USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 984 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 GLN : amide:sc= -0.787! C(o=-4.4!,f=-5.6!) USER MOD Set 1.2: A 115 GLN :FLIP amide:sc= -3.62! F(o=-5.6,f=-4.4!) USER MOD Set 2.1: A 81 ASN : amide:sc= -1.28! C(o=2.1!,f=-7.8!) USER MOD Set 2.2: A 99 LYS NZ :NH3+ -107:sc= 3.39 (180deg=0.472) USER MOD Set 3.1: A 51 THR OG1 : rot -34:sc= 1.83 USER MOD Set 3.2: A 76 LYS NZ :NH3+ -164:sc= 1.18 (180deg=-0.0463) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.096 (180deg=-0.604) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00211 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 10 THR OG1 : rot 55:sc= 0.36 USER MOD Single : A 14 GLN :FLIP amide:sc= -4.8! C(o=-9.9!,f=-4.8!) USER MOD Single : A 19 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-0.83) USER MOD Single : A 20 LYS NZ :NH3+ -131:sc= -0.56 (180deg=-2.57!) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.13 F(o=-1.4!,f=-0.13) USER MOD Single : A 26 ASN : amide:sc= 1.17 K(o=1.2,f=-0.27) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -4.93 F(o=-12!,f=-4.9) USER MOD Single : A 42 SER OG : rot -36:sc= 0.854 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.134 F(o=-1.3!,f=-0.13) USER MOD Single : A 44 ASN :FLIP amide:sc= -4.36! C(o=-6!,f=-4.4!) USER MOD Single : A 47 SER OG : rot -119:sc= -1.27 USER MOD Single : A 50 LYS NZ :NH3+ -112:sc= 0.966 (180deg=-0.0675!) USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= 1.03 (180deg=-0.359!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 168:sc= -6.26! (180deg=-6.75!) USER MOD Single : A 79 GLN : amide:sc= -0.344 K(o=-0.34,f=-3.2!) USER MOD Single : A 85 MET CE :methyl -173:sc= -1.39 (180deg=-1.72) USER MOD Single : A 86 THR OG1 : rot -85:sc= 0.296 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -111:sc= -0.426 USER MOD Single : A 90 HIS : no HE2:sc= -4.15! C(o=-4.1!,f=-6.7!) USER MOD Single : A 92 GLN : amide:sc= 0.0076 K(o=0.0076,f=-3.9!) USER MOD Single : A 95 LYS NZ :NH3+ 150:sc= -0.28 (180deg=-1.25!) USER MOD Single : A 98 THR OG1 : rot 180:sc=0.000873 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -105:sc= -0.909 USER MOD Single : A 112 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.2) USER MOD Single : A 113 SER OG : rot -51:sc= 0.323 USER MOD Single : A 116 LYS NZ :NH3+ -165:sc= -0.0251 (180deg=-0.22) USER MOD Single : A 119 GLN : amide:sc= 0.117 K(o=0.12,f=-0.61) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -33.404 3.344 1.503 1.00 13.16 N ATOM 2 CA MET A 1 -32.234 4.090 2.007 1.00 12.75 C ATOM 3 C MET A 1 -31.065 3.963 1.045 1.00 11.77 C ATOM 4 O MET A 1 -30.741 2.869 0.587 1.00 11.66 O ATOM 5 CB MET A 1 -31.830 3.573 3.392 1.00 13.22 C ATOM 6 CG MET A 1 -30.595 4.255 3.962 1.00 13.51 C ATOM 7 SD MET A 1 -30.142 3.630 5.592 1.00 14.33 S ATOM 8 CE MET A 1 -31.552 4.169 6.556 1.00 14.09 C ATOM 0 H1 MET A 1 -34.193 3.442 2.173 1.00 13.16 H new ATOM 0 H2 MET A 1 -33.686 3.725 0.577 1.00 13.16 H new ATOM 0 H3 MET A 1 -33.158 2.339 1.403 1.00 13.16 H new ATOM 0 HA MET A 1 -32.507 5.142 2.088 1.00 12.75 H new ATOM 0 HB2 MET A 1 -32.663 3.715 4.080 1.00 13.22 H new ATOM 0 HB3 MET A 1 -31.646 2.500 3.331 1.00 13.22 H new ATOM 0 HG2 MET A 1 -29.758 4.113 3.278 1.00 13.51 H new ATOM 0 HG3 MET A 1 -30.775 5.328 4.026 1.00 13.51 H new ATOM 0 HE1 MET A 1 -31.291 4.169 7.614 1.00 14.09 H new ATOM 0 HE2 MET A 1 -31.837 5.176 6.252 1.00 14.09 H new ATOM 0 HE3 MET A 1 -32.388 3.490 6.389 1.00 14.09 H new ATOM 20 N SER A 2 -30.440 5.089 0.736 1.00 11.22 N ATOM 21 CA SER A 2 -29.272 5.101 -0.129 1.00 10.40 C ATOM 22 C SER A 2 -28.100 4.410 0.569 1.00 9.51 C ATOM 23 O SER A 2 -27.989 4.456 1.794 1.00 9.43 O ATOM 24 CB SER A 2 -28.910 6.543 -0.478 1.00 10.47 C ATOM 25 OG SER A 2 -30.073 7.281 -0.828 1.00 10.65 O ATOM 0 H SER A 2 -30.724 6.009 1.073 1.00 11.22 H new ATOM 0 HA SER A 2 -29.495 4.560 -1.049 1.00 10.40 H new ATOM 0 HB2 SER A 2 -28.415 7.015 0.371 1.00 10.47 H new ATOM 0 HB3 SER A 2 -28.202 6.555 -1.307 1.00 10.47 H new ATOM 0 HG SER A 2 -29.822 8.203 -1.047 1.00 10.65 H new ATOM 31 N TYR A 3 -27.238 3.757 -0.201 1.00 9.03 N ATOM 32 CA TYR A 3 -26.105 3.039 0.372 1.00 8.37 C ATOM 33 C TYR A 3 -24.795 3.519 -0.247 1.00 7.38 C ATOM 34 O TYR A 3 -24.797 4.205 -1.269 1.00 7.50 O ATOM 35 CB TYR A 3 -26.264 1.524 0.160 1.00 9.00 C ATOM 36 CG TYR A 3 -26.231 1.094 -1.294 1.00 8.73 C ATOM 37 CD1 TYR A 3 -27.378 1.136 -2.073 1.00 8.58 C ATOM 38 CD2 TYR A 3 -25.053 0.646 -1.886 1.00 8.90 C ATOM 39 CE1 TYR A 3 -27.356 0.750 -3.398 1.00 8.64 C ATOM 40 CE2 TYR A 3 -25.022 0.259 -3.211 1.00 8.95 C ATOM 41 CZ TYR A 3 -26.176 0.308 -3.962 1.00 8.84 C ATOM 42 OH TYR A 3 -26.149 -0.076 -5.282 1.00 9.19 O ATOM 0 H TYR A 3 -27.301 3.709 -1.218 1.00 9.03 H new ATOM 0 HA TYR A 3 -26.080 3.243 1.442 1.00 8.37 H new ATOM 0 HB2 TYR A 3 -25.469 1.008 0.698 1.00 9.00 H new ATOM 0 HB3 TYR A 3 -27.208 1.204 0.601 1.00 9.00 H new ATOM 0 HD1 TYR A 3 -28.305 1.477 -1.635 1.00 8.58 H new ATOM 0 HD2 TYR A 3 -24.148 0.600 -1.299 1.00 8.90 H new ATOM 0 HE1 TYR A 3 -28.258 0.794 -3.991 1.00 8.64 H new ATOM 0 HE2 TYR A 3 -24.098 -0.080 -3.656 1.00 8.95 H new ATOM 0 HH TYR A 3 -25.242 -0.359 -5.522 1.00 9.19 H new ATOM 52 N ILE A 4 -23.687 3.158 0.380 1.00 6.65 N ATOM 53 CA ILE A 4 -22.368 3.470 -0.150 1.00 5.84 C ATOM 54 C ILE A 4 -21.828 2.272 -0.933 1.00 5.70 C ATOM 55 O ILE A 4 -21.580 1.209 -0.365 1.00 5.57 O ATOM 56 CB ILE A 4 -21.362 3.898 0.957 1.00 5.26 C ATOM 57 CG1 ILE A 4 -21.181 2.824 2.052 1.00 5.59 C ATOM 58 CG2 ILE A 4 -21.801 5.218 1.577 1.00 5.75 C ATOM 59 CD1 ILE A 4 -22.332 2.714 3.033 1.00 5.82 C ATOM 0 H ILE A 4 -23.675 2.646 1.262 1.00 6.65 H new ATOM 0 HA ILE A 4 -22.478 4.325 -0.817 1.00 5.84 H new ATOM 0 HB ILE A 4 -20.391 4.021 0.477 1.00 5.26 H new ATOM 0 HG12 ILE A 4 -21.038 1.856 1.571 1.00 5.59 H new ATOM 0 HG13 ILE A 4 -20.269 3.042 2.607 1.00 5.59 H new ATOM 0 HG21 ILE A 4 -21.091 5.510 2.351 1.00 5.75 H new ATOM 0 HG22 ILE A 4 -21.835 5.988 0.807 1.00 5.75 H new ATOM 0 HG23 ILE A 4 -22.791 5.101 2.018 1.00 5.75 H new ATOM 0 HD11 ILE A 4 -22.114 1.935 3.763 1.00 5.82 H new ATOM 0 HD12 ILE A 4 -22.464 3.666 3.547 1.00 5.82 H new ATOM 0 HD13 ILE A 4 -23.246 2.462 2.495 1.00 5.82 H new ATOM 71 N PRO A 5 -21.677 2.427 -2.258 1.00 6.16 N ATOM 72 CA PRO A 5 -21.286 1.332 -3.154 1.00 6.54 C ATOM 73 C PRO A 5 -19.940 0.697 -2.796 1.00 6.19 C ATOM 74 O PRO A 5 -19.876 -0.487 -2.463 1.00 6.51 O ATOM 75 CB PRO A 5 -21.227 1.986 -4.543 1.00 7.37 C ATOM 76 CG PRO A 5 -21.183 3.454 -4.290 1.00 7.46 C ATOM 77 CD PRO A 5 -21.899 3.683 -2.991 1.00 6.75 C ATOM 0 HA PRO A 5 -21.996 0.507 -3.089 1.00 6.54 H new ATOM 0 