LYS A 125 -0.860 8.864 -12.370 1.00 5.00 H new ATOM 0 HE3 LYS A 125 -0.578 7.404 -11.443 1.00 5.00 H new ATOM 0 HZ1 LYS A 125 1.410 8.216 -10.966 1.00 6.44 H new ATOM 0 HZ2 LYS A 125 1.853 8.031 -12.595 1.00 6.44 H new ATOM 0 HZ3 LYS A 125 1.221 9.510 -12.049 1.00 6.44 H new ATOM 1879 N HIS A 126 -2.507 3.697 -11.397 1.00 1.31 N ATOM 1880 CA HIS A 126 -2.149 3.311 -10.043 1.00 1.37 C ATOM 1881 C HIS A 126 -1.662 1.860 -10.035 1.00 1.71 C ATOM 1882 O HIS A 126 -0.953 1.445 -9.119 1.00 3.73 O ATOM 1883 CB HIS A 126 -3.315 3.551 -9.082 1.00 1.15 C ATOM 1884 CG HIS A 126 -3.417 4.973 -8.583 1.00 1.39 C ATOM 1885 ND1 HIS A 126 -2.816 6.039 -9.229 1.00 1.06 N ATOM 1886 CD2 HIS A 126 -4.055 5.492 -7.495 1.00 2.59 C ATOM 1887 CE1 HIS A 126 -3.088 7.144 -8.551 1.00 1.35 C ATOM 1888 NE2 HIS A 126 -3.855 6.803 -7.477 1.00 2.37 N ATOM 0 H HIS A 126 -3.509 3.704 -11.588 1.00 1.31 H new ATOM 0 HA HIS A 126 -1.329 3.935 -9.688 1.00 1.37 H new ATOM 0 HB2 HIS A 126 -4.246 3.285 -9.583 1.00 1.15 H new ATOM 0 HB3 HIS A 126 -3.211 2.883 -8.227 1.00 1.15 H new ATOM 0 HD1 HIS A 126 -2.259 5.983 -10.082 1.00 1.06 H new ATOM 0 HD2 HIS A 126 -4.626 4.930 -6.771 1.00 2.59 H new ATOM 0 HE1 HIS A 126 -2.759 8.141 -8.805 1.00 1.35 H new ATOM 1896 N VAL A 127 -2.063 1.129 -11.063 1.00 0.80 N ATOM 1897 CA VAL A 127 -1.643 -0.254 -11.209 1.00 0.62 C ATOM 1898 C VAL A 127 -2.216 -1.080 -10.056 1.00 0.59 C ATOM 1899 O VAL A 127 -2.111 -0.689 -8.895 1.00 0.82 O ATOM 1900 CB VAL A 127 -0.116 -0.330 -11.297 1.00 0.73 C ATOM 1901 CG1 VAL A 127 0.388 -1.713 -10.879 1.00 0.90 C ATOM 1902 CG2 VAL A 127 0.369 0.029 -12.703 1.00 0.82 C ATOM 0 H VAL A 127 -2.676 1.469 -11.805 1.00 0.80 H new ATOM 0 HA VAL A 127 -2.031 -0.676 -12.136 1.00 0.62 H new ATOM 0 HB VAL A 127 0.298 0.401 -10.603 1.00 0.73 H new ATOM 0 HG11 VAL A 127 1.475 -1.741 -10.950 1.00 0.90 H new ATOM 0 HG12 VAL A 127 0.086 -1.915 -9.851 1.00 0.90 H new ATOM 0 HG13 VAL A 127 -0.038 -2.470 -11.537 1.00 0.90 H new ATOM 0 HG21 VAL A 127 1.457 -0.032 -12.739 1.00 0.82 H new ATOM 0 HG22 VAL A 127 -0.058 -0.668 -13.424 1.00 0.82 H new ATOM 0 HG23 VAL A 127 0.054 1.043 -12.948 1.00 0.82 H new ATOM 1912 N VAL A 128 -2.811 -2.208 -10.418 1.00 0.45 N ATOM 1913 CA VAL A 128 -3.359 -3.116 -9.424 1.00 0.46 C ATOM 1914 C VAL A 128 -2.685 -4.482 -9.561 1.00 0.48 C ATOM 1915 O VAL A 128 -2.512 -4.985 -10.670 1.00 0.58 O ATOM 1916 CB VAL A 128 -4.881 -3.184 -9.562 1.00 0.50 C ATOM 1917 CG1 VAL A 128 -5.517 -3.807 -8.317 1.00 0.59 C ATOM 1918 CG2 VAL A 128 -5.469 -1.801 -9.843 1.00 0.54 C ATOM 0 H VAL A 128 -2.925 -2.513 -11.384 1.00 0.45 H new ATOM 0 HA VAL A 128 -3.153 -2.751 -8.418 1.00 0.46 H new ATOM 0 HB VAL A 128 -5.111 -3.825 -10.413 1.00 0.50 H new ATOM 0 HG11 VAL A 128 -6.599 -3.844 -8.441 1.00 0.59 H new ATOM 0 HG12 VAL A 128 -5.133 -4.818 -8.179 1.00 0.59 H new ATOM 0 HG13 VAL A 128 -5.272 -3.204 -7.443 1.00 0.59 H new ATOM 0 HG21 VAL A 128 -6.552 -1.878 -9.937 1.00 0.54 H new ATOM 0 HG22 VAL A 128 -5.223 -1.127 -9.022 1.00 0.54 H new ATOM 0 HG23 VAL A 128 -5.052 -1.410 -10.771 1.00 0.54 H new ATOM 1928 N PHE A 129 -2.321 -5.044 -8.417 1.00 0.62 N ATOM 1929 CA PHE A 129 -1.547 -6.273 -8.401 1.00 0.65 C ATOM 1930 C PHE A 129 -1.914 -7.137 -7.191 1.00 0.71 C ATOM 1931 O PHE A 129 -1.101 -7.930 -6.720 1.00 0.88 O ATOM 1932 CB PHE A 129 -0.074 -5.874 -8.299 1.00 0.78 C ATOM 1933 CG PHE A 129 0.267 -5.071 -7.041 1.00 1.47 C ATOM 1934 CD1 PHE A 129 -0.008 -3.740 -6.989 1.00 2.55 C ATOM 1935 CD2 PHE A 129 0.846 -5.688 -5.976 1.00 2.49 C ATOM 1936 CE1 PHE A 129 0.309 -2.995 -5.822 1.00 3.43 C ATOM 1937 CE2 PHE A 129 1.162 -4.943 -4.810 1.00 3.24 C ATOM 1938 CZ PHE A 129 0.887 -3.612 -4.757 1.00 3.39 C ATOM 0 H PHE A 129 -2.548 -4.671 -7.495 1.00 0.62 H new ATOM 0 HA PHE A 129 -1.750 -6.851 -9.302 1.00 0.65 H new ATOM 0 HB2 PHE A 129 0.538 -6.775 -8.319 1.00 0.78 H new ATOM 0 HB3 PHE A 129 0.194 -5.286 -9.177 1.00 0.78 H new ATOM 0 HD1 PHE A 129 -0.467 -3.250 -7.835 1.00 2.55 H new ATOM 0 HD2 PHE A 129 1.065 -6.745 -6.018 1.00 2.49 H new ATOM 0 HE1 PHE A 129 0.091 -1.938 -5.781 1.00 3.43 H new ATOM 0 HE2 PHE A 129 1.621 -5.433 -3.964 1.00 3.24 H new ATOM 0 HZ PHE A 129 1.128 -3.046 -3.870 1.00 3.39 H new ATOM 1948 N GLY A 130 -3.140 -6.952 -6.723 1.00 0.69 N ATOM 1949 CA GLY A 130 -3.646 -7.747 -5.618 1.00 0.83 C ATOM 1950 C GLY A 130 -4.988 -7.205 -5.122 1.00 0.66 C ATOM 1951 O GLY A 130 -5.508 -6.232 -5.667 1.00 0.66 O ATOM 0 H GLY A 130 -3.797 -6.263 -7.089 1.00 0.69 H new ATOM 0 HA2 GLY A 130 -3.763 -8.783 -5.935 1.00 0.83 H new ATOM 0 HA3 GLY A 130 -2.924 -7.743 -4.802 1.00 0.83 H new ATOM 1955 N LYS A 131 -5.511 -7.858 -4.094 1.00 0.60 N ATOM 1956 CA LYS A 131 -6.766 -7.433 -3.498 1.00 0.55 C ATOM 1957 C LYS A 131 -6.808 -7.881 -2.036 1.00 0.54 C ATOM 1958 O LYS A 131 -6.055 -8.765 -1.632 1.00 0.68 O ATOM 1959 CB LYS A 131 -7.950 -7.933 -4.328 1.00 0.72 C ATOM 1960 CG LYS A 131 -8.090 -9.453 -4.225 1.00 1.57 C ATOM 1961 CD LYS A 131 -9.114 -9.839 -3.156 1.00 2.10 C ATOM 1962 CE LYS A 131 -10.515 -9.362 -3.543 1.00 2.30 C ATOM 1963 NZ LYS A 131 -11.007 -8.360 -2.572 1.00 3.65 N ATOM 0 H LYS A 131 -5.088 -8.678 -3.659 1.00 0.60 H new ATOM 0 HA LYS A 131 -6.840 -6.346 -3.502 1.00 0.55 H new ATOM 0 HB2 LYS A 131 -8.867 -7.456 -3.983 1.00 0.72 H new ATOM 0 HB3 LYS A 131 -7.814 -7.647 -5.371 1.00 0.72 H new ATOM 0 HG2 LYS A 131 -8.395 -9.860 -5.189 1.00 1.57 H new ATOM 0 HG3 LYS A 131 -7.123 -9.895 -3.984 1.00 1.57 H new ATOM 0 HD2 LYS A 131 -9.118 -10.921 -3.024 1.00 2.10 H new ATOM 0 HD3 LYS A 131 -8.828 -9.402 -2.199 1.00 2.10 H new ATOM 0 HE2 LYS A 131 -10.495 -8.929 -4.543 1.00 2.30 H new ATOM 0 HE3 LYS A 131 -11.198 -10.211 -3.577 1.00 2.30 H new ATOM 0 HZ1 LYS A 131 -12.035 -8.247 -2.680 1.00 3.65 H new ATOM 0 HZ2 LYS A 131 -10.794 -8.679 -1.605 1.00 3.65 H new ATOM 0 HZ3 LYS A 131 -10.538 -7.448 -2.747 1.00 