HB2 PRO A 5 -20.347 1.656 -5.095 1.00 7.37 H new ATOM 0 HB3 PRO A 5 -22.098 1.717 -5.141 1.00 7.37 H new ATOM 0 HG2 PRO A 5 -20.153 3.807 -4.233 1.00 7.46 H new ATOM 0 HG3 PRO A 5 -21.664 4.002 -5.100 1.00 7.46 H new ATOM 0 HD2 PRO A 5 -21.493 4.540 -2.453 1.00 6.75 H new ATOM 0 HD3 PRO A 5 -22.960 3.877 -3.145 1.00 6.75 H new ATOM 85 N GLY A 6 -18.867 1.474 -2.873 1.00 5.88 N ATOM 86 CA GLY A 6 -17.551 0.938 -2.587 1.00 5.89 C ATOM 87 C GLY A 6 -16.884 1.642 -1.429 1.00 5.07 C ATOM 88 O GLY A 6 -15.659 1.628 -1.319 1.00 5.32 O ATOM 0 H GLY A 6 -18.884 2.462 -3.127 1.00 5.88 H new ATOM 0 HA2 GLY A 6 -17.635 -0.125 -2.363 1.00 5.89 H new ATOM 0 HA3 GLY A 6 -16.924 1.028 -3.474 1.00 5.89 H new ATOM 92 N GLN A 7 -17.704 2.240 -0.562 1.00 4.35 N ATOM 93 CA GLN A 7 -17.222 3.015 0.586 1.00 3.71 C ATOM 94 C GLN A 7 -16.367 4.199 0.130 1.00 2.97 C ATOM 95 O GLN A 7 -15.165 4.070 -0.094 1.00 3.13 O ATOM 96 CB GLN A 7 -16.442 2.132 1.566 1.00 4.33 C ATOM 97 CG GLN A 7 -17.281 1.019 2.172 1.00 5.04 C ATOM 98 CD GLN A 7 -16.500 0.165 3.157 1.00 5.77 C ATOM 99 OE1 GLN A 7 -15.284 0.016 3.043 1.00 6.37 O ATOM 100 NE2 GLN A 7 -17.190 -0.416 4.121 1.00 6.03 N ATOM 0 H GLN A 7 -18.721 2.201 -0.635 1.00 4.35 H new ATOM 0 HA GLN A 7 -18.096 3.406 1.108 1.00 3.71 H new ATOM 0 HB2 GLN A 7 -15.589 1.694 1.049 1.00 4.33 H new ATOM 0 HB3 GLN A 7 -16.044 2.755 2.367 1.00 4.33 H new ATOM 0 HG2 GLN A 7 -18.143 1.454 2.678 1.00 5.04 H new ATOM 0 HG3 GLN A 7 -17.667 0.385 1.374 1.00 5.04 H new ATOM 0 HE21 GLN A 7 -18.198 -0.271 4.186 1.00 6.03 H new ATOM 0 HE22 GLN A 7 -16.716 -1.010 4.801 1.00 6.03 H new ATOM 109 N PRO A 8 -16.997 5.370 -0.040 1.00 2.60 N ATOM 110 CA PRO A 8 -16.336 6.577 -0.518 1.00 2.22 C ATOM 111 C PRO A 8 -15.719 7.381 0.620 1.00 1.55 C ATOM 112 O PRO A 8 -16.408 7.721 1.585 1.00 1.98 O ATOM 113 CB PRO A 8 -17.482 7.367 -1.174 1.00 2.90 C ATOM 114 CG PRO A 8 -18.744 6.617 -0.864 1.00 3.40 C ATOM 115 CD PRO A 8 -18.409 5.628 0.215 1.00 3.12 C ATOM 0 HA PRO A 8 -15.510 6.356 -1.193 1.00 2.22 H new ATOM 0 HB2 PRO A 8 -17.528 8.383 -0.782 1.00 2.90 H new ATOM 0 HB3 PRO A 8 -17.332 7.447 -2.251 1.00 2.90 H new ATOM 0 HG2 PRO A 8 -19.527 7.299 -0.533 1.00 3.40 H new ATOM 0 HG3 PRO A 8 -19.119 6.108 -1.752 1.00 3.40 H new ATOM 0 HD2 PRO A 8 -18.576 6.038 1.211 1.00 3.12 H new ATOM 0 HD3 PRO A 8 -19.010 4.722 0.139 1.00 3.12 H new ATOM 123 N VAL A 9 -14.421 7.669 0.500 1.00 1.36 N ATOM 124 CA VAL A 9 -13.674 8.425 1.514 1.00 1.13 C ATOM 125 C VAL A 9 -13.439 7.596 2.764 1.00 1.01 C ATOM 126 O VAL A 9 -12.298 7.394 3.180 1.00 1.07 O ATOM 127 CB VAL A 9 -14.381 9.742 1.903 1.00 1.61 C ATOM 128 CG1 VAL A 9 -13.697 10.395 3.096 1.00 2.08 C ATOM 129 CG2 VAL A 9 -14.420 10.697 0.719 1.00 2.26 C ATOM 0 H VAL A 9 -13.857 7.386 -0.301 1.00 1.36 H new ATOM 0 HA VAL A 9 -12.715 8.671 1.059 1.00 1.13 H new ATOM 0 HB VAL A 9 -15.406 9.505 2.189 1.00 1.61 H new ATOM 0 HG11 VAL A 9 -14.214 11.320 3.350 1.00 2.08 H new ATOM 0 HG12 VAL A 9 -13.727 9.717 3.949 1.00 2.08 H new ATOM 0 HG13 VAL A 9 -12.660 10.616 2.845 1.00 2.08 H new ATOM 0 HG21 VAL A 9 -14.922 11.619 1.012 1.00 2.26 H new ATOM 0 HG22 VAL A 9 -13.402 10.923 0.400 1.00 2.26 H new ATOM 0 HG23 VAL A 9 -14.964 10.234 -0.104 1.00 2.26 H new ATOM 139 N THR A 10 -14.515 7.118 3.366 1.00 1.00 N ATOM 140 CA THR A 10 -14.416 6.330 4.554 1.00 1.07 C ATOM 141 C THR A 10 -13.971 4.925 4.220 1.00 0.92 C ATOM 142 O THR A 10 -14.775 4.002 4.070 1.00 0.99 O ATOM 143 CB THR A 10 -15.752 6.312 5.293 1.00 1.30 C ATOM 144 OG1 THR A 10 -16.799 5.903 4.400 1.00 2.09 O ATOM 145 CG2 THR A 10 -16.058 7.687 5.851 1.00 1.90 C ATOM 0 H THR A 10 -15.469 7.271 3.038 1.00 1.00 H new ATOM 0 HA THR A 10 -13.668 6.779 5.208 1.00 1.07 H new ATOM 0 HB THR A 10 -15.689 5.603 6.118 1.00 1.30 H new ATOM 0 HG1 THR A 10 -16.568 5.039 3.999 1.00 2.09 H new ATOM 0 HG21 THR A 10 -17.013 7.662 6.376 1.00 1.90 H new ATOM 0 HG22 THR A 10 -15.270 7.982 6.544 1.00 1.90 H new ATOM 0 HG23 THR A 10 -16.111 8.407 5.035 1.00 1.90 H new ATOM 153 N ALA A 11 -12.679 4.806 4.067 1.00 0.83 N ATOM 154 CA ALA A 11 -12.041 3.546 3.803 1.00 0.74 C ATOM 155 C ALA A 11 -11.407 3.027 5.078 1.00 0.77 C ATOM 156 O ALA A 11 -11.237 3.769 6.050 1.00 0.96 O ATOM 157 CB ALA A 11 -11.007 3.720 2.704 1.00 0.70 C ATOM 0 H ALA A 11 -12.032 5.593 4.123 1.00 0.83 H new ATOM 0 HA ALA A 11 -12.777 2.817 3.464 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.524 2.764 2.505 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.496 4.075 1.797 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.258 4.446 3.021 1.00 0.70 H new ATOM 163 N VAL A 12 -11.052 1.766 5.074 1.00 0.65 N ATOM 164 CA VAL A 12 -10.512 1.129 6.263 1.00 0.72 C ATOM 165 C VAL A 12 -9.096 0.665 6.001 1.00 0.54 C ATOM 166 O VAL A 12 -8.799 0.136 4.931 1.00 0.54 O ATOM 167 CB VAL A 12 -11.385 -0.060 6.722 1.00 0.89 C ATOM 168 CG1 VAL A 12 -12.720 0.437 7.253 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.603 -1.044 5.584 1.00 1.38 C ATOM 0 H VAL A 12 -11.125 1.154 4.261 1.00 0.65 H new ATOM 0 HA VAL A 12 -10.511 1.866 7.066 1.00 0.72 H new ATOM 0 HB VAL A 12 -10.859 -0.578 7.524 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -13.324 -0.413 7.572 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -12.550 1.101 8.101 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -13.245 0.980 6.467 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -12.220 -1.872 5.932 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -12.105 -0.540 4.758 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -10.641 -1.427 5.245 1.00 1.38 H new ATOM 179 N VAL A 13 -8.200 0.884 6.947 1.00 0.52 N ATOM 180 CA VAL A 13 -6.824 0.509 6.722 1.00 0.44 C ATOM 181 C VAL A 13 -6.579 -0.936 7.142 1.00 0.41 C ATOM 182 O VAL A 13 -6.823 -1.342 8.281 1.00 0.50 O ATOM 183 CB VAL A 13 -5.798 1.471 7.378 1.00 0.61 C ATOM 184 CG1 VAL A 13 -6.171 2.923 7.141 1.00 0.90 C ATOM 185 CG2 VAL A 13 -5.634 1.212 8.851 1.00 1.02 C ATOM 0 H VAL A 13 -8.396 1.308 7.854 1.00 0.52 H new ATOM 0 HA VAL A 13 -6.659 0.595 5.648 1.00 0.44 H new ATOM 0 HB VAL A 13 -4.840 1.273 6.897 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.432 3.570 7.613 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -6.196 3.122 6.070 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -7.153 3.121 7.570 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -4.906 1.910 9.264 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -6.592 1.347 9.353 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -5.285 0.191 9.004 1.00 1.02 H new ATOM 195 N GLN A 14 -6.149 -1.708 6.170 1.00 0.37 N ATOM 196 CA GLN A 14 -5.833 -3.110 6.371 1.00 0.40 C ATOM 197 C GLN A 14 -4.334 -3.296 6.581 1.00 0.32 C ATOM 198 O GLN A 14 -3.546 -2.365 6.387 1.00 0.41 O ATOM 199 CB GLN A 14 -6.339 -3.935 5.184 1.00 0.51 C ATOM 200 CG GLN A 14 -5.644 -3.683 3.863 1.00 0.53 C ATOM 201 CD GLN A 14 -4.458 -4.596 3.648 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.275 -4.121 3.987 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.607 -5.714 3.167 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.007 -1.383 5.214 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.337 -3.464 7.270 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.237 -4.992 5.431 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.403 -3.738 5.056 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.356 -3.821 3.050 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.312 -2.646 3.823 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.540 -6.042 2.919 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -3.798 -6.316 3.015 1.00 0.55 H new ATOM 212 N ARG A 15 -3.935 -4.501 6.958 1.00 0.32 N ATOM 213 CA ARG A 15 -2.544 -4.779 7.269 1.00 0.39 C ATOM 214 C ARG A 15 -1.933 -5.783 6.305 1.00 0.33 C ATOM 215 O ARG A 15 -2.348 -6.939 6.250 1.00 0.55 O ATOM 216 CB ARG A 15 -2.415 -5.311 8.695 1.00 0.70 C ATOM 217 CG ARG A 15 -2.329 -4.227 9.747 1.00 0.75 C ATOM 218 CD ARG A 15 -1.077 -3.395 9.561 1.00 1.44 C ATOM 219 NE ARG A 15 -0.871 -2.483 10.683 1.00 2.26 N ATOM 220 CZ ARG A 15 0.272 -1.854 10.940 1.00 2.85 C ATOM 221 NH1 ARG A 15 1.303 -1.967 10.112 1.00 2.98 N ATOM 222 NH2 ARG A 15 0.385 -1.108 12.026 1.00 3.63 N ATOM 0 H ARG A 15 -4.558 -5.303 7.056 1.00 0.32 H new ATOM 0 HA ARG A 15 -2.002 -3.839 7.171 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.271 -5.949 8.913 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.526 -5.938 8.760 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -3.209 -3.586 9.688 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -2.328 -4.677 10.740 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.213 -4.052 9.461 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -1.152 -2.824 8.635 1.00 1.44 H new ATOM 0 HE ARG A 15 -1.657 -2.317 11.312 1.00 2.26 H new ATOM 0 HH11 ARG A 15 1.222 -2.539 9.272 1.00 2.98 H new ATOM 0 HH12 ARG A 15 2.177 -1.481 10.316 1.00 2.98 H new ATOM 0 HH21 ARG A 15 -0.404 -1.016 12.666 1.00 3.63 H new ATOM 0 HH22 ARG A 15 1.261 -0.625 12.224 1.00 3.63 H new ATOM 236 N VAL A 16 -0.936 -5.341 5.558 1.00 0.25 N ATOM 237 CA VAL A 16 -0.192 -6.228 4.700 1.00 0.30 C ATOM 238 C VAL A 16 1.162 -6.517 5.327 1.00 0.26 C ATOM 239 O VAL A 16 1.960 -5.613 5.568 1.00 0.40 O ATOM 240 CB VAL A 16 -0.035 -5.652 3.268 1.00 0.51 C ATOM 241 CG1 VAL A 16 1.156 -6.252 2.539 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.296 -5.912 2.467 1.00 0.64 C ATOM 0 H VAL A 16 -0.627 -4.369 5.533 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.749 -7.160 4.601 1.00 0.30 H new ATOM 0 HB VAL A 16 0.136 -4.580 3.365 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.227 -5.820 1.541 1.00 1.02 H new ATOM 0 HG12 VAL A 16 2.069 -6.036 3.094 1.00 1.02 H new ATOM 0 HG13 VAL A 16 1.027 -7.331 2.459 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.179 -5.505 1.463 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.473 -6.986 2.405 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.143 -5.432 2.957 1.00 0.64 H new ATOM 252 N GLU A 17 1.387 -7.777 5.623 1.00 0.22 N ATOM 253 CA GLU A 17 2.604 -8.220 6.272 1.00 0.25 C ATOM 254 C GLU A 17 3.153 -9.421 5.530 1.00 0.24 C ATOM 255 O GLU A 17 2.497 -10.463 5.464 1.00 0.28 O ATOM 256 CB GLU A 17 2.304 -8.577 7.732 1.00 0.33 C ATOM 257 CG GLU A 17 3.392 -9.384 8.419 1.00 0.44 C ATOM 258 CD GLU A 17 3.060 -9.684 9.871 1.00 0.75 C ATOM 259 OE1 GLU A 17 1.916 -9.403 10.291 1.00 1.35 O ATOM 260 OE2 GLU A 17 3.931 -10.225 10.588 1.00 1.31 O ATOM 0 H GLU A 17 0.728 -8.529 5.420 1.00 0.22 H new ATOM 0 HA GLU A 17 3.348 -7.424 6.256 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.143 -7.656 8.292 1.00 0.33 H new ATOM 0 HB3 GLU A 17 1.372 -9.140 7.771 1.00 0.33 H new ATOM 0 HG2 GLU A 17 3.540 -10.321 7.882 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.333 -8.836 8.370 1.00 0.44 H new ATOM 267 N ILE A 18 4.330 -9.283 4.939 1.00 0.24 N ATOM 268 CA ILE A 18 4.907 -10.379 4.219 1.00 0.24 C ATOM 269 C ILE A 18 6.405 -10.353 4.402 1.00 0.27 C ATOM 270 O ILE A 18 6.985 -9.300 4.668 1.00 0.33 O ATOM 271 CB ILE A 18 4.535 -10.331 2.717 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.747 -11.699 2.080 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.329 -9.266 1.969 1.00 0.27 C ATOM 274 CD1 ILE A 18 3.761 -12.735 2.561 1.00 0.61 C ATOM 0 H ILE A 18 4.889 -8.430 4.950 1.00 0.24 H new ATOM 0 HA ILE A 18 4.506 -11.312 4.616 1.00 0.24 H new ATOM 0 HB ILE A 18 3.481 -10.062 2.645 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.667 -11.605 0.997 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.759 -12.041 2.296 1.00 0.34 H new ATOM 0 HG21 ILE A 18 5.038 -9.266 0.919 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.124 -8.287 2.403 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.394 -9.482 2.050 1.00 0.27 H new ATOM 0 HD11 ILE A 18 3.965 -13.687 2.070 1.00 0.61 H new ATOM 0 HD12 ILE A 18 3.857 -12.855 3.640 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.748 -12.413 2.320 1.00 0.61 H new ATOM 286 N HIS A 19 7.025 -11.505 4.318 1.00 0.30 N ATOM 287 CA HIS A 19 8.463 -11.569 4.366 1.00 0.33 C ATOM 288 C HIS A 19 9.011 -11.210 2.994 1.00 0.35 C ATOM 289 O HIS A 19 8.709 -11.885 2.013 1.00 0.40 O ATOM 290 CB HIS A 19 8.935 -12.954 4.822 1.00 0.39 C ATOM 291 CG HIS A 19 8.884 -13.150 6.310 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.994 -13.472 7.056 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.850 -13.089 7.185 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.650 -13.597 8.323 1.00 0.60 C ATOM 295 NE2 HIS A 19 8.353 -13.375 8.433 1.00 0.56 N ATOM 0 H HIS A 19 6.558 -12.406 4.217 1.00 0.30 H new ATOM 0 HA HIS A 19 8.841 -10.855 5.097 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.318 -13.714 4.343 1.00 0.39 H new ATOM 0 HB3 HIS A 19 9.958 -13.111 4.479 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.822 -12.859 6.946 1.00 0.46 H new ATOM 0 HE1 HIS A 19 10.318 -13.841 9.136 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.814 -13.410 9.298 1.00 0.56 H new ATOM 304 N LYS A 20 9.715 -10.077 2.954 1.00 0.34 N ATOM 305 CA LYS A 20 10.385 -9.547 1.750 1.00 0.36 C ATOM 306 C LYS A 20 10.745 -10.638 0.721 1.00 0.36 C ATOM 307 O LYS A 20 11.220 -11.718 1.088 1.00 0.42 O ATOM 308 CB LYS A 20 11.658 -8.789 2.178 1.00 0.40 C ATOM 309 CG LYS A 20 12.922 -9.646 2.295 