3.65 H new ATOM 1977 N VAL A 132 -7.696 -7.251 -1.282 1.00 0.48 N ATOM 1978 CA VAL A 132 -7.770 -7.490 0.149 1.00 0.43 C ATOM 1979 C VAL A 132 -8.742 -8.640 0.421 1.00 0.58 C ATOM 1980 O VAL A 132 -9.791 -8.733 -0.214 1.00 0.73 O ATOM 1981 CB VAL A 132 -8.151 -6.200 0.877 1.00 0.47 C ATOM 1982 CG1 VAL A 132 -8.044 -6.374 2.393 1.00 0.70 C ATOM 1983 CG2 VAL A 132 -7.292 -5.027 0.399 1.00 0.64 C ATOM 0 H VAL A 132 -8.372 -6.574 -1.636 1.00 0.48 H new ATOM 0 HA VAL A 132 -6.796 -7.790 0.536 1.00 0.43 H new ATOM 0 HB VAL A 132 -9.190 -5.975 0.638 1.00 0.47 H new ATOM 0 HG11 VAL A 132 -8.320 -5.442 2.887 1.00 0.70 H new ATOM 0 HG12 VAL A 132 -8.716 -7.169 2.716 1.00 0.70 H new ATOM 0 HG13 VAL A 132 -7.019 -6.635 2.658 1.00 0.70 H new ATOM 0 HG21 VAL A 132 -7.583 -4.122 0.932 1.00 0.64 H new ATOM 0 HG22 VAL A 132 -6.241 -5.242 0.595 1.00 0.64 H new ATOM 0 HG23 VAL A 132 -7.439 -4.881 -0.671 1.00 0.64 H new ATOM 1993 N LYS A 133 -8.359 -9.487 1.364 1.00 0.84 N ATOM 1994 CA LYS A 133 -9.177 -10.635 1.717 1.00 1.05 C ATOM 1995 C LYS A 133 -9.242 -10.761 3.241 1.00 1.18 C ATOM 1996 O LYS A 133 -8.325 -11.294 3.863 1.00 2.85 O ATOM 1997 CB LYS A 133 -8.662 -11.895 1.018 1.00 1.25 C ATOM 1998 CG LYS A 133 -9.611 -13.074 1.244 1.00 1.82 C ATOM 1999 CD LYS A 133 -8.978 -14.385 0.773 1.00 1.97 C ATOM 2000 CE LYS A 133 -8.066 -14.971 1.851 1.00 2.08 C ATOM 2001 NZ LYS A 133 -7.410 -16.204 1.360 1.00 3.11 N ATOM 0 H LYS A 133 -7.492 -9.402 1.895 1.00 0.84 H new ATOM 0 HA LYS A 133 -10.199 -10.497 1.364 1.00 1.05 H new ATOM 0 HB2 LYS A 133 -8.559 -11.706 -0.051 1.00 1.25 H new ATOM 0 HB3 LYS A 133 -7.670 -12.145 1.395 1.00 1.25 H new ATOM 0 HG2 LYS A 133 -9.861 -13.146 2.302 1.00 1.82 H new ATOM 0 HG3 LYS A 133 -10.544 -12.903 0.707 1.00 1.82 H new ATOM 0 HD2 LYS A 133 -9.760 -15.102 0.524 1.00 1.97 H new ATOM 0 HD3 LYS A 133 -8.405 -14.210 -0.138 1.00 1.97 H new ATOM 0 HE2 LYS A 133 -7.311 -14.238 2.135 1.00 2.08 H new ATOM 0 HE3 LYS A 133 -8.647 -15.193 2.746 1.00 2.08 H new ATOM 0 HZ1 LYS A 133 -7.276 -16.865 2.152 1.00 3.11 H new ATOM 0 HZ2 LYS A 133 -8.007 -16.650 0.635 1.00 3.11 H new ATOM 0 HZ3 LYS A 133 -6.485 -15.965 0.948 1.00 3.11 H new ATOM 2015 N GLU A 134 -10.335 -10.260 3.798 1.00 1.30 N ATOM 2016 CA GLU A 134 -10.542 -10.330 5.234 1.00 1.11 C ATOM 2017 C GLU A 134 -9.466 -9.526 5.966 1.00 0.96 C ATOM 2018 O GLU A 134 -8.341 -9.995 6.132 1.00 1.69 O ATOM 2019 CB GLU A 134 -10.563 -11.783 5.714 1.00 1.15 C ATOM 2020 CG GLU A 134 -11.636 -12.587 4.980 1.00 1.66 C ATOM 2021 CD GLU A 134 -11.393 -14.090 5.130 1.00 1.89 C ATOM 2022 OE1 GLU A 134 -10.502 -14.596 4.413 1.00 2.73 O ATOM 2023 OE2 GLU A 134 -12.102 -14.701 5.959 1.00 2.22 O ATOM 0 H GLU A 134 -11.086 -9.804 3.280 1.00 1.30 H new ATOM 0 HA GLU A 134 -11.513 -9.892 5.463 1.00 1.11 H new ATOM 0 HB2 GLU A 134 -9.586 -12.238 5.550 1.00 1.15 H new ATOM 0 HB3 GLU A 134 -10.752 -11.813 6.787 1.00 1.15 H new ATOM 0 HG2 GLU A 134 -12.620 -12.333 5.375 1.00 1.66 H new ATOM 0 HG3 GLU A 134 -11.637 -12.319 3.924 1.00 1.66 H new ATOM 2030 N GLY A 135 -9.848 -8.328 6.382 1.00 0.72 N ATOM 2031 CA GLY A 135 -8.891 -7.390 6.944 1.00 0.74 C ATOM 2032 C GLY A 135 -9.349 -5.945 6.733 1.00 0.71 C ATOM 2033 O GLY A 135 -8.930 -5.045 7.459 1.00 0.79 O ATOM 0 H GLY A 135 -10.808 -7.985 6.341 1.00 0.72 H new ATOM 0 HA2 GLY A 135 -8.769 -7.584 8.010 1.00 0.74 H new ATOM 0 HA3 GLY A 135 -7.916 -7.538 6.479 1.00 0.74 H new ATOM 2037 N MET A 136 -10.204 -5.770 5.736 1.00 0.80 N ATOM 2038 CA MET A 136 -10.748 -4.455 5.440 1.00 0.88 C ATOM 2039 C MET A 136 -11.254 -3.772 6.713 1.00 0.86 C ATOM 2040 O MET A 136 -11.146 -2.556 6.854 1.00 0.99 O ATOM 2041 CB MET A 136 -11.900 -4.593 4.443 1.00 1.04 C ATOM 2042 CG MET A 136 -11.374 -4.716 3.011 1.00 1.41 C ATOM 2043 SD MET A 136 -10.619 -3.179 2.504 1.00 2.67 S ATOM 2044 CE MET A 136 -12.081 -2.209 2.174 1.00 1.17 C ATOM 0 H MET A 136 -10.533 -6.516 5.123 1.00 0.80 H new ATOM 0 HA MET A 136 -9.955 -3.842 5.011 1.00 0.88 H new ATOM 0 HB2 MET A 136 -12.498 -5.470 4.691 1.00 1.04 H new ATOM 0 HB3 MET A 136 -12.558 -3.727 4.520 1.00 1.04 H new ATOM 0 HG2 MET A 136 -10.647 -5.526 2.950 1.00 1.41 H new ATOM 0 HG3 MET A 136 -12.191 -4.970 2.335 1.00 1.41 H new ATOM 0 HE1 MET A 136 -12.004 -1.760 1.184 1.00 1.17 H new ATOM 0 HE2 MET A 136 -12.961 -2.852 2.214 1.00 1.17 H new ATOM 0 HE3 MET A 136 -12.172 -1.422 2.923 1.00 1.17 H new ATOM 2054 N ASN A 137 -11.796 -4.586 7.607 1.00 0.76 N ATOM 2055 CA ASN A 137 -12.343 -4.073 8.852 1.00 0.80 C ATOM 2056 C ASN A 137 -11.223 -3.414 9.662 1.00 0.78 C ATOM 2057 O ASN A 137 -11.422 -2.356 10.256 1.00 0.84 O ATOM 2058 CB ASN A 137 -12.937 -5.200 9.699 1.00 0.85 C ATOM 2059 CG ASN A 137 -13.506 -4.658 11.012 1.00 1.94 C ATOM 2060 OD1 ASN A 137 -14.641 -4.219 11.092 1.00 3.18 O ATOM 2061 ND2 ASN A 137 -12.656 -4.712 12.033 1.00 2.90 N ATOM 0 H ASN A 137 -11.868 -5.597 7.494 1.00 0.76 H new ATOM 0 HA ASN A 137 -13.126 -3.356 8.606 1.00 0.80 H new ATOM 0 HB2 ASN A 137 -13.724 -5.705 9.139 1.00 0.85 H new ATOM 0 HB3 ASN A 137 -12.169 -5.944 9.911 1.00 0.85 H new ATOM 0 HD21 ASN A 137 -12.941 -4.373 12.952 1.00 2.90 H new ATOM 0 HD22 ASN A 137 -11.719 -5.092 11.897 1.00 2.90 H new ATOM 2068 N ILE A 138 -10.071 -4.068 9.659 1.00 0.75 N ATOM 2069 CA ILE A 138 -8.925 -3.569 10.401 1.00 0.80 C ATOM 2070 C ILE A 138 -8.397 -2.303 9.723 1.00 0.89 C ATOM 2071 O ILE A 138 -7.944 -1.377 10.394 1.00 0.99 O ATOM 2072 CB ILE A 138 -7.872 -4.666 10.562 1.00 0.77 C ATOM 2073 CG1 ILE A 138 -8.442 -5.866 11.320 1.00 0.82 C ATOM 2074 CG2 ILE A 138 -6.606 -4.118 11.226 1.00 0.90 C ATOM 2075 CD1 ILE A 138 -8.701 -5.518 12.786 1.00 1.49 C ATOM 0 H ILE A 138 -9.906 -4.939 9.155 1.00 0.75 H new ATOM 0 HA ILE A 138 -9.218 -3.291 11.413 1.00 0.80 H new ATOM 0 HB ILE A 138 -7.590 -5.016 9.569 1.00 0.77 H new ATOM 0 HG12 ILE A 138 -9.371 -6.189 10.850 1.00 