1.00 1.42 C ATOM 310 CD LYS A 20 12.812 -10.689 3.395 1.00 2.33 C ATOM 311 CE LYS A 20 13.993 -11.646 3.377 1.00 3.13 C ATOM 312 NZ LYS A 20 13.898 -12.669 4.452 1.00 4.00 N ATOM 0 H LYS A 20 9.842 -9.484 3.774 1.00 0.34 H new ATOM 0 HA LYS A 20 9.681 -8.878 1.255 1.00 0.36 H new ATOM 0 HB2 LYS A 20 11.845 -7.991 1.459 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.471 -8.313 3.141 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.111 -10.143 1.343 1.00 1.42 H new ATOM 0 HG3 LYS A 20 13.778 -9.001 2.493 1.00 1.42 H new ATOM 0 HD2 LYS A 20 12.759 -10.193 4.364 1.00 2.33 H new ATOM 0 HD3 LYS A 20 11.886 -11.251 3.274 1.00 2.33 H new ATOM 0 HE2 LYS A 20 14.043 -12.142 2.408 1.00 3.13 H new ATOM 0 HE3 LYS A 20 14.918 -11.082 3.494 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 14.801 -12.718 4.965 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 13.138 -12.409 5.112 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 13.688 -13.597 4.031 1.00 4.00 H new ATOM 326 N LEU A 21 10.557 -10.361 -0.571 1.00 0.33 N ATOM 327 CA LEU A 21 10.835 -11.387 -1.564 1.00 0.37 C ATOM 328 C LEU A 21 12.203 -11.149 -2.165 1.00 0.41 C ATOM 329 O LEU A 21 12.355 -10.404 -3.130 1.00 0.45 O ATOM 330 CB LEU A 21 9.760 -11.425 -2.651 1.00 0.38 C ATOM 331 CG LEU A 21 9.862 -12.609 -3.623 1.00 0.45 C ATOM 332 CD1 LEU A 21 9.743 -13.929 -2.873 1.00 0.55 C ATOM 333 CD2 LEU A 21 8.794 -12.514 -4.704 1.00 0.48 C ATOM 0 H LEU A 21 10.226 -9.469 -0.940 1.00 0.33 H new ATOM 0 HA LEU A 21 10.823 -12.359 -1.071 1.00 0.37 H new ATOM 0 HB2 LEU A 21 8.781 -11.451 -2.172 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.811 -10.499 -3.224 1.00 0.38 H new ATOM 0 HG LEU A 21 10.840 -12.571 -4.103 1.00 0.45 H new ATOM 0 HD11 LEU A 21 9.818 -14.756 -3.579 1.00 0.55 H new ATOM 0 HD12 LEU A 21 10.546 -14.004 -2.139 1.00 0.55 H new ATOM 0 HD13 LEU A 21 8.780 -13.972 -2.363 1.00 0.55 H new ATOM 0 HD21 LEU A 21 8.885 -13.363 -5.381 1.00 0.48 H new ATOM 0 HD22 LEU A 21 7.807 -12.523 -4.242 1.00 0.48 H new ATOM 0 HD23 LEU A 21 8.924 -11.588 -5.264 1.00 0.48 H new ATOM 345 N ARG A 22 13.205 -11.764 -1.571 1.00 0.51 N ATOM 346 CA ARG A 22 14.570 -11.498 -1.959 1.00 0.61 C ATOM 347 C ARG A 22 14.917 -12.188 -3.273 1.00 0.60 C ATOM 348 O ARG A 22 14.566 -13.345 -3.507 1.00 0.66 O ATOM 349 CB ARG A 22 15.552 -11.907 -0.860 1.00 0.88 C ATOM 350 CG ARG A 22 15.726 -13.405 -0.695 1.00 1.19 C ATOM 351 CD ARG A 22 16.868 -13.709 0.249 1.00 1.94 C ATOM 352 NE ARG A 22 17.210 -15.128 0.269 1.00 2.47 N ATOM 353 CZ ARG A 22 18.310 -15.620 0.839 1.00 3.28 C ATOM 354 NH1 ARG A 22 19.165 -14.807 1.451 1.00 3.78 N ATOM 355 NH2 ARG A 22 18.555 -16.922 0.797 1.00 3.97 N ATOM 0 H ARG A 22 13.098 -12.448 -0.822 1.00 0.51 H new ATOM 0 HA ARG A 22 14.660 -10.422 -2.108 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.524 -11.463 -1.076 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.213 -11.487 0.087 1.00 0.88 H new ATOM 0 HG2 ARG A 22 14.804 -13.843 -0.312 1.00 1.19 H new ATOM 0 HG3 ARG A 22 15.918 -13.863 -1.665 1.00 1.19 H new ATOM 0 HD2 ARG A 22 17.744 -13.131 -0.046 1.00 1.94 H new ATOM 0 HD3 ARG A 22 16.599 -13.389 1.256 1.00 1.94 H new ATOM 0 HE ARG A 22 16.569 -15.782 -0.180 1.00 2.47 H new ATOM 0 HH11 ARG A 22 18.980 -13.804 1.485 1.00 3.78 H new ATOM 0 HH12 ARG A 22 20.006 -15.186 1.887 1.00 3.78 H new ATOM 0 HH21 ARG A 22 17.901 -17.549 0.328 1.00 3.97 H new ATOM 0 HH22 ARG A 22 19.397 -17.297 1.234 1.00 3.97 H new ATOM 369 N GLN A 23 15.588 -11.447 -4.132 1.00 0.68 N ATOM 370 CA GLN A 23 16.060 -11.967 -5.397 1.00 0.81 C ATOM 371 C GLN A 23 17.570 -11.855 -5.427 1.00 0.93 C ATOM 372 O GLN A 23 18.093 -10.800 -5.763 1.00 1.02 O ATOM 373 CB GLN A 23 15.482 -11.144 -6.543 1.00 0.90 C ATOM 374 CG GLN A 23 15.308 -11.922 -7.828 1.00 1.04 C ATOM 375 CD GLN A 23 14.230 -12.989 -7.728 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.223 -12.755 -6.895 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 14.295 -14.016 -8.401 1.00 0.69 N flip ATOM 0 H GLN A 23 15.821 -10.467 -3.971 1.00 0.68 H new ATOM 0 HA GLN A 23 15.749 -13.006 -5.507 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.515 -10.743 -6.238 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.135 -10.292 -6.731 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.057 -11.232 -8.634 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.255 -12.392 -8.094 1.00 1.04 H new ATOM 0 HE21 GLN A 23 15.083 -14.164 -9.031 1.00 0.69 H new ATOM 0 HE22 GLN A 23 13.561 -14.720 -8.329 1.00 0.69 H new ATOM 386 N GLY A 24 18.261 -12.920 -5.058 1.00 1.03 N ATOM 387 CA GLY A 24 19.700 -12.855 -4.915 1.00 1.19 C ATOM 388 C GLY A 24 20.100 -11.929 -3.784 1.00 1.23 C ATOM 389 O GLY A 24 20.378 -12.375 -2.671 1.00 1.33 O ATOM 0 H GLY A 24 17.851 -13.831 -4.854 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.094 -13.854 -4.727 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.145 -12.507 -5.847 1.00 1.19 H new ATOM 393 N GLU A 25 20.095 -10.636 -4.071 1.00 1.27 N ATOM 394 CA GLU A 25 20.443 -9.623 -3.086 1.00 1.43 C ATOM 395 C GLU A 25 19.443 -8.467 -3.128 1.00 1.40 C ATOM 396 O GLU A 25 19.654 -7.424 -2.511 1.00 1.61 O ATOM 397 CB GLU A 25 21.853 -9.108 -3.353 1.00 1.67 C ATOM 398 CG GLU A 25 22.915 -10.195 -3.298 1.00 1.84 C ATOM 399 CD GLU A 25 24.270 -9.701 -3.758 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.535 -9.734 -4.976 1.00 2.21 O ATOM 401 OE2 GLU A 25 25.080 -9.291 -2.898 1.00 2.33 O ATOM 0 H GLU A 25 19.851 -10.261 -4.988 1.00 1.27 H new ATOM 0 HA GLU A 25 20.407 -10.072 -2.093 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.879 -8.635 -4.335 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.095 -8.337 -2.621 1.00 1.67 H new ATOM 0 HG2 GLU A 25 22.995 -10.570 -2.278 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.606 -11.033 -3.922 1.00 1.84 H new ATOM 408 N ASN A 26 18.348 -8.672 -3.849 1.00 1.21 N ATOM 409 CA ASN A 26 17.348 -7.621 -4.040 1.00 1.23 C ATOM 410 C ASN A 26 16.066 -7.958 -3.291 1.00 1.05 C ATOM 411 O ASN A 26 15.930 -9.052 -2.754 1.00 1.06 O ATOM 412 CB ASN A 26 17.028 -7.450 -5.528 1.00 1.31 C ATOM 413 CG ASN A 26 18.270 -7.354 -6.385 1.00 1.39 C ATOM 414 OD1 ASN A 26 18.805 -6.271 -6.608 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.730 -8.494 -6.874 1.00 1.33 N ATOM 0 H ASN A 26 18.127 -9.554 -4.312 1.00 1.21 H new ATOM 0 HA ASN A 26 17.761 -6.691 -3.648 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.424 -8.292 -5.865 1.00 1.31 H new ATOM 0 HB3 ASN A 26 16.427 -6.551 -5.665 1.00 1.31 H new ATOM 0 HD21 ASN A 26 19.563 -8.497 -7.463 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.252 -9.370 -6.662 1.00 1.33 H new ATOM 422 N LEU A 27 15.126 -7.027 -3.281 1.00 0.95 N ATOM 423 CA LEU A 27 13.827 -7.260 -2.675 1.00 0.82 C ATOM 424 C LEU A 27 12.725 -6.934 -3.665 1.00 0.71 C ATOM 425 O LEU A 27 12.661 -5.833 -4.214 1.00 0.81 O ATOM 426 CB LEU A 27 13.659 -6.452 -1.381 1.00 0.93 C ATOM 427 CG LEU A 27 12.216 -6.126 -0.975 1.00 1.28 C ATOM 428 CD1 LEU A 27 11.427 -7.389 -0.703 1.00 2.28 C ATOM 429 CD2 LEU A 27 12.204 -5.216 0.243 1.00 1.62 C ATOM 0 H LEU A 27 15.240 -6.099 -3.688 1.00 0.95 H new ATOM 0 HA LEU A 27 13.759 -8.315 -2.410 1.00 0.82 H new ATOM 0 HB2 LEU A 27 14.128 -7.005 -0.567 1.00 0.93 H new ATOM 0 HB3 LEU A 27 14.206 -5.515 -1.487 1.00 0.93 H new ATOM 0 HG LEU A 27 11.739 -5.606 -1.806 1.00 1.28 H new ATOM 0 HD11 LEU A 27 10.408 -7.127 -0.417 1.00 2.28 H new ATOM 0 HD12 LEU A 27 11.405 -8.005 -1.602 1.00 2.28 H new ATOM 0 HD13 LEU A 27 11.899 -7.946 0.107 1.00 2.28 H new ATOM 0 HD21 LEU A 27 11.174 -4.993 0.520 1.00 1.62 H new ATOM 0 HD22 LEU A 27 12.704 -5.714 1.074 1.00 1.62 H new ATOM 0 HD23 LEU A 27 12.726 -4.288 0.009 1.00 1.62 H new ATOM 441 N ILE A 28 11.879 -7.913 -3.905 1.00 0.57 N ATOM 442 CA ILE A 28 10.727 -7.734 -4.745 1.00 0.52 C ATOM 443 C ILE A 28 9.507 -7.498 -3.867 1.00 0.44 C ATOM 444 O ILE A 28 9.292 -8.207 -2.868 1.00 0.43 O ATOM 445 CB ILE A 28 10.519 -8.948 -5.691 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.383 -8.796 -6.949 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.057 -9.111 -6.086 1.00 0.47 C ATOM 448 CD1 ILE A 28 12.867 -8.653 -6.679 1.00 0.80 C ATOM 0 H ILE A 28 11.975 -8.853 -3.521 1.00 0.57 H new ATOM 0 HA ILE A 28 10.882 -6.865 -5.384 1.00 0.52 H new ATOM 0 HB ILE A 28 10.823 -9.843 -5.147 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.225 -9.664 -7.590 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.042 -7.923 -7.505 1.00 0.75 H new ATOM 0 HG21 ILE A 28 8.953 -9.971 -6.748 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.454 -9.266 -5.192 1.00 0.47 H new ATOM 0 HG23 ILE A 28 8.717 -8.213 -6.602 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.401 -8.551 -7.624 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.042 -7.769 -6.066 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.228 -9.536 -6.152 1.00 0.80 H new ATOM 460 N LEU A 29 8.749 -6.472 -4.236 1.00 0.51 N ATOM 461 CA LEU A 29 7.605 -6.016 -3.462 1.00 0.55 C ATOM 462 C LEU A 29 6.386 -6.838 -3.810 1.00 0.73 C ATOM 463 O LEU A 29 5.609 -7.233 -2.942 1.00 1.74 O ATOM 464 CB LEU A 29 7.314 -4.543 -3.774 1.00 0.71 C ATOM 465 CG LEU A 29 8.501 -3.729 -4.299 1.00 0.74 C ATOM 466 CD1 LEU A 29 8.051 -2.352 -4.765 1.00 1.28 C ATOM 467 CD2 LEU A 29 9.588 -3.598 -3.235 1.00 1.33 C ATOM 0 H LEU A 29 8.913 -5.932 -5.085 1.00 0.51 H new ATOM 0 HA LEU A 29 7.835 -6.129 -2.403 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.512 -4.498 -4.511 1.00 0.71 H new ATOM 0 HB3 LEU A 29 6.942 -4.065 -2.868 1.00 0.71 H new ATOM 0 HG LEU A 29 8.918 -4.264 -5.152 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.911 -1.793 -5.133 1.00 1.28 H new ATOM 0 HD12 LEU A 29 7.319 -2.460 -5.565 1.00 1.28 H new ATOM 0 HD13 LEU A 29 7.600 -1.815 -3.931 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.419 -3.016 -3.633 1.00 1.33 H new ATOM 0 HD22 LEU A 29 9.180 -3.095 -2.358 1.00 1.33 H new ATOM 0 HD23 LEU A 29 9.942 -4.589 -2.953 1.00 1.33 H new ATOM 479 N GLY A 30 6.224 -7.082 -5.097 1.00 0.40 N ATOM 480 CA GLY A 30 5.078 -7.809 -5.567 1.00 0.32 C ATOM 481 C GLY A 30 3.952 -6.880 -5.946 1.00 0.35 C ATOM 482 O GLY A 30 2.824 -7.310 -6.115 1.00 0.69 O ATOM 0 H GLY A 30 6.873 -6.786 -5.826 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.358 -8.414 -6.429 1.00 0.32 H new ATOM 0 HA3 GLY A 30 4.739 -8.496 -4.792 1.00 0.32 H new ATOM 486 N PHE A 31 4.262 -5.594 -6.061 1.00 0.29 N ATOM 487 CA PHE A 31 3.262 -4.586 -6.400 1.00 0.28 C ATOM 488 C PHE A 31 3.922 -3.376 -7.047 1.00 0.31 C ATOM 489 O PHE A 31 5.150 -3.293 -7.091 1.00 0.42 O ATOM 490 CB PHE A 31 2.513 -4.147 -5.136 1.00 0.28 C ATOM 491 CG PHE A 31 3.404 -3.619 -4.037 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.939 -2.340 -4.101 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.691 -4.397 -2.927 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.734 -1.855 -3.086 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.490 -3.917 -1.908 1.00 0.42 C ATOM 496 CZ PHE A 31 5.012 -2.643 -1.987 1.00 0.51 C ATOM 0 H PHE A 31 5.202 -5.223 -5.924 1.00 0.29 H new ATOM 0 HA PHE A 31 2.557 -5.023 -7.107 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.792 -3.375 -5.405 1.00 0.28 H new ATOM 0 HB3 PHE A 31 1.945 -4.994 -4.752 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.729 -1.717 -4.958 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.283 -5.395 -2.858 1.00 0.33 H new ATOM 0 HE1 PHE A 31 5.141 -0.857 -3.150 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.706 -4.538 -1.051 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.636 -2.263 -1.192 1.00 0.51 H new ATOM 506 N SER A 32 3.125 -2.432 -7.550 1.00 0.25 N ATOM 507 CA SER A 32 3.682 -1.175 -7.958 1.00 0.23 C ATOM 508 C SER A 32 3.167 -0.096 -7.031 1.00 0.23 C ATOM 509 O SER A 32 2.280 -0.355 -6.226 1.00 0.29 O ATOM 510 CB SER A 32 3.336 -0.881 -9.391 1.00 0.25 C ATOM 511 OG SER A 32 4.190 0.100 -9.952 1.00 0.53 O ATOM 0 H SER A 32 2.117 -2.524 -7.676 1.00 0.25 H new ATOM 0 HA SER A 32 4.770 -1.212 -7.894 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.404 -1.798 -9.976 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.303 -0.540 -9.452 1.00 0.25 H new ATOM 0 HG SER A 32 3.934 0.262 -10.884 1.00 0.53 H new ATOM 517 N ILE A 33 3.709 1.100 -7.127 1.00 0.23 N ATOM 518 CA ILE A 33 3.472 2.099 -6.102 1.00 0.25 C ATOM 519 C ILE A 33 3.473 3.519 -6.670 1.00 0.25 C ATOM 520 O ILE A 33 4.324 3.876 -7.486 1.00 0.32 O ATOM 521 CB ILE A 33 4.555 1.940 -5.017 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.518 3.070 -3.988 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.920 1.854 -5.675 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.577 2.934 -2.907 1.00 0.37 C ATOM 0 H ILE A 33 4.310 1.403 -7.894 1.00 0.23 H new ATOM 0 HA ILE A 33 2.482 1.943 -5.675 1.00 0.25 H new ATOM 0 HB ILE A 33 4.353 1.018 -4.472 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.652 4.023 -4.500 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.533 3.095 -3.521 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.687 1.742 -4.909 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.948 0.995 -6.345 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.107 2.764 -6.245 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.495 3.768 -2.210 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.431 