0.82 H new ATOM 0 HG13 ILE A 138 -7.746 -6.703 11.259 1.00 0.82 H new ATOM 0 HG21 ILE A 138 -5.873 -4.918 11.329 1.00 0.90 H new ATOM 0 HG22 ILE A 138 -6.189 -3.321 10.611 1.00 0.90 H new ATOM 0 HG23 ILE A 138 -6.854 -3.724 12.212 1.00 0.90 H new ATOM 0 HD11 ILE A 138 -9.106 -6.389 13.301 1.00 1.49 H new ATOM 0 HD12 ILE A 138 -7.766 -5.219 13.260 1.00 1.49 H new ATOM 0 HD13 ILE A 138 -9.416 -4.697 12.844 1.00 1.49 H new ATOM 2087 N VAL A 139 -8.471 -2.303 8.400 1.00 0.87 N ATOM 2088 CA VAL A 139 -8.055 -1.146 7.626 1.00 0.97 C ATOM 2089 C VAL A 139 -9.016 0.014 7.894 1.00 1.04 C ATOM 2090 O VAL A 139 -8.597 1.168 7.975 1.00 1.11 O ATOM 2091 CB VAL A 139 -7.960 -1.513 6.144 1.00 0.98 C ATOM 2092 CG1 VAL A 139 -7.739 -0.267 5.284 1.00 1.13 C ATOM 2093 CG2 VAL A 139 -6.858 -2.547 5.905 1.00 0.94 C ATOM 0 H VAL A 139 -8.813 -3.087 7.844 1.00 0.87 H new ATOM 0 HA VAL A 139 -7.060 -0.821 7.931 1.00 0.97 H new ATOM 0 HB VAL A 139 -8.909 -1.960 5.848 1.00 0.98 H new ATOM 0 HG11 VAL A 139 -7.675 -0.556 4.235 1.00 1.13 H new ATOM 0 HG12 VAL A 139 -8.573 0.422 5.421 1.00 1.13 H new ATOM 0 HG13 VAL A 139 -6.812 0.222 5.583 1.00 1.13 H new ATOM 0 HG21 VAL A 139 -6.812 -2.791 4.844 1.00 0.94 H new ATOM 0 HG22 VAL A 139 -5.900 -2.138 6.226 1.00 0.94 H new ATOM 0 HG23 VAL A 139 -7.076 -3.450 6.475 1.00 0.94 H new ATOM 2103 N GLU A 140 -10.289 -0.332 8.025 1.00 1.05 N ATOM 2104 CA GLU A 140 -11.318 0.669 8.251 1.00 1.11 C ATOM 2105 C GLU A 140 -11.158 1.289 9.639 1.00 1.14 C ATOM 2106 O GLU A 140 -11.388 2.484 9.819 1.00 1.21 O ATOM 2107 CB GLU A 140 -12.714 0.068 8.075 1.00 1.12 C ATOM 2108 CG GLU A 140 -13.719 1.136 7.640 1.00 1.25 C ATOM 2109 CD GLU A 140 -13.589 1.436 6.145 1.00 2.52 C ATOM 2110 OE1 GLU A 140 -12.774 0.743 5.496 1.00 3.81 O ATOM 2111 OE2 GLU A 140 -14.306 2.350 5.684 1.00 3.38 O ATOM 0 H GLU A 140 -10.631 -1.292 7.979 1.00 1.05 H new ATOM 0 HA GLU A 140 -11.202 1.457 7.507 1.00 1.11 H new ATOM 0 HB2 GLU A 140 -12.680 -0.729 7.332 1.00 1.12 H new ATOM 0 HB3 GLU A 140 -13.040 -0.384 9.012 1.00 1.12 H new ATOM 0 HG2 GLU A 140 -14.732 0.798 7.860 1.00 1.25 H new ATOM 0 HG3 GLU A 140 -13.556 2.049 8.213 1.00 1.25 H new ATOM 2118 N ALA A 141 -10.765 0.450 10.587 1.00 1.11 N ATOM 2119 CA ALA A 141 -10.656 0.880 11.970 1.00 1.11 C ATOM 2120 C ALA A 141 -9.670 2.046 12.061 1.00 1.11 C ATOM 2121 O ALA A 141 -9.941 3.043 12.727 1.00 1.12 O ATOM 2122 CB ALA A 141 -10.241 -0.306 12.842 1.00 1.17 C ATOM 0 H ALA A 141 -10.518 -0.526 10.424 1.00 1.11 H new ATOM 0 HA ALA A 141 -11.619 1.234 12.339 1.00 1.11 H new ATOM 0 HB1 ALA A 141 -10.159 0.017 13.880 1.00 1.17 H new ATOM 0 HB2 ALA A 141 -10.990 -1.094 12.765 1.00 1.17 H new ATOM 0 HB3 ALA A 141 -9.278 -0.687 12.503 1.00 1.17 H new ATOM 2128 N MET A 142 -8.545 1.880 11.381 1.00 1.16 N ATOM 2129 CA MET A 142 -7.491 2.879 11.425 1.00 1.22 C ATOM 2130 C MET A 142 -7.762 4.006 10.425 1.00 1.06 C ATOM 2131 O MET A 142 -7.144 5.067 10.498 1.00 1.08 O ATOM 2132 CB MET A 142 -6.148 2.221 11.100 1.00 1.65 C ATOM 2133 CG MET A 142 -6.076 1.822 9.625 1.00 1.11 C ATOM 2134 SD MET A 142 -4.433 1.247 9.227 1.00 1.26 S ATOM 2135 CE MET A 142 -4.400 1.591 7.476 1.00 1.37 C ATOM 0 H MET A 142 -8.341 1.069 10.797 1.00 1.16 H new ATOM 0 HA MET A 142 -7.463 3.306 12.428 1.00 1.22 H new ATOM 0 HB2 MET A 142 -5.336 2.909 11.334 1.00 1.65 H new ATOM 0 HB3 MET A 142 -6.010 1.340 11.726 1.00 1.65 H new ATOM 0 HG2 MET A 142 -6.805 1.039 9.416 1.00 1.11 H new ATOM 0 HG3 MET A 142 -6.334 2.674 8.996 1.00 1.11 H new ATOM 0 HE1 MET A 142 -3.577 1.046 7.014 1.00 1.37 H new ATOM 0 HE2 MET A 142 -5.342 1.277 7.026 1.00 1.37 H new ATOM 0 HE3 MET A 142 -4.261 2.661 7.318 1.00 1.37 H new ATOM 2145 N GLU A 143 -8.687 3.737 9.516 1.00 1.05 N ATOM 2146 CA GLU A 143 -9.099 4.739 8.547 1.00 1.02 C ATOM 2147 C GLU A 143 -9.968 5.802 9.221 1.00 0.94 C ATOM 2148 O GLU A 143 -9.841 6.990 8.928 1.00 1.04 O ATOM 2149 CB GLU A 143 -9.833 4.095 7.370 1.00 1.18 C ATOM 2150 CG GLU A 143 -10.106 5.119 6.267 1.00 1.48 C ATOM 2151 CD GLU A 143 -10.787 4.463 5.065 1.00 1.50 C ATOM 2152 OE1 GLU A 143 -10.184 3.512 4.521 1.00 2.41 O ATOM 2153 OE2 GLU A 143 -11.895 4.926 4.718 1.00 1.92 O ATOM 0 H GLU A 143 -9.163 2.839 9.430 1.00 1.05 H new ATOM 0 HA GLU A 143 -8.206 5.224 8.153 1.00 1.02 H new ATOM 0 HB2 GLU A 143 -9.237 3.275 6.970 1.00 1.18 H new ATOM 0 HB3 GLU A 143 -10.774 3.667 7.714 1.00 1.18 H new ATOM 0 HG2 GLU A 143 -10.738 5.918 6.656 1.00 1.48 H new ATOM 0 HG3 GLU A 143 -9.169 5.578 5.952 1.00 1.48 H new ATOM 2160 N ARG A 144 -10.833 5.337 10.111 1.00 0.90 N ATOM 2161 CA ARG A 144 -11.802 6.216 10.744 1.00 0.99 C ATOM 2162 C ARG A 144 -11.127 7.053 11.832 1.00 0.93 C ATOM 2163 O ARG A 144 -11.756 7.926 12.428 1.00 1.01 O ATOM 2164 CB ARG A 144 -12.949 5.416 11.362 1.00 1.24 C ATOM 2165 CG ARG A 144 -14.298 6.079 11.076 1.00 2.14 C ATOM 2166 CD ARG A 144 -15.054 5.332 9.975 1.00 3.27 C ATOM 2167 NE ARG A 144 -14.356 5.497 8.680 1.00 4.82 N ATOM 2168 CZ ARG A 144 -14.511 4.677 7.633 1.00 6.06 C ATOM 2169 NH1 ARG A 144 -15.511 3.784 7.623 1.00 6.10 N ATOM 2170 NH2 ARG A 144 -13.666 4.748 6.595 1.00 7.86 N ATOM 0 H ARG A 144 -10.883 4.363 10.409 1.00 0.90 H new ATOM 0 HA ARG A 144 -12.207 6.873 9.975 1.00 0.99 H new ATOM 0 HB2 ARG A 144 -12.946 4.402 10.962 1.00 1.24 H new ATOM 0 HB3 ARG A 144 -12.801 5.334 12.439 1.00 1.24 H new ATOM 0 HG2 ARG A 144 -14.898 6.098 11.986 1.00 2.14 H new ATOM 0 HG3 ARG A 144 -14.142 7.115 10.776 1.00 2.14 H new ATOM 0 HD2 ARG A 144 -15.127 4.274 10.226 1.00 3.27 H new ATOM 0 HD3 ARG A 144 -16.073 5.712 9.900 1.00 3.27 H new ATOM 0 HE ARG A 144 -13.717 6.285 8.579 1.00 4.82 H new ATOM 0 HH11 ARG A 144 -16.154 3.729 8.413 1.00 6.10 H new ATOM 0 HH12 ARG A 144 -15.629 3.159 6.825 1.00 6.10 H new ATOM 0 HH21 ARG A 144 -12.905 5.427 6.603 1.00 7.86 H new ATOM 0 HH22 ARG A 144 -13.784 4.123 5.797 1.00 