1.997 -2.370 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.566 2.939 -3.364 1.00 0.37 H new ATOM 536 N GLY A 34 2.512 4.323 -6.233 1.00 0.26 N ATOM 537 CA GLY A 34 2.446 5.711 -6.639 1.00 0.43 C ATOM 538 C GLY A 34 2.930 6.618 -5.534 1.00 0.30 C ATOM 539 O GLY A 34 3.146 6.160 -4.406 1.00 0.72 O ATOM 0 H GLY A 34 1.769 4.032 -5.597 1.00 0.26 H new ATOM 0 HA2 GLY A 34 3.053 5.862 -7.532 1.00 0.43 H new ATOM 0 HA3 GLY A 34 1.420 5.968 -6.904 1.00 0.43 H new ATOM 543 N GLY A 35 3.100 7.895 -5.838 1.00 0.77 N ATOM 544 CA GLY A 35 3.867 8.741 -4.997 1.00 0.93 C ATOM 545 C GLY A 35 3.131 9.704 -4.114 1.00 0.73 C ATOM 546 O GLY A 35 1.988 10.084 -4.339 1.00 1.42 O ATOM 0 H GLY A 35 2.710 8.349 -6.664 1.00 0.77 H new ATOM 0 HA2 GLY A 35 4.485 8.108 -4.360 1.00 0.93 H new ATOM 0 HA3 GLY A 35 4.544 9.316 -5.629 1.00 0.93 H new ATOM 550 N GLY A 36 3.945 10.193 -3.201 1.00 0.40 N ATOM 551 CA GLY A 36 3.572 11.024 -2.116 1.00 0.39 C ATOM 552 C GLY A 36 3.539 12.497 -2.470 1.00 0.35 C ATOM 553 O GLY A 36 3.159 12.886 -3.571 1.00 0.48 O ATOM 0 H GLY A 36 4.946 9.997 -3.214 1.00 0.40 H new ATOM 0 HA2 GLY A 36 2.588 10.722 -1.758 1.00 0.39 H new ATOM 0 HA3 GLY A 36 4.271 10.871 -1.294 1.00 0.39 H new ATOM 557 N ILE A 37 3.947 13.307 -1.518 1.00 0.37 N ATOM 558 CA ILE A 37 3.974 14.756 -1.674 1.00 0.41 C ATOM 559 C ILE A 37 5.234 15.235 -2.377 1.00 0.38 C ATOM 560 O ILE A 37 5.374 16.420 -2.661 1.00 0.46 O ATOM 561 CB ILE A 37 3.910 15.432 -0.301 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.098 14.973 0.538 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.597 15.102 0.379 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.028 15.419 1.984 1.00 0.49 C ATOM 0 H ILE A 37 4.272 12.984 -0.607 1.00 0.37 H new ATOM 0 HA ILE A 37 3.110 15.023 -2.282 1.00 0.41 H new ATOM 0 HB ILE A 37 3.962 16.515 -0.417 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.157 13.885 0.505 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.016 15.356 0.093 1.00 0.47 H new ATOM 0 HG21 ILE A 37 2.561 15.587 1.355 1.00 0.52 H new ATOM 0 HG22 ILE A 37 1.770 15.459 -0.235 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.515 14.023 0.507 1.00 0.52 H new ATOM 0 HD11 ILE A 37 5.905 15.056 2.519 1.00 0.49 H new ATOM 0 HD12 ILE A 37 5.000 16.508 2.028 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.128 15.014 2.446 1.00 0.49 H new ATOM 576 N ASP A 38 6.147 14.316 -2.651 1.00 0.35 N ATOM 577 CA ASP A 38 7.430 14.683 -3.235 1.00 0.40 C ATOM 578 C ASP A 38 7.252 15.118 -4.684 1.00 0.56 C ATOM 579 O ASP A 38 7.992 15.962 -5.184 1.00 0.69 O ATOM 580 CB ASP A 38 8.412 13.518 -3.215 1.00 0.39 C ATOM 581 CG ASP A 38 7.940 12.393 -4.093 1.00 0.42 C ATOM 582 OD1 ASP A 38 6.855 11.865 -3.810 1.00 0.72 O ATOM 583 OD2 ASP A 38 8.627 12.055 -5.067 1.00 0.68 O ATOM 0 H ASP A 38 6.026 13.318 -2.480 1.00 0.35 H new ATOM 0 HA ASP A 38 7.825 15.501 -2.634 1.00 0.40 H new ATOM 0 HB2 ASP A 38 9.391 13.859 -3.551 1.00 0.39 H new ATOM 0 HB3 ASP A 38 8.533 13.159 -2.193 1.00 0.39 H new ATOM 588 N GLN A 39 6.272 14.515 -5.367 1.00 0.63 N ATOM 589 CA GLN A 39 6.081 14.788 -6.791 1.00 0.85 C ATOM 590 C GLN A 39 5.436 16.155 -6.944 1.00 0.93 C ATOM 591 O GLN A 39 5.881 16.998 -7.724 1.00 1.19 O ATOM 592 CB GLN A 39 5.190 13.757 -7.504 1.00 0.98 C ATOM 593 CG GLN A 39 5.583 12.301 -7.342 1.00 1.00 C ATOM 594 CD GLN A 39 4.562 11.616 -6.539 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.804 11.632 -5.268 1.00 0.78 O flip ATOM 596 NE2 GLN A 39 3.574 11.087 -7.044 1.00 0.82 N flip ATOM 0 H GLN A 39 5.613 13.849 -4.965 1.00 0.63 H new ATOM 0 HA GLN A 39 7.067 14.740 -7.253 1.00 0.85 H new ATOM 0 HB2 GLN A 39 4.169 13.878 -7.141 1.00 0.98 H new ATOM 0 HB3 GLN A 39 5.180 13.992 -8.568 1.00 0.98 H new ATOM 0 HG2 GLN A 39 5.676 11.825 -8.318 1.00 1.00 H new ATOM 0 HG3 GLN A 39 6.556 12.226 -6.857 1.00 1.00 H new ATOM 0 HE21 GLN A 39 3.444 11.111 -8.055 1.00 0.82 H new ATOM 0 HE22 GLN A 39 2.884 10.624 -6.452 1.00 0.82 H new ATOM 605 N ASP A 40 4.373 16.347 -6.178 1.00 1.05 N ATOM 606 CA ASP A 40 3.614 17.591 -6.179 1.00 1.20 C ATOM 607 C ASP A 40 3.235 17.980 -4.755 1.00 1.52 C ATOM 608 O ASP A 40 2.392 17.347 -4.127 1.00 1.82 O ATOM 609 CB ASP A 40 2.357 17.455 -7.047 1.00 1.55 C ATOM 610 CG ASP A 40 1.272 18.464 -6.705 1.00 1.97 C ATOM 611 OD1 ASP A 40 1.596 19.672 -6.614 1.00 2.32 O ATOM 612 OD2 ASP A 40 0.098 18.062 -6.543 1.00 2.57 O ATOM 0 H ASP A 40 4.010 15.643 -5.535 1.00 1.05 H new ATOM 0 HA ASP A 40 4.240 18.377 -6.601 1.00 1.20 H new ATOM 0 HB2 ASP A 40 2.634 17.572 -8.095 1.00 1.55 H new ATOM 0 HB3 ASP A 40 1.955 16.448 -6.935 1.00 1.55 H new ATOM 617 N PRO A 41 3.886 19.013 -4.224 1.00 1.71 N ATOM 618 CA PRO A 41 3.610 19.550 -2.903 1.00 2.21 C ATOM 619 C PRO A 41 2.671 20.746 -2.939 1.00 2.39 C ATOM 620 O PRO A 41 2.472 21.425 -1.934 1.00 2.82 O ATOM 621 CB PRO A 41 4.989 20.007 -2.436 1.00 2.49 C ATOM 622 CG PRO A 41 5.833 20.152 -3.676 1.00 2.20 C ATOM 623 CD PRO A 41 4.989 19.730 -4.854 1.00 1.69 C ATOM 0 HA PRO A 41 3.122 18.817 -2.261 1.00 2.21 H new ATOM 0 HB2 PRO A 41 4.923 20.953 -1.899 1.00 2.49 H new ATOM 0 HB3 PRO A 41 5.427 19.281 -1.751 1.00 2.49 H new ATOM 0 HG2 PRO A 41 6.167 21.183 -3.794 1.00 2.20 H new ATOM 0 HG3 PRO A 41 6.728 19.534 -3.605 1.00 2.20 H new ATOM 0 HD2 PRO A 41 4.638 20.588 -5.428 1.00 1.69 H new ATOM 0 HD3 PRO A 41 5.545 19.093 -5.542 1.00 1.69 H new ATOM 631 N SER A 42 2.097 21.002 -4.095 1.00 2.18 N ATOM 632 CA SER A 42 1.333 22.217 -4.297 1.00 2.37 C ATOM 633 C SER A 42 -0.161 21.936 -4.401 1.00 2.72 C ATOM 634 O SER A 42 -0.950 22.852 -4.648 1.00 3.26 O ATOM 635 CB SER A 42 1.839 22.926 -5.558 1.00 2.18 C ATOM 636 OG SER A 42 1.139 24.138 -5.798 1.00 2.34 O ATOM 0 H SER A 42 2.144 20.388 -4.908 1.00 2.18 H new ATOM 0 HA SER A 42 1.475 22.863 -3.430 1.00 2.37 H new ATOM 0 HB2 SER A 42 2.904 23.135 -5.455 1.00 2.18 H new ATOM 0 HB3 SER A 42 1.726 22.265 -6.417 1.00 2.18 H new ATOM 0 HG SER A 42 0.201 24.032 -5.535 1.00 2.34 H new ATOM 642 N GLN A 43 -0.557 20.690 -4.185 1.00 2.58 N ATOM 643 CA GLN A 43 -1.950 20.300 -4.336 1.00 3.01 C ATOM 644 C GLN A 43 -2.288 19.173 -3.382 1.00 3.16 C ATOM 645 O GLN A 43 -2.848 18.156 -3.787 1.00 3.55 O ATOM 646 CB GLN A 43 -2.224 19.857 -5.765 1.00 3.10 C ATOM 647 CG GLN A 43 -2.442 21.002 -6.730 1.00 3.27 C ATOM 648 CD GLN A 43 -2.310 20.560 -8.164 1.00 3.19 C ATOM 649 OE1 GLN A 43 -1.434 19.597 -8.401 1.00 3.88 O flip ATOM 650 NE2 GLN A 43 -2.973 21.085 -9.055 1.00 2.74 N flip ATOM 0 H GLN A 43 0.066 19.933 -3.905 1.00 2.58 H new ATOM 0 HA GLN A 43 -2.574 21.163 -4.104 1.00 3.01 H new ATOM 0 HB2 GLN A 43 -1.386 19.254 -6.115 1.00 3.10 H new