7.86 H new ATOM 2184 N PHE A 145 -9.856 6.759 12.059 1.00 0.93 N ATOM 2185 CA PHE A 145 -9.082 7.491 13.046 1.00 0.97 C ATOM 2186 C PHE A 145 -8.215 8.561 12.380 1.00 0.94 C ATOM 2187 O PHE A 145 -7.448 9.251 13.051 1.00 1.12 O ATOM 2188 CB PHE A 145 -8.173 6.477 13.744 1.00 1.09 C ATOM 2189 CG PHE A 145 -8.798 5.830 14.982 1.00 1.45 C ATOM 2190 CD1 PHE A 145 -10.014 5.229 14.894 1.00 2.23 C ATOM 2191 CD2 PHE A 145 -8.134 5.855 16.169 1.00 2.46 C ATOM 2192 CE1 PHE A 145 -10.593 4.628 16.043 1.00 2.63 C ATOM 2193 CE2 PHE A 145 -8.714 5.254 17.318 1.00 2.80 C ATOM 2194 CZ PHE A 145 -9.932 4.653 17.231 1.00 2.40 C ATOM 0 H PHE A 145 -9.342 6.023 11.575 1.00 0.93 H new ATOM 0 HA PHE A 145 -9.751 7.989 13.748 1.00 0.97 H new ATOM 0 HB2 PHE A 145 -7.906 5.695 13.034 1.00 1.09 H new ATOM 0 HB3 PHE A 145 -7.247 6.974 14.034 1.00 1.09 H new ATOM 0 HD1 PHE A 145 -10.540 5.209 13.951 1.00 2.23 H new ATOM 0 HD2 PHE A 145 -7.167 6.331 16.238 1.00 2.46 H new ATOM 0 HE1 PHE A 145 -11.559 4.151 15.973 1.00 2.63 H new ATOM 0 HE2 PHE A 145 -8.188 5.274 18.261 1.00 2.80 H new ATOM 0 HZ PHE A 145 -10.373 4.196 18.105 1.00 2.40 H new ATOM 2204 N GLY A 146 -8.366 8.668 11.068 1.00 0.90 N ATOM 2205 CA GLY A 146 -7.604 9.640 10.304 1.00 0.93 C ATOM 2206 C GLY A 146 -8.390 10.942 10.137 1.00 0.99 C ATOM 2207 O GLY A 146 -9.262 11.254 10.947 1.00 1.50 O ATOM 0 H GLY A 146 -9.005 8.097 10.515 1.00 0.90 H new ATOM 0 HA2 GLY A 146 -6.659 9.843 10.807 1.00 0.93 H new ATOM 0 HA3 GLY A 146 -7.362 9.229 9.324 1.00 0.93 H new ATOM 2211 N SER A 147 -8.053 11.668 9.080 1.00 0.98 N ATOM 2212 CA SER A 147 -8.705 12.937 8.805 1.00 1.23 C ATOM 2213 C SER A 147 -8.894 13.112 7.298 1.00 1.52 C ATOM 2214 O SER A 147 -9.988 12.899 6.777 1.00 2.43 O ATOM 2215 CB SER A 147 -7.899 14.105 9.378 1.00 2.18 C ATOM 2216 OG SER A 147 -6.620 14.225 8.762 1.00 4.08 O ATOM 0 H SER A 147 -7.337 11.401 8.404 1.00 0.98 H new ATOM 0 HA SER A 147 -9.682 12.932 9.289 1.00 1.23 H new ATOM 0 HB2 SER A 147 -8.456 15.032 9.240 1.00 2.18 H new ATOM 0 HB3 SER A 147 -7.772 13.966 10.452 1.00 2.18 H new ATOM 0 HG SER A 147 -6.544 15.103 8.333 1.00 4.08 H new ATOM 2222 N ARG A 148 -7.812 13.500 6.638 1.00 2.51 N ATOM 2223 CA ARG A 148 -7.785 13.508 5.185 1.00 3.32 C ATOM 2224 C ARG A 148 -6.389 13.885 4.683 1.00 3.57 C ATOM 2225 O ARG A 148 -5.777 13.139 3.920 1.00 4.27 O ATOM 2226 CB ARG A 148 -8.806 14.496 4.620 1.00 3.96 C ATOM 2227 CG ARG A 148 -8.768 15.821 5.384 1.00 3.71 C ATOM 2228 CD ARG A 148 -10.137 16.505 5.365 1.00 4.20 C ATOM 2229 NE ARG A 148 -10.082 17.769 6.134 1.00 4.72 N ATOM 2230 CZ ARG A 148 -9.385 18.849 5.754 1.00 5.97 C ATOM 2231 NH1 ARG A 148 -8.865 18.910 4.521 1.00 6.64 N ATOM 2232 NH2 ARG A 148 -9.208 19.865 6.609 1.00 7.07 N ATOM 0 H ARG A 148 -6.948 13.811 7.083 1.00 2.51 H new ATOM 0 HA ARG A 148 -8.040 12.505 4.843 1.00 3.32 H new ATOM 0 HB2 ARG A 148 -8.599 14.675 3.565 1.00 3.96 H new ATOM 0 HB3 ARG A 148 -9.806 14.066 4.681 1.00 3.96 H new ATOM 0 HG2 ARG A 148 -8.461 15.642 6.415 1.00 3.71 H new ATOM 0 HG3 ARG A 148 -8.022 16.480 4.939 1.00 3.71 H new ATOM 0 HD2 ARG A 148 -10.437 16.708 4.337 1.00 4.20 H new ATOM 0 HD3 ARG A 148 -10.890 15.842 5.792 1.00 4.20 H new ATOM 0 HE ARG A 148 -10.607 17.821 7.007 1.00 4.72 H new ATOM 0 HH11 ARG A 148 -9.000 18.135 3.872 1.00 6.64 H new ATOM 0 HH12 ARG A 148 -8.335 19.732 4.231 1.00 6.64 H new ATOM 0 HH21 ARG A 148 -9.603 19.816 7.548 1.00 7.07 H new ATOM 0 HH22 ARG A 148 -8.678 20.687 6.321 1.00 7.07 H new ATOM 2246 N ASN A 149 -5.925 15.042 5.133 1.00 3.36 N ATOM 2247 CA ASN A 149 -4.669 15.585 4.646 1.00 3.78 C ATOM 2248 C ASN A 149 -3.587 15.387 5.710 1.00 2.71 C ATOM 2249 O ASN A 149 -2.489 15.928 5.590 1.00 2.98 O ATOM 2250 CB ASN A 149 -4.790 17.084 4.366 1.00 4.77 C ATOM 2251 CG ASN A 149 -5.170 17.850 5.635 1.00 4.69 C ATOM 2252 OD1 ASN A 149 -6.330 17.976 5.991 1.00 5.10 O ATOM 2253 ND2 ASN A 149 -4.131 18.353 6.294 1.00 5.05 N ATOM 0 H ASN A 149 -6.397 15.618 5.830 1.00 3.36 H new ATOM 0 HA ASN A 149 -4.411 15.066 3.723 1.00 3.78 H new ATOM 0 HB2 ASN A 149 -3.844 17.463 3.978 1.00 4.77 H new ATOM 0 HB3 ASN A 149 -5.542 17.254 3.595 1.00 4.77 H new ATOM 0 HD21 ASN A 149 -4.280 18.882 7.154 1.00 5.05 H new ATOM 0 HD22 ASN A 149 -3.185 18.210 5.940 1.00 5.05 H new ATOM 2260 N GLY A 150 -3.935 14.611 6.725 1.00 2.06 N ATOM 2261 CA GLY A 150 -3.160 14.595 7.954 1.00 2.63 C ATOM 2262 C GLY A 150 -2.541 13.216 8.194 1.00 1.97 C ATOM 2263 O GLY A 150 -1.353 13.108 8.493 1.00 2.85 O ATOM 0 H GLY A 150 -4.743 13.989 6.722 1.00 2.06 H new ATOM 0 HA2 GLY A 150 -2.373 15.347 7.901 1.00 2.63 H new ATOM 0 HA3 GLY A 150 -3.800 14.862 8.795 1.00 2.63 H new ATOM 2267 N LYS A 151 -3.377 12.197 8.055 1.00 1.48 N ATOM 2268 CA LYS A 151 -2.978 10.848 8.422 1.00 2.05 C ATOM 2269 C LYS A 151 -3.227 10.635 9.916 1.00 1.80 C ATOM 2270 O LYS A 151 -2.763 11.417 10.744 1.00 2.55 O ATOM 2271 CB LYS A 151 -1.532 10.582 7.995 1.00 3.41 C ATOM 2272 CG LYS A 151 -0.588 10.635 9.197 1.00 3.20 C ATOM 2273 CD LYS A 151 0.868 10.776 8.745 1.00 4.18 C ATOM 2274 CE LYS A 151 1.629 11.753 9.643 1.00 3.81 C ATOM 2275 NZ LYS A 151 1.028 13.104 9.565 1.00 3.63 N ATOM 0 H LYS A 151 -4.328 12.278 7.694 1.00 1.48 H new ATOM 0 HA LYS A 151 -3.583 10.114 7.890 1.00 2.05 H new ATOM 0 HB2 LYS A 151 -1.464 9.605 7.517 1.00 3.41 H new ATOM 0 HB3 LYS A 151 -1.226 11.321 7.254 1.00 3.41 H new ATOM 0 HG2 LYS A 151 -0.856 11.475 9.838 1.00 3.20 H new ATOM 0 HG3 LYS A 151 -0.701 9.730 9.793 1.00 3.20 H new ATOM 0 HD2 LYS A 151 1.355 9.801 8.767 1.00 4.18 H new ATOM 0 HD3 LYS A 151 0.900 11.125 7.713 1.00 4.18 H new ATOM 0 HE2 LYS A 151 1.610 11.399 10.674 1.00 3.81 H new ATOM 0 HE3 LYS A 151 2.675 11.796 9.340 1.00 3.81 H new ATOM 0 HZ1 LYS A 151 1.703 13.759 9.123 1.00 3.63 H new ATOM 0 HZ2 LYS A 151 0.159 13.065 8.995 1.00 3.63 H new ATOM 0 HZ3 LYS A 151 0.799 13.438 10.523 1.00 3.63 H new ATOM 2289 N THR A 152 -3.960 9.573 10.216 1.00 1.79 N ATOM 2290 CA THR A 152 -4.166 9.171 11.597 1.00 1.65 C ATOM 2291 C THR A 152 -4.544 10.381 12.454 1.00 1.70 C ATOM 2292 O THR A 152 -4.877 11.440 11.925 1.00 2.55 O ATOM 2293 CB THR A 152 -2.899 8.460 12.076 1.00 1.90 C ATOM 2294 OG1 THR A 152 -1.928 9.501 12.165 1.00 2.77 O ATOM 2295 CG2 THR A 152 -2.327 7.507 11.022 1.00 1.93 C ATOM 0 H THR A 152 -4.419 8.978 9.526 1.00 1.79 H new ATOM 0 HA THR A 152 -5.000 8.475 11.686 1.00 1.65 H new ATOM 0 HB THR A 152 -3.118 7.904 12.988 1.00 1.90 H new ATOM 0 HG1 THR A 152 -2.356 10.364 11.985 1.00 2.77 H new ATOM 0 HG21 THR A 152 -1.429 7.029 11.413 1.00 1.93 H new ATOM 0 HG22 THR A 152 -3.068 6.745 10.780 1.00 1.93 H new ATOM 0 HG23 THR A 152 -2.076 8.068 10.122 1.00 1.93 H new ATOM 2303 N SER A 153 -4.479 10.182 13.762 1.00 1.71 N ATOM 2304 CA SER A 153 -4.594 11.291 14.694 1.00 2.09 C ATOM 2305 C SER A 153 -3.908 10.939 16.015 1.00 1.71 C ATOM 2306 O SER A 153 -4.219 11.518 17.054 1.00 2.24 O ATOM 2307 CB SER A 153 -6.060 11.656 14.938 1.00 2.81 C ATOM 2308 OG SER A 153 -6.809 10.550 15.437 1.00 3.24 O ATOM 0 H SER A 153 -4.348 9.270 14.199 1.00 1.71 H new ATOM 0 HA SER A 153 -4.100 12.158 14.256 1.00 2.09 H new ATOM 0 HB2 SER A 153 -6.115 12.481 15.648 1.00 2.81 H new ATOM 0 HB3 SER A 153 -6.506 12.006 14.007 1.00 2.81 H new ATOM 0 HG SER A 153 -7.107 9.992 14.688 1.00 3.24 H new ATOM 2314 N LYS A 154 -2.986 9.990 15.931 1.00 1.24 N ATOM 2315 CA LYS A 154 -2.327 9.480 17.121 1.00 1.11 C ATOM 2316 C LYS A 154 -0.963 8.904 16.736 1.00 1.22 C ATOM 2317 O LYS A 154 0.012 9.642 16.605 1.00 1.65 O ATOM 2318 CB LYS A 154 -3.232 8.484 17.850 1.00 1.16 C ATOM 2319 CG LYS A 154 -4.236 9.211 18.747 1.00 2.05 C ATOM 2320 CD LYS A 154 -4.818 8.263 19.797 1.00 2.24 C ATOM 2321 CE LYS A 154 -5.583 9.039 20.871 1.00 2.90 C ATOM 2322 NZ LYS A 154 -4.645 9.610 21.864 1.00 4.40 N ATOM 0 H LYS A 154 -2.680 9.562 15.057 1.00 1.24 H new ATOM 0 HA LYS A 154 -2.144 10.287 17.830 1.00 1.11 H new ATOM 0 HB2 LYS A 154 -3.765 7.872 17.123 1.00 1.16 H new ATOM 0 HB3 LYS A 154 -2.624 7.808 18.451 1.00 1.16 H new ATOM 0 HG2 LYS A 154 -3.747 10.051 19.241 1.00 2.05 H new ATOM 0 HG3 LYS A 154 -5.041 9.624 18.139 1.00 2.05 H new ATOM 0 HD2 LYS A 154 -5.485 7.547 19.316 1.00 2.24 H new ATOM 0 HD3 LYS A 154 -4.015 7.690 20.260 1.00 2.24 H new ATOM 0 HE2 LYS A 154 -6.162 9.838 20.408 1.00 2.90 H new ATOM 0 HE3 LYS A 154 -6.292 8.379 21.370 1.00 2.90 H new ATOM 0 HZ1 LYS A 154 -5.180 10.134 22.586 1.00 4.40 H new ATOM 0 HZ2 LYS A 154 -4.110 8.842 22.318 1.00 4.40 H new ATOM 0 HZ3 LYS A 154 -3.985 10.256 21.386 1.00 4.40 H new ATOM 2336 N LYS A 155 -0.938 7.590 16.566 1.00 1.03 N ATOM 2337 CA LYS A 155 0.305 6.897 16.274 1.00 1.19 C ATOM 2338 C LYS A 155 -0.009 5.497 15.743 1.00 1.13 C ATOM 2339 O LYS A 155 -0.074 4.537 16.509 1.00 1.43 O ATOM 2340 CB LYS A 155 1.219 6.896 17.501 1.00 1.40 C ATOM 2341 CG LYS A 155 2.578 6.274 17.173 1.00 2.39 C ATOM 2342 CD LYS A 155 3.586 6.536 18.294 1.00 2.71 C ATOM 2343 CE LYS A 155 3.204 5.776 19.564 1.00 4.09 C ATOM 2344 NZ LYS A 155 4.251 5.933 20.598 1.00 4.82 N ATOM 0 H LYS A 155 -1.759 6.987 16.625 1.00 1.03 H new ATOM 0 HA LYS A 155 0.857 7.420 15.493 1.00 1.19 H new ATOM 0 HB2 LYS A 155 1.359 7.917 17.855 1.00 1.40 H new ATOM 0 HB3 LYS A 155 0.746 6.340 18.310 1.00 1.40 H new ATOM 0 HG2 LYS A 155 2.464 5.200 17.025 1.00 2.39 H new ATOM 0 HG3 LYS A 155 2.954 6.687 16.237 1.00 2.39 H new ATOM 0 HD2 LYS A 155 4.582 6.233 17.970 1.00 2.71 H new ATOM 0 HD3 LYS A 155 3.631 7.604 18.505 1.00 2.71 H new ATOM 0 HE2 LYS A 155 2.252 6.146 19.944 1.00 4.09 H new ATOM 0 HE3 LYS A 155 3.067 4.719 19.335 1.00 4.09 H new ATOM 0 HZ1 LYS A 155 3.975 5.410 21.454 1.00 4.82 H new ATOM 0 HZ2 LYS A 155 5.152 5.558 20.239 1.00 4.82 H new ATOM 0 HZ3 LYS A 155 4.362 6.941 20.829 1.00 4.82 H new ATOM 2358 N ILE A 156 -0.197 5.425 14.433 1.00 0.96 N ATOM 2359 CA ILE A 156 -0.520 4.162 13.791 1.00 0.92 C ATOM 2360 C ILE A 156 0.682 3.687 12.974 1.00 0.89 C ATOM 2361 O ILE A 156 1.080 4.340 12.012 1.00 1.24 O ATOM 2362 CB ILE A 156 -1.808 4.290 12.974 1.00 1.20 C ATOM 2363 CG1 ILE A 156 -2.911 4.965 13.792 1.00 1.69 C ATOM 2364 CG2 ILE A 156 -2.249 2.932 12.428 1.00 1.69 C ATOM 2365 CD1 ILE A 156 -4.239 4.957 13.032 1.00 1.45 C ATOM 0 H ILE A 156 -0.132 6.221 13.799 1.00 0.96 H new ATOM 0 HA ILE A 156 -0.719 3.395 14.539 1.00 0.92 H new ATOM 0 HB ILE A 156 -1.605 4.931 12.116 1.00 1.20 H new ATOM 0 HG12 ILE A 156 -3.030 4.449 14.745 1.00 1.69 H new ATOM 0 HG13 ILE A 156 -2.624 5.992 14.019 1.00 1.69 H new ATOM 0 HG21 ILE A 156 -3.166 3.052 11.852 1.00 1.69 H new ATOM 0 HG22 ILE A 156 -1.467 2.527 11.786 1.00 1.69 H new ATOM 0 HG23 ILE A 156 -2.428 2.247 13.257 1.00 1.69 H new ATOM 0 HD11 ILE A 156 -5.006 5.443 13.635 1.00 1.45 H new ATOM 0 HD12 ILE A 156 -4.123 5.495 12.091 1.00 1.45 H new ATOM 0 HD13 ILE A 156 -4.535 3.928 12.828 1.00 1.45 H new ATOM 2377 N THR A 157 1.226 2.552 13.387 1.00 0.78 N ATOM 2378 CA THR A 157 2.411 2.012 12.742 1.00 0.96 C ATOM 2379 C THR A 157 2.228 0.521 12.452 1.00 0.80 C ATOM 2380 O THR A 157 1.320 -0.112 12.987 1.00 0.70 O ATOM 2381 CB THR A 157 3.616 2.313 13.637 1.00 1.33 C ATOM 2382 OG1 THR A 157 3.429 1.467 14.768 1.00 1.53 O ATOM 2383 CG2 THR A 157 3.573 3.728 14.218 1.00 1.46 C ATOM 0 H THR A 157 0.868 1.991 14.160 1.00 0.78 H new ATOM 0 HA THR A 157 2.582 2.481 11.773 1.00 0.96 H new ATOM 0 HB THR A 157 4.535 2.183 13.065 1.00 1.33 H new ATOM 0 HG1 THR A 157 4.167 1.597 15.399 1.00 1.53 H new ATOM 0 HG21 THR A 157 4.450 3.891 14.845 1.00 1.46 H new ATOM 0 HG22 THR A 157 3.568 4.455 13.406 1.00 1.46 H new ATOM 0 HG23 THR A 157 2.671 3.848 14.818 1.00 1.46 H new ATOM 2391 N ILE A 158 3.107 0.003 11.605 1.00 0.84 N ATOM 2392 CA ILE A 158 3.104 -1.417 11.300 1.00 0.74 C ATOM 2393 C