ATOM 0 HB3 GLN A 43 -3.105 19.215 -5.774 1.00 3.10 H new ATOM 0 HG2 GLN A 43 -3.433 21.427 -6.571 1.00 3.27 H new ATOM 0 HG3 GLN A 43 -1.719 21.792 -6.525 1.00 3.27 H new ATOM 0 HE21 GLN A 43 -3.638 21.825 -8.828 1.00 2.74 H new ATOM 0 HE22 GLN A 43 -2.859 20.781 -10.022 1.00 2.74 H new ATOM 659 N ASN A 44 -1.951 19.353 -2.116 1.00 3.05 N ATOM 660 CA ASN A 44 -2.178 18.314 -1.128 1.00 3.30 C ATOM 661 C ASN A 44 -2.436 18.873 0.279 1.00 3.09 C ATOM 662 O ASN A 44 -2.105 18.221 1.263 1.00 3.14 O ATOM 663 CB ASN A 44 -0.961 17.389 -1.105 1.00 3.86 C ATOM 664 CG ASN A 44 0.347 18.126 -0.858 1.00 4.45 C ATOM 665 OD1 ASN A 44 1.430 17.595 -1.397 1.00 4.63 O flip ATOM 666 ND2 ASN A 44 0.386 19.169 -0.206 1.00 5.14 N flip ATOM 0 H ASN A 44 -1.522 20.203 -1.751 1.00 3.05 H new ATOM 0 HA ASN A 44 -3.078 17.770 -1.415 1.00 3.30 H new ATOM 0 HB2 ASN A 44 -1.099 16.637 -0.328 1.00 3.86 H new ATOM 0 HB3 ASN A 44 -0.898 16.858 -2.055 1.00 3.86 H new ATOM 0 HD21 ASN A 44 -0.470 19.551 0.196 1.00 5.14 H new ATOM 0 HD22 ASN A 44 1.274 19.651 -0.068 1.00 5.14 H new ATOM 673 N PRO A 45 -3.089 20.049 0.424 1.00 3.14 N ATOM 674 CA PRO A 45 -3.236 20.687 1.720 1.00 3.25 C ATOM 675 C PRO A 45 -4.554 20.314 2.408 1.00 3.09 C ATOM 676 O PRO A 45 -4.829 20.734 3.531 1.00 3.46 O ATOM 677 CB PRO A 45 -3.205 22.163 1.336 1.00 3.62 C ATOM 678 CG PRO A 45 -3.808 22.236 -0.035 1.00 3.71 C ATOM 679 CD PRO A 45 -3.768 20.843 -0.619 1.00 3.49 C ATOM 0 HA PRO A 45 -2.472 20.392 2.440 1.00 3.25 H new ATOM 0 HB2 PRO A 45 -3.772 22.765 2.046 1.00 3.62 H new ATOM 0 HB3 PRO A 45 -2.185 22.547 1.336 1.00 3.62 H new ATOM 0 HG2 PRO A 45 -4.833 22.602 0.015 1.00 3.71 H new ATOM 0 HG3 PRO A 45 -3.252 22.932 -0.663 1.00 3.71 H new ATOM 0 HD2 PRO A 45 -4.770 20.465 -0.822 1.00 3.49 H new ATOM 0 HD3 PRO A 45 -3.221 20.819 -1.561 1.00 3.49 H new ATOM 687 N PHE A 46 -5.348 19.510 1.711 1.00 2.85 N ATOM 688 CA PHE A 46 -6.677 19.094 2.166 1.00 2.97 C ATOM 689 C PHE A 46 -7.317 18.306 1.043 1.00 2.64 C ATOM 690 O PHE A 46 -8.527 18.353 0.820 1.00 2.98 O ATOM 691 CB PHE A 46 -7.545 20.304 2.462 1.00 3.62 C ATOM 692 CG PHE A 46 -8.518 20.099 3.593 1.00 4.08 C ATOM 693 CD1 PHE A 46 -9.715 19.437 3.374 1.00 4.19 C ATOM 694 CD2 PHE A 46 -8.241 20.569 4.864 1.00 4.79 C ATOM 695 CE1 PHE A 46 -10.621 19.257 4.401 1.00 4.97 C ATOM 696 CE2 PHE A 46 -9.141 20.390 5.896 1.00 5.53 C ATOM 697 CZ PHE A 46 -10.293 19.706 5.695 1.00 5.62 C ATOM 0 H PHE A 46 -5.088 19.122 0.804 1.00 2.85 H new ATOM 0 HA PHE A 46 -6.584 18.500 3.075 1.00 2.97 H new ATOM 0 HB2 PHE A 46 -6.901 21.151 2.700 1.00 3.62 H new ATOM 0 HB3 PHE A 46 -8.100 20.569 1.562 1.00 3.62 H new ATOM 0 HD1 PHE A 46 -9.942 19.057 2.389 1.00 4.19 H new ATOM 0 HD2 PHE A 46 -7.309 21.082 5.052 1.00 4.79 H new ATOM 0 HE1 PHE A 46 -11.570 18.777 4.214 1.00 4.97 H new ATOM 0 HE2 PHE A 46 -8.925 20.799 6.872 1.00 5.53 H new ATOM 0 HZ PHE A 46 -10.957 19.506 6.523 1.00 5.62 H new ATOM 707 N SER A 47 -6.480 17.584 0.349 1.00 2.52 N ATOM 708 CA SER A 47 -6.826 16.990 -0.907 1.00 2.56 C ATOM 709 C SER A 47 -7.653 15.730 -0.747 1.00 3.05 C ATOM 710 O SER A 47 -8.021 15.357 0.365 1.00 3.73 O ATOM 711 CB SER A 47 -5.537 16.730 -1.644 1.00 3.07 C ATOM 712 OG SER A 47 -5.080 17.906 -2.283 1.00 3.77 O ATOM 0 H SER A 47 -5.524 17.391 0.648 1.00 2.52 H new ATOM 0 HA SER A 47 -7.461 17.669 -1.476 1.00 2.56 H new ATOM 0 HB2 SER A 47 -4.780 16.371 -0.947 1.00 3.07 H new ATOM 0 HB3 SER A 47 -5.687 15.943 -2.383 1.00 3.07 H new ATOM 0 HG SER A 47 -5.037 17.757 -3.251 1.00 3.77 H new ATOM 718 N GLU A 48 -7.922 15.105 -1.887 1.00 3.23 N ATOM 719 CA GLU A 48 -8.824 13.969 -2.021 1.00 4.12 C ATOM 720 C GLU A 48 -8.940 13.099 -0.775 1.00 4.20 C ATOM 721 O GLU A 48 -9.989 13.083 -0.122 1.00 5.09 O ATOM 722 CB GLU A 48 -8.344 13.127 -3.185 1.00 4.52 C ATOM 723 CG GLU A 48 -9.016 13.496 -4.498 1.00 5.60 C ATOM 724 CD GLU A 48 -8.677 12.548 -5.626 1.00 6.36 C ATOM 725 OE1 GLU A 48 -9.064 11.364 -5.546 1.00 6.76 O ATOM 726 OE2 GLU A 48 -8.048 12.987 -6.610 1.00 6.78 O ATOM 0 H GLU A 48 -7.503 15.385 -2.774 1.00 3.23 H new ATOM 0 HA GLU A 48 -9.823 14.372 -2.185 1.00 4.12 H new ATOM 0 HB2 GLU A 48 -7.265 13.242 -3.290 1.00 4.52 H new ATOM 0 HB3 GLU A 48 -8.533 12.076 -2.969 1.00 4.52 H new ATOM 0 HG2 GLU A 48 -10.096 13.509 -4.355 1.00 5.60 H new ATOM 0 HG3 GLU A 48 -8.720 14.506 -4.779 1.00 5.60 H new ATOM 733 N ASP A 49 -7.867 12.395 -0.447 1.00 3.44 N ATOM 734 CA ASP A 49 -7.903 11.381 0.594 1.00 3.59 C ATOM 735 C ASP A 49 -6.505 10.786 0.740 1.00 2.68 C ATOM 736 O ASP A 49 -5.522 11.438 0.388 1.00 2.54 O ATOM 737 CB ASP A 49 -8.920 10.298 0.206 1.00 4.14 C ATOM 738 CG ASP A 49 -9.360 9.460 1.382 1.00 4.88 C ATOM 739 OD1 ASP A 49 -9.237 9.930 2.530 1.00 5.47 O ATOM 740 OD2 ASP A 49 -9.811 8.323 1.164 1.00 5.10 O ATOM 0 H ASP A 49 -6.956 12.509 -0.890 1.00 3.44 H new ATOM 0 HA ASP A 49 -8.207 11.815 1.547 1.00 3.59 H new ATOM 0 HB2 ASP A 49 -9.793 10.771 -0.244 1.00 4.14 H new ATOM 0 HB3 ASP A 49 -8.482 9.650 -0.553 1.00 4.14 H new ATOM 745 N LYS A 50 -6.405 9.551 1.225 1.00 2.41 N ATOM 746 CA LYS A 50 -5.109 8.875 1.323 1.00 1.76 C ATOM 747 C LYS A 50 -4.563 8.568 -0.079 1.00 1.67 C ATOM 748 O LYS A 50 -3.484 7.997 -0.224 1.00 2.01 O ATOM 749 CB LYS A 50 -5.201 7.547 2.103 1.00 1.83 C ATOM 750 CG LYS A 50 -6.315 7.448 3.137 1.00 1.31 C ATOM 751 CD LYS A 50 -7.574 6.859 2.521 1.00 1.63 C ATOM 752 CE LYS A 50 -8.671 6.628 3.557 1.00 2.28 C ATOM 753 NZ LYS A 50 -9.156 7.895 4.160 1.00 3.07 N ATOM 0 H LYS A 50 -7.197 9.000 1.554 1.00 2.41 H new ATOM 0 HA LYS A 50 -4.444 9.552 1.859 1.00 1.76 H new ATOM 0 HB2 LYS A 50 -5.327 6.737 1.385 1.00 1.83 H new ATOM 0 HB3 LYS A 50 -4.250 7.380 2.608 1.00 1.83 H new ATOM 0 HG2 LYS A 50 -5.988 6.827 3.971 1.00 1.31 H new ATOM 0 HG3 LYS A 50 -6.531 8.437 3.541 1.00 1.31 H new ATOM 0 HD2 LYS A 50 -7.945 7.529 1.746 1.00 1.63 H new ATOM 0 HD3 LYS A 50 -7.331 5.914 2.036 1.00 1.63 H new ATOM 0 HE2 LYS A 50 -9.507 6.109 3.088 1.00 2.28 H new ATOM 0 HE3 LYS A 50 -8.292 5.976 4.344 1.00 2.28 H new ATOM 0 HZ1 LYS A 50 -8.875 7.933 5.161 1.00 3.07 H new ATOM 0 HZ2 LYS A 50 -8.740 8.702 3.653 1.00 3.07 H new ATOM 0 HZ3 LYS A 50 -10.193 7.939 4.089 1.00 3.07 H new ATOM 767 N THR A 51 -5.314 8.945 -1.107 1.00 2.06 N ATOM 768 CA THR A 51 -4.974 8.582 -2.471 1.00 2.68 C ATOM 769 C THR A 51 -4.475 9.786 -3.283 1.00 2.31 C ATOM 770 O THR A 51 -4.309 9.691 -4.499 1.00 2.92 O ATOM 771 CB THR A 51 -6.189 7.943 -3.175 1.00 3.69 C ATOM 772 OG1 THR A 51 -5.808 7.421 -4.453 1.00 4.56 O ATOM 773 CG2 THR A 51 -7.318 8.948 -3.346 1.00 3.71 C ATOM 0 H THR A 51 -6.163 9.503 -1.018 1.00 2.06 H new ATOM 0 HA THR A 51 -4.161 7.858 -2.418 1.00 2.68 H