ILE A 158 3.843 -2.173 12.407 1.00 0.73 C ATOM 2394 O ILE A 158 4.942 -1.786 12.801 1.00 0.81 O ATOM 2395 CB ILE A 158 3.673 -1.666 9.902 1.00 0.83 C ATOM 2396 CG1 ILE A 158 2.837 -0.954 8.836 1.00 1.06 C ATOM 2397 CG2 ILE A 158 3.803 -3.164 9.621 1.00 0.84 C ATOM 2398 CD1 ILE A 158 3.540 -0.985 7.478 1.00 1.43 C ATOM 0 H ILE A 158 3.825 0.542 11.121 1.00 0.84 H new ATOM 0 HA ILE A 158 2.084 -1.799 11.277 1.00 0.74 H new ATOM 0 HB ILE A 158 4.677 -1.243 9.861 1.00 0.83 H new ATOM 0 HG12 ILE A 158 1.861 -1.432 8.755 1.00 1.06 H new ATOM 0 HG13 ILE A 158 2.662 0.079 9.136 1.00 1.06 H new ATOM 0 HG21 ILE A 158 4.210 -3.313 8.621 1.00 0.84 H new ATOM 0 HG22 ILE A 158 4.471 -3.615 10.355 1.00 0.84 H new ATOM 0 HG23 ILE A 158 2.821 -3.633 9.687 1.00 0.84 H new ATOM 0 HD11 ILE A 158 2.925 -0.472 6.738 1.00 1.43 H new ATOM 0 HD12 ILE A 158 4.505 -0.485 7.557 1.00 1.43 H new ATOM 0 HD13 ILE A 158 3.691 -2.020 7.170 1.00 1.43 H new ATOM 2410 N ALA A 159 3.209 -3.237 12.878 1.00 0.77 N ATOM 2411 CA ALA A 159 3.756 -4.006 13.982 1.00 0.81 C ATOM 2412 C ALA A 159 4.785 -5.002 13.444 1.00 0.78 C ATOM 2413 O ALA A 159 5.902 -5.081 13.952 1.00 0.87 O ATOM 2414 CB ALA A 159 2.617 -4.695 14.738 1.00 0.85 C ATOM 0 H ALA A 159 2.321 -3.584 12.515 1.00 0.77 H new ATOM 0 HA ALA A 159 4.268 -3.353 14.688 1.00 0.81 H new ATOM 0 HB1 ALA A 159 3.027 -5.272 15.567 1.00 0.85 H new ATOM 0 HB2 ALA A 159 1.930 -3.943 15.125 1.00 0.85 H new ATOM 0 HB3 ALA A 159 2.082 -5.361 14.061 1.00 0.85 H new ATOM 2420 N ASP A 160 4.371 -5.737 12.423 1.00 0.71 N ATOM 2421 CA ASP A 160 5.223 -6.762 11.845 1.00 0.71 C ATOM 2422 C ASP A 160 4.769 -7.050 10.412 1.00 0.80 C ATOM 2423 O ASP A 160 3.702 -6.604 9.995 1.00 0.99 O ATOM 2424 CB ASP A 160 5.133 -8.066 12.640 1.00 0.76 C ATOM 2425 CG ASP A 160 3.721 -8.638 12.787 1.00 2.35 C ATOM 2426 OD1 ASP A 160 3.227 -9.194 11.782 1.00 3.80 O ATOM 2427 OD2 ASP A 160 3.169 -8.507 13.899 1.00 3.02 O ATOM 0 H ASP A 160 3.457 -5.643 11.981 1.00 0.71 H new ATOM 0 HA ASP A 160 6.250 -6.397 11.865 1.00 0.71 H new ATOM 0 HB2 ASP A 160 5.763 -8.813 12.157 1.00 0.76 H new ATOM 0 HB3 ASP A 160 5.546 -7.897 13.635 1.00 0.76 H new ATOM 2432 N CYS A 161 5.602 -7.794 9.700 1.00 0.82 N ATOM 2433 CA CYS A 161 5.312 -8.123 8.314 1.00 0.99 C ATOM 2434 C CYS A 161 5.661 -9.596 8.088 1.00 0.77 C ATOM 2435 O CYS A 161 6.216 -10.249 8.970 1.00 0.87 O ATOM 2436 CB CYS A 161 6.061 -7.205 7.346 1.00 1.50 C ATOM 2437 SG CYS A 161 5.786 -5.455 7.807 1.00 1.77 S ATOM 0 H CYS A 161 6.477 -8.178 10.056 1.00 0.82 H new ATOM 0 HA CYS A 161 4.252 -7.966 8.114 1.00 0.99 H new ATOM 0 HB2 CYS A 161 7.127 -7.432 7.367 1.00 1.50 H new ATOM 0 HB3 CYS A 161 5.718 -7.380 6.326 1.00 1.50 H new ATOM 0 HG CYS A 161 4.945 -4.914 6.976 1.00 1.77 H new ATOM 2443 N GLY A 162 5.320 -10.075 6.900 1.00 0.98 N ATOM 2444 CA GLY A 162 5.643 -11.441 6.525 1.00 1.05 C ATOM 2445 C GLY A 162 4.902 -11.848 5.249 1.00 0.92 C ATOM 2446 O GLY A 162 4.356 -10.999 4.547 1.00 1.52 O ATOM 0 H GLY A 162 4.824 -9.542 6.186 1.00 0.98 H new ATOM 0 HA2 GLY A 162 6.718 -11.536 6.372 1.00 1.05 H new ATOM 0 HA3 GLY A 162 5.376 -12.118 7.337 1.00 1.05 H new ATOM 2450 N GLN A 163 4.909 -13.147 4.987 1.00 0.88 N ATOM 2451 CA GLN A 163 4.199 -13.683 3.839 1.00 0.87 C ATOM 2452 C GLN A 163 3.464 -14.970 4.221 1.00 0.95 C ATOM 2453 O GLN A 163 4.061 -15.883 4.788 1.00 1.12 O ATOM 2454 CB GLN A 163 5.153 -13.924 2.668 1.00 1.17 C ATOM 2455 CG GLN A 163 4.380 -14.253 1.389 1.00 2.03 C ATOM 2456 CD GLN A 163 5.318 -14.787 0.304 1.00 2.24 C ATOM 2457 OE1 GLN A 163 6.529 -14.665 0.379 1.00 2.12 O ATOM 2458 NE2 GLN A 163 4.691 -15.386 -0.705 1.00 3.56 N ATOM 0 H GLN A 163 5.396 -13.844 5.551 1.00 0.88 H new ATOM 0 HA GLN A 163 3.461 -12.948 3.519 1.00 0.87 H new ATOM 0 HB2 GLN A 163 5.768 -13.039 2.508 1.00 1.17 H new ATOM 0 HB3 GLN A 163 5.830 -14.744 2.909 1.00 1.17 H new ATOM 0 HG2 GLN A 163 3.610 -14.993 1.605 1.00 2.03 H new ATOM 0 HG3 GLN A 163 3.871 -13.360 1.027 1.00 2.03 H new ATOM 0 HE21 GLN A 163 3.673 -15.454 -0.705 1.00 3.56 H new ATOM 0 HE22 GLN A 163 5.228 -15.778 -1.479 1.00 3.56 H new ATOM 2467 N LEU A 164 2.181 -14.998 3.896 1.00 1.12 N ATOM 2468 CA LEU A 164 1.370 -16.177 4.155 1.00 1.33 C ATOM 2469 C LEU A 164 1.424 -17.104 2.938 1.00 1.65 C ATOM 2470 O LEU A 164 0.399 -17.374 2.314 1.00 2.14 O ATOM 2471 CB LEU A 164 -0.050 -15.773 4.557 1.00 1.39 C ATOM 2472 CG LEU A 164 -0.161 -14.759 5.697 1.00 1.31 C ATOM 2473 CD1 LEU A 164 -1.566 -14.767 6.303 1.00 1.48 C ATOM 2474 CD2 LEU A 164 0.918 -15.002 6.754 1.00 1.68 C ATOM 0 H LEU A 164 1.682 -14.225 3.456 1.00 1.12 H new ATOM 0 HA LEU A 164 1.769 -16.736 5.001 1.00 1.33 H new ATOM 0 HB2 LEU A 164 -0.551 -15.361 3.681 1.00 1.39 H new ATOM 0 HB3 LEU A 164 -0.595 -16.672 4.843 1.00 1.39 H new ATOM 0 HG LEU A 164 0.008 -13.764 5.286 1.00 1.31 H new ATOM 0 HD11 LEU A 164 -1.618 -14.037 7.111 1.00 1.48 H new ATOM 0 HD12 LEU A 164 -2.295 -14.510 5.535 1.00 1.48 H new ATOM 0 HD13 LEU A 164 -1.787 -15.759 6.696 1.00 1.48 H new ATOM 0 HD21 LEU A 164 0.817 -14.268 7.553 1.00 1.68 H new ATOM 0 HD22 LEU A 164 0.804 -16.005 7.166 1.00 1.68 H new ATOM 0 HD23 LEU A 164 1.903 -14.907 6.297 1.00 1.68 H new ATOM 2486 N GLU A 165 2.630 -17.565 2.639 1.00 1.86 N ATOM 2487 CA GLU A 165 2.840 -18.408 1.475 1.00 2.26 C ATOM 2488 C GLU A 165 2.423 -19.848 1.780 1.00 2.51 C ATOM 2489 O GLU A 165 2.865 -20.431 2.768 1.00 2.90 O ATOM 2490 CB GLU A 165 4.296 -18.347 1.010 1.00 2.92 C ATOM 2491 CG GLU A 165 4.417 -18.727 -0.467 1.00 4.38 C ATOM 2492 CD GLU A 165 5.844 -18.507 -0.975 1.00 5.21 C ATOM 2493 OE1 GLU A 165 6.714 -19.318 -0.593 1.00 5.37 O ATOM 2494 OE2 GLU A 165 6.031 -17.532 -1.735 1.00 6.23 O ATOM 0 H GLU A 165 3.471 -17.371 3.183 1.00 1.86 H new ATOM 0 HA GLU A 165 2.217 -18.034 0.663 1.00 2.26 H new ATOM 0 HB2 GLU A 165 4.689 -17.342 1.164 1.00 2.92 H new ATOM 0 HB3 GLU A 165 4.903 -19.022 1.614 1.00 2.92 H new ATOM 0 HG2 GLU A 165 4.136 -19.772 -0.602 1.00 4.38 H new ATOM 0 HG3 GLU A 165 3.721 -18.131 -1.058 1.00 4.38 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -7.812 18.167 -4.414 1.00 1.14 N HETATM 2503 CA DAL B 201 -8.580 17.096 -5.029 1.00 1.04 C HETATM 2504 CB DAL B 201 -10.069 17.441 -4.977 1.00 1.07 C HETATM 2505 C DAL B 201 -8.261 15.777 -4.324 1.00 0.97 C HETATM 2506 O DAL B 201 -7.739 15.774 -3.210 1.00 1.02 O HETATM 0 HB3 DAL B 201 -10.379 17.560 -3.939 1.00 1.07 H new HETATM 0 HB2 DAL B 201 -10.246 18.371 -5.517 1.00 1.07 H new HETATM 0 HB1 DAL B 201 -10.645 16.638 -5.438 1.00 1.07 H new HETATM 0 HA DAL B 201 -8.309 16.982 -6.079 1.00 1.04 H new HETATM 0 H DAL B 201 -8.290 18.984 -4.034 1.00 1.14 H new HETATM 2512 N MLE B 202 -8.589 14.687 -5.002 1.00 0.92 N HETATM 2513 CN MLE B 202 -9.238 14.702 -6.692 1.00 0.96 C HETATM 2514 CA MLE B 202 -8.444 13.367 -4.412 1.00 0.93 C HETATM 2515 CB MLE B 202 -9.815 12.744 -4.148 1.00 1.00 C HETATM 2516 CG MLE B 202 -10.898 13.697 -3.636 1.00 1.38 C HETATM 2517 CD1 MLE B 202 -12.278 13.038 -3.688 1.00 2.60 C HETATM 2518 CD2 MLE B 202 -10.559 14.209 -2.234 1.00 1.07 C HETATM 2519 C MLE B 202 -7.541 12.511 -5.303 1.00 0.88 C HETATM 2520 O MLE B 202 -7.991 11.524 -5.884 1.00 0.88 O HETATM 0 HD23 MLE B 202 -10.482 13.366 -1.547 1.00 1.07 H new HETATM 0 HD22 MLE B 202 -9.609 14.742 -2.261 1.00 1.07 H new HETATM 0 HD21 MLE B 202 -11.344 14.884 -1.893 1.00 1.07 H new HETATM 0 HD13 MLE B 202 -12.512 12.764 -4.717 1.00 2.60 H new HETATM 0 HD12 MLE B 202 -12.278 12.143 -3.065 1.00 2.60 H new HETATM 0 HD11 MLE B 202 -13.029 13.737 -3.319 1.00 2.60 H new HETATM 0 HN3 MLE B 202 -8.569 14.141 -7.344 1.00 0.96 H new HETATM 0 HN2 MLE B 202 -10.227 14.244 -6.706 1.00 0.96 H new HETATM 0 HN1 MLE B 202 -9.310 15.731 -7.045 1.00 0.96 H new HETATM 0 HG MLE B 202 -10.931 14.564 -4.296 1.00 1.38 H new HETATM 0 HB3 MLE B 202 -10.168 12.287 -5.072 1.00 1.00 H new HETATM 0 HB2 MLE B 202 -9.693 11.940 -3.422 1.00 1.00 H new HETATM 0 HA MLE B 202 -7.959 13.437 -3.438 1.00 0.93 H new HETATM 2531 N MLE B 203 -6.284 12.921 -5.385 1.00 0.87 N HETATM 2532 CN MLE B 203 -5.651 14.412 -4.578 1.00 0.92 C HETATM 2533 CA MLE B 203 -5.302 12.173 -6.152 1.00 0.85 C HETATM 2534 CB MLE B 203 -4.569 13.096 -7.128 1.00 0.84 C HETATM 2535 CG MLE B 203 -5.449 14.048 -7.940 1.00 0.83 C HETATM 2536 CD1 MLE B 203 -4.627 14.786 -8.999 1.00 0.84 C HETATM 2537 CD2 MLE B 203 -6.639 13.306 -8.553 1.00 0.81 C HETATM 2538 C MLE B 203 -4.370 11.429 -5.193 1.00 0.90 C HETATM 2539 O MLE B 203 -4.208 11.832 -4.041 1.00 0.97 O HETATM 0 HD23 MLE B 203 -6.276 12.518 -9.213 1.00 0.81 H new HETATM 0 HD22 MLE B 203 -7.241 12.865 -7.759 1.00 0.81 H new HETATM 0 HD21 MLE B 203 -7.249 14.006 -9.125 1.00 0.81 H new HETATM 0 HD13 MLE B 203 -3.842 15.365 -8.512 1.00 0.84 H new HETATM 0 HD12 MLE B 203 -4.176 14.063 -9.678 1.00 0.84 H new HETATM 0 HD11 MLE B 203 -5.277 15.456 -9.562 1.00 0.84 H new HETATM 0 HN3 MLE B 203 -4.855 14.140 -3.885 1.00 0.92 H new HETATM 0 HN2 MLE B 203 -5.258 15.095 -5.332 1.00 0.92 H new HETATM 0 HN1 MLE B 203 -6.458 14.900 -4.031 1.00 0.92 H new HETATM 0 HG MLE B 203 -5.853 14.801 -7.263 1.00 0.83 H new HETATM 0 HB3 MLE B 203 -3.849 13.690 -6.565 1.00 0.84 H new HETATM 0 HB2 MLE B 203 -3.999 12.479 -7.822 1.00 0.84 H new HETATM 0 HA MLE B 203 -5.794 11.420 -6.768 1.00 0.85 H new HETATM 2550 N MVA B 204 -3.783 10.357 -5.701 1.00 0.89 N HETATM 2551 CN MVA B 204 -4.026 9.780 -7.400 1.00 0.89 C HETATM 2552 CA MVA B 204 -2.877 9.549 -4.903 1.00 0.93 C HETATM 2553 CB MVA B 204 -3.566 8.250 -4.482 1.00 1.02 C HETATM 2554 CG1 MVA B 204 -2.899 7.653 -3.241 1.00 1.28 C HETATM 2555 CG2 MVA B 204 -5.061 8.474 -4.247 1.00 1.01 C HETATM 2556 C MVA B 204 -1.584 9.314 -5.687 1.00 0.94 C HETATM 2557 O MVA B 204 -1.418 8.271 -6.317 1.00 0.96 O HETATM 0 HG23 MVA B 204 -5.199 9.214 -3.458 1.00 1.01 H new HETATM 0 HG22 MVA B 204 -5.524 8.833 -5.166 1.00 1.01 H new HETATM 0 HG21 MVA B 204 -5.527 7.535 -3.949 1.00 1.01 H new HETATM 0 HG13 MVA B 204 -1.852 7.439 -3.458 1.00 1.28 H new HETATM 0 HG12 MVA B 204 -2.961 8.364 -2.417 1.00 1.28 H new HETATM 0 HG11 MVA B 204 -3.408 6.730 -2.963 1.00 1.28 H new HETATM 0 HN3 MVA B 204 -3.070 9.775 -7.923 1.00 0.89 H new HETATM 0 HN2 MVA B 204 -4.438 8.771 -7.386 1.00 0.89 H new HETATM 0 HN1 MVA B 204 -4.717 10.447 -7.915 1.00 0.89 H new HETATM 0 HB MVA B 204 -3.459 7.534 -5.297 1.00 1.02 H new HETATM 0 HA MVA B 204 -2.609 10.071 -3.984 1.00 0.93 H new HETATM 2566 N BMT B 205 -0.795 10.417 -5.887 1.00 1.09 N HETATM 2567 CN BMT B 205 -1.042 11.857 -4.818 1.00 1.36 C HETATM 2568 CA BMT B 205 0.589 10.138 -6.231 1.00 1.01 C HETATM 2569 C BMT B 205 1.460 10.128 -4.973 1.00 1.14 C HETATM 2570 O BMT B 205 0.948 10.004 -3.861 1.00 1.31 O HETATM 2571 CB BMT B 205 1.035 11.170 -7.270 1.00 1.03 C HETATM 2572 OG1 BMT B 205 1.337 12.330 -6.500 1.00 1.10 O HETATM 2573 CG2 BMT B 205 -0.110 11.615 -8.182 1.00 0.95 C HETATM 2574 CD1 BMT B 205 -0.798 10.399 -8.805 1.00 1.18 C HETATM 2575 CD2 BMT B 205 0.237 12.660 -9.153 1.00 1.27 C HETATM 2576 CE BMT B 205 1.493 13.361 -8.955 1.00 0.99 C HETATM 2577 CZ BMT B 205 2.575 13.355 -9.625 1.00 1.41 C HETATM 2578 CH BMT B 205 3.894 14.040 -9.367 1.00 1.47 C HETATM 0 HD23 BMT B 205 0.256 12.207 -10.144 1.00 1.27 H new HETATM 0 HD22 BMT B 205 -0.565 13.398 -9.155 1.00 1.27 H new HETATM 0 HD13 BMT B 205 -0.075 9.834 -9.393 1.00 1.18 H new HETATM 0 HD12 BMT B 205 -1.200 9.764 -8.015 1.00 1.18 H new HETATM 0 HD11 BMT B 205 -1.610 10.732 -9.451 1.00 1.18 H new HETATM 0 HZ BMT B 205 2.543 12.756 -10.535 1.00 1.41 H new HETATM 0 HN3 BMT B 205 -0.511 11.708 -3.878 1.00 1.36 H new HETATM 0 HN2 BMT B 205 -0.658 12.748 -5.314 1.00 1.36 H new HETATM 0 HN1 BMT B 205 -2.106 11.983 -4.618 1.00 1.36 H new HETATM 0 HH3 BMT B 205 3.743 15.119 -9.330 1.00 1.47 H new HETATM 0 HH2 BMT B 205 4.301 13.698 -8.415 1.00 1.47 H new HETATM 0 HH1 BMT B 205 4.592 13.798 -10.168 1.00 1.47 H new HETATM 0 HG2 BMT B 205 -0.834 12.121 -7.543 1.00 0.95 H new HETATM 0 HG1 BMT B 205 0.702 13.043 -6.721 1.00 1.10 H new HETATM 0 HE BMT B 205 1.513 14.007 -8.077 1.00 0.99 H new HETATM 0 HB BMT B 205 1.839 10.751 -7.875 1.00 1.03 H new HETATM 0 HA BMT B 205 0.695 9.146 -6.670 1.00 1.01 H new HETATM 2593 N ABA B 206 2.760 10.258 -5.191 1.00 1.14 N HETATM 2594 CA ABA B 206 3.714 10.172 -4.099 1.00 1.35 C HETATM 2595 C ABA B 206 4.837 11.195 -4.289 1.00 1.35 C HETATM 2596 O ABA B 206 5.888 10.871 -4.839 1.00 1.43 O HETATM 2597 CB ABA B 206 4.215 8.729 -4.020 1.00 1.55 C HETATM 2598 CG ABA B 206 4.367 8.086 -5.401 1.00 1.26 C HETATM 0 HG3 ABA B 206 5.082 8.658 -5.992 1.00 1.26 H new HETATM 0 HG2 ABA B 206 3.402 8.079 -5.907 1.00 1.26 H new HETATM 0 HG1 ABA B 206 4.725 7.063 -5.288 1.00 1.26 H new HETATM 0 HB3 ABA B 206 3.521 8.139 -3.422 1.00 1.55 H new HETATM 0 HB2 ABA B 206 5.176 8.709 -3.505 1.00 1.55 H new HETATM 0 HA ABA B 206 3.247 10.422 -3.146 1.00 1.35 H new HETATM 0 H ABA B 206 2.901 10.938 -5.939 1.00 1.14 H new HETATM 2606 N SAR B 207 4.575 12.406 -3.824 1.00 1.29 N HETATM 2607 CA SAR B 207 5.558 13.516 -3.976 1.00 1.32 C HETATM 2608 C SAR B 207 5.114 14.973 -3.757 1.00 1.31 C HETATM 2609 O SAR B 207 5.717 15.836 -3.136 1.00 1.38 O HETATM 2610 CN SAR B 207 2.946 12.633 -2.991 1.00 1.25 C HETATM 0 HN3 SAR B 207 3.105 12.952 -1.961 1.00 1.25 H new HETATM 0 HN2 SAR B 207 2.369 13.391 -3.521 1.00 1.25 H new HETATM 0 HN1 SAR B 207 2.399 11.690 -2.998 1.00 1.25 H new HETATM 0 HA3 SAR B 207 6.378 13.320 -3.285 1.00 1.32 H new HETATM 0 HA2 SAR B 207 5.968 13.450 -4.984 1.00 1.32 H new HETATM 2613 N MLE B 208 3.954 15.294 -4.310 1.00 1.25 N HETATM 2614 CN MLE B 208 2.775 14.411 -5.362 1.00 1.27 C HETATM 2615 CA MLE B 208 3.579 16.658 -3.979 1.00 1.26 C HETATM 2616 CB MLE B 208 4.388 17.653 -4.813 1.00 1.29 C HETATM 2617 CG MLE B 208 4.561 17.304 -6.292 1.00 1.85 C HETATM 2618 CD1 MLE B 208 5.425 16.053 -6.464 1.00 3.56 C HETATM 2619 CD2 MLE B 208 3.204 17.164 -6.984 1.00 2.59 C HETATM 2620 C MLE B 208 2.065 16.817 -4.129 1.00 1.20 C HETATM 2621 O MLE B 208 1.598 17.585 -4.970 1.00 1.42 O HETATM 0 HD23 MLE B 208 2.630 16.372 -6.503 1.00 2.59 H new HETATM 0 HD22 MLE B 208 2.658 18.105 -6.908 1.00 2.59 H new HETATM 0 HD21 MLE B 208 3.355 16.916 -8.035 1.00 2.59 H new HETATM 0 HD13 MLE B 208 6.409 16.228 -6.029 1.00 3.56 H new HETATM 0 HD12 MLE B 208 4.950 15.211 -5.960 1.00 3.56 H new HETATM 0 HD11 MLE B 208 5.532 15.828 -7.525 1.00 3.56 H new HETATM 0 HN3 MLE B 208 1.809 14.356 -4.860 1.00 1.27 H new HETATM 0 HN2 MLE B 208 2.662 14.942 -6.307 1.00 1.27 H new HETATM 0 HN1 MLE B 208 3.142 13.403 -5.554 1.00 1.27 H new HETATM 0 HG MLE B 208 5.087 18.126 -6.778 1.00 1.85 H new HETATM 0 HB3 MLE B 208 3.908 18.629 -4.744 1.00 1.29 H new HETATM 0 HB2 MLE B 208 5.377 17.752 -4.365 1.00 1.29 H new HETATM 0 HA MLE B 208 3.821 16.878 -2.939 1.00 1.26 H new ATOM 2632 N VAL B 209 1.339 16.079 -3.304 1.00 1.15 N ATOM 2633 CA VAL B 209 -0.103 15.988 -3.451 1.00 1.06 C ATOM 2634 C VAL B 209 -0.691 17.397 -3.556 1.00 1.13 C ATOM 2635 O VAL B 209 -0.304 18.292 -2.806 1.00 1.31 O ATOM 2636 CB VAL B 209 -0.698 15.178 -2.298 1.00 1.16 C ATOM 2637 CG1 VAL B 209 -2.219 15.077 -2.426 1.00 1.09 C ATOM 2638 CG2 VAL B 209 -0.061 13.788 -2.219 1.00 1.25 C ATOM 0 H VAL B 209 1.723 15.537 -2.530 1.00 1.15 H new ATOM 0 HA VAL B 209 -0.359 15.459 -4.369 1.00 1.06 H new ATOM 0 HB VAL B 209 -0.474 15.703 -1.369 1.00 1.16 H new ATOM 0 HG11 VAL B 209 -2.616 14.496 -1.594 1.00 1.09 H new ATOM 0 HG12 VAL B 209 -2.653 16.077 -2.410 1.00 1.09 H new ATOM 0 HG13 VAL B 209 -2.473 14.586 -3.365 1.00 1.09 H new ATOM 0 HG21 VAL B 209 -0.501 13.232 -1.391 1.00 1.25 H new ATOM 0 HG22 VAL B 209 -0.240 13.252 -3.151 1.00 1.25 H new ATOM 0 HG23 VAL B 209 1.012 13.888 -2.058 1.00 1.25 H new HETATM 2648 N MLE B 210 -1.614 17.550 -4.493 1.00 1.06 N HETATM 2649 CN MLE B 210 -2.115 16.246 -5.644 1.00 0.92 C HETATM 2650 CA MLE B 210 -2.306 18.816 -4.662 1.00 1.22 C HETATM 2651 CB MLE B 210 -2.121 19.343 -6.087 1.00 1.33 C HETATM 2652 CG MLE B 210 -0.721 19.184 -6.684 1.00 1.39 C HETATM 2653 CD1 MLE B 210 -0.745 19.395 -8.199 1.00 1.56 C HETATM 2654 CD2 MLE B 210 0.279 20.112 -5.992 1.00 1.58 C HETATM 2655 C MLE B 210 -3.771 18.652 -4.253 1.00 1.18 C HETATM 2656 O MLE B 210 -4.158 17.609 -3.728 1.00 1.07 O HETATM 0 HD23 MLE B 210 -0.038 21.147 -6.117 1.00 1.58 H new HETATM 0 HD22 MLE B 210 0.323 19.872 -4.930 1.00 1.58 H new HETATM 0 HD21 MLE B 210 1.266 19.979 -6.435 1.00 1.58 H new HETATM 0 HD13 MLE B 210 -1.406 18.660 -8.658 1.00 1.56 H new HETATM 0 HD12 MLE B 210 -1.108 20.399 -8.421 1.00 1.56 H new HETATM 0 HD11 MLE B 210 0.262 19.277 -8.599 1.00 1.56 H new HETATM 0 HN3 MLE B 210 -3.178 16.040 -5.520 1.00 0.92 H new HETATM 0 HN2 MLE B 210 -1.926 16.571 -6.667 1.00 0.92 H new HETATM 0 HN1 MLE B 210 -1.543 15.341 -5.439 1.00 0.92 H new HETATM 0 HG MLE B 210 -0.387 18.162 -6.506 1.00 1.39 H new HETATM 0 HB3 MLE B 210 -2.832 18.833 -6.737 1.00 1.33 H new HETATM 0 HB2 MLE B 210 -2.381 20.401 -6.099 1.00 1.33 H new HETATM 0 HA MLE B 210 -1.875 19.574 -4.008 1.00 1.22 H new ATOM 2667 N ALA B 211 -4.546 19.696 -4.509 1.00 1.32 N ATOM 2668 CA ALA B 211 -5.956 19.683 -4.162 1.00 1.32 C ATOM 2669 C ALA B 211 -6.659 18.562 -4.930 1.00 1.14 C ATOM 2670 O ALA B 211 -6.152 18.092 -5.947 1.00 1.09 O ATOM 2671 CB ALA B 211 -6.565 21.058 -4.449 1.00 1.52 C ATOM 0 H ALA B 211 -4.224 20.556 -4.953 1.00 1.32 H new ATOM 0 HA ALA B 211 -6.086 19.483 -3.098 1.00 1.32 H new ATOM 0 HB1 ALA B 211 -7.623 21.049 -4.189 1.00 1.52 H new ATOM 0 HB2 ALA B 211 -6.052 21.814 -3.855 1.00 1.52 H new ATOM 0 HB3 ALA B 211 -6.454 21.291 -5.508 1.00 1.52 H new TER 2677 ALA B 211