new ATOM 0 HB THR A 51 -6.546 7.128 -2.546 1.00 3.69 H new ATOM 0 HG1 THR A 51 -5.114 7.990 -4.845 1.00 4.56 H new ATOM 0 HG21 THR A 51 -8.160 8.468 -3.845 1.00 3.71 H new ATOM 0 HG22 THR A 51 -7.634 9.310 -2.368 1.00 3.71 H new ATOM 0 HG23 THR A 51 -6.970 9.787 -3.948 1.00 3.71 H new ATOM 781 N ASP A 52 -4.247 10.911 -2.613 1.00 1.72 N ATOM 782 CA ASP A 52 -3.719 12.106 -3.279 1.00 1.38 C ATOM 783 C ASP A 52 -2.203 12.020 -3.430 1.00 1.45 C ATOM 784 O ASP A 52 -1.681 11.057 -3.985 1.00 2.13 O ATOM 785 CB ASP A 52 -4.040 13.351 -2.468 1.00 1.44 C ATOM 786 CG ASP A 52 -3.913 14.606 -3.314 1.00 2.02 C ATOM 787 OD1 ASP A 52 -4.827 14.887 -4.112 1.00 2.34 O ATOM 788 OD2 ASP A 52 -2.895 15.315 -3.179 1.00 2.60 O ATOM 0 H ASP A 52 -4.417 11.025 -1.614 1.00 1.72 H new ATOM 0 HA ASP A 52 -4.186 12.164 -4.262 1.00 1.38 H new ATOM 0 HB2 ASP A 52 -5.052 13.278 -2.071 1.00 1.44 H new ATOM 0 HB3 ASP A 52 -3.366 13.415 -1.614 1.00 1.44 H new ATOM 793 N LYS A 53 -1.502 13.049 -2.938 1.00 1.32 N ATOM 794 CA LYS A 53 -0.063 13.013 -2.808 1.00 1.78 C ATOM 795 C LYS A 53 0.265 12.132 -1.634 1.00 1.57 C ATOM 796 O LYS A 53 0.674 12.588 -0.565 1.00 2.37 O ATOM 797 CB LYS A 53 0.519 14.407 -2.591 1.00 2.30 C ATOM 798 CG LYS A 53 0.151 15.406 -3.670 1.00 2.22 C ATOM 799 CD LYS A 53 0.488 14.898 -5.058 1.00 2.32 C ATOM 800 CE LYS A 53 -0.771 14.747 -5.889 1.00 2.67 C ATOM 801 NZ LYS A 53 -1.624 15.964 -5.813 1.00 3.48 N ATOM 0 H LYS A 53 -1.926 13.922 -2.623 1.00 1.32 H new ATOM 0 HA LYS A 53 0.374 12.624 -3.727 1.00 1.78 H new ATOM 0 HB2 LYS A 53 0.177 14.786 -1.628 1.00 2.30 H new ATOM 0 HB3 LYS A 53 1.605 14.331 -2.536 1.00 2.30 H new ATOM 0 HG2 LYS A 53 -0.916 15.623 -3.613 1.00 2.22 H new ATOM 0 HG3 LYS A 53 0.677 16.343 -3.490 1.00 2.22 H new ATOM 0 HD2 LYS A 53 1.173 15.589 -5.548 1.00 2.32 H new ATOM 0 HD3 LYS A 53 1.000 13.939 -4.986 1.00 2.32 H new ATOM 0 HE2 LYS A 53 -0.502 14.554 -6.928 1.00 2.67 H new ATOM 0 HE3 LYS A 53 -1.337 13.883 -5.541 1.00 2.67 H new ATOM 0 HZ1 LYS A 53 -2.300 15.964 -6.603 1.00 3.48 H new ATOM 0 HZ2 LYS A 53 -2.144 15.968 -4.912 1.00 3.48 H new ATOM 0 HZ3 LYS A 53 -1.025 16.812 -5.871 1.00 3.48 H new ATOM 815 N GLY A 54 0.047 10.873 -1.849 1.00 0.78 N ATOM 816 CA GLY A 54 0.153 9.911 -0.814 1.00 0.65 C ATOM 817 C GLY A 54 0.894 8.728 -1.359 1.00 0.53 C ATOM 818 O GLY A 54 1.028 8.618 -2.559 1.00 0.57 O ATOM 0 H GLY A 54 -0.211 10.487 -2.757 1.00 0.78 H new ATOM 0 HA2 GLY A 54 0.680 10.330 0.043 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -0.836 9.614 -0.466 1.00 0.65 H new ATOM 822 N ILE A 55 1.397 7.847 -0.545 1.00 0.48 N ATOM 823 CA ILE A 55 2.017 6.677 -1.107 1.00 0.40 C ATOM 824 C ILE A 55 1.001 5.572 -1.176 1.00 0.33 C ATOM 825 O ILE A 55 0.440 5.163 -0.166 1.00 0.43 O ATOM 826 CB ILE A 55 3.284 6.232 -0.358 1.00 0.46 C ATOM 827 CG1 ILE A 55 4.421 7.212 -0.653 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.676 4.833 -0.791 1.00 0.45 C ATOM 829 CD1 ILE A 55 4.228 8.576 -0.038 1.00 0.54 C ATOM 0 H ILE A 55 1.394 7.907 0.473 1.00 0.48 H new ATOM 0 HA ILE A 55 2.358 6.932 -2.110 1.00 0.40 H new ATOM 0 HB ILE A 55 3.087 6.224 0.714 1.00 0.46 H new ATOM 0 HG12 ILE A 55 5.356 6.789 -0.287 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.522 7.322 -1.733 1.00 0.51 H new ATOM 0 HG21 ILE A 55 4.574 4.525 -0.256 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.864 4.141 -0.565 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.872 4.825 -1.863 1.00 0.45 H new ATOM 0 HD11 ILE A 55 5.075 9.213 -0.292 1.00 0.54 H new ATOM 0 HD12 ILE A 55 3.311 9.022 -0.422 1.00 0.54 H new ATOM 0 HD13 ILE A 55 4.159 8.480 1.046 1.00 0.54 H new ATOM 841 N TYR A 56 0.744 5.110 -2.377 1.00 0.25 N ATOM 842 CA TYR A 56 -0.345 4.201 -2.598 1.00 0.23 C ATOM 843 C TYR A 56 -0.049 3.315 -3.781 1.00 0.18 C ATOM 844 O TYR A 56 0.364 3.763 -4.846 1.00 0.28 O ATOM 845 CB TYR A 56 -1.678 4.946 -2.767 1.00 0.36 C ATOM 846 CG TYR A 56 -1.702 5.953 -3.887 1.00 0.32 C ATOM 847 CD1 TYR A 56 -0.675 6.863 -4.046 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.741 5.968 -4.795 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.695 7.777 -5.083 1.00 0.90 C ATOM 850 CE2 TYR A 56 -2.778 6.864 -5.830 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.740 7.837 -5.918 1.00 1.01 C ATOM 852 OH TYR A 56 -1.772 8.675 -7.008 1.00 1.42 O ATOM 0 H TYR A 56 1.276 5.351 -3.213 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.449 3.569 -1.716 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.468 4.214 -2.938 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -1.914 5.457 -1.833 1.00 0.36 H new ATOM 0 HD1 TYR A 56 0.153 6.860 -3.352 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -3.545 5.255 -4.687 1.00 0.83 H new ATOM 0 HE1 TYR A 56 0.140 8.449 -5.221 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -3.573 6.834 -6.561 1.00 1.14 H new ATOM 0 HH TYR A 56 -2.622 8.562 -7.483 1.00 1.42 H new ATOM 862 N VAL A 57 -0.250 2.055 -3.549 1.00 0.18 N ATOM 863 CA VAL A 57 0.084 1.014 -4.471 1.00 0.17 C ATOM 864 C VAL A 57 -0.685 1.132 -5.772 1.00 0.16 C ATOM 865 O VAL A 57 -1.870 1.474 -5.783 1.00 0.22 O ATOM 866 CB VAL A 57 -0.193 -0.326 -3.789 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.074 -1.243 -4.621 1.00 0.51 C ATOM 868 CG2 VAL A 57 1.097 -1.017 -3.477 1.00 0.58 C ATOM 0 H VAL A 57 -0.665 1.711 -2.683 1.00 0.18 H new ATOM 0 HA VAL A 57 1.138 1.095 -4.737 1.00 0.17 H new ATOM 0 HB VAL A 57 -0.736 -0.105 -2.870 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.235 -2.178 -4.084 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.034 -0.759 -4.803 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -0.586 -1.451 -5.573 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.891 -1.971 -2.991 1.00 0.58 H new ATOM 0 HG22 VAL A 57 1.649 -1.192 -4.401 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.693 -0.392 -2.811 1.00 0.58 H new ATOM 878 N THR A 58 0.023 0.863 -6.857 1.00 0.17 N ATOM 879 CA THR A 58 -0.560 0.784 -8.168 1.00 0.24 C ATOM 880 C THR A 58 -0.131 -0.520 -8.830 1.00 0.38 C ATOM 881 O THR A 58 0.695 -0.523 -9.717 1.00 1.11 O ATOM 882 CB THR A 58 -0.147 1.962 -9.063 1.00 0.39 C ATOM 883 OG1 THR A 58 -0.231 3.190 -8.331 1.00 0.83 O ATOM 884 CG2 THR A 58 -1.049 2.022 -10.284 1.00 0.69 C ATOM 0 H THR A 58 1.029 0.693 -6.842 1.00 0.17 H new ATOM 0 HA THR A 58 -1.643 0.822 -8.049 1.00 0.24 H new ATOM 0 HB THR A 58 0.883 1.817 -9.387 1.00 0.39 H new ATOM 0 HG1 THR A 58 0.036 3.935 -8.910 1.00 0.83 H new ATOM 0 HG21 THR A 58 -0.752 2.859 -10.915 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.961 1.093 -10.848 1.00 0.69 H new ATOM 0 HG23 THR A 58 -2.083 2.156 -9.966 1.00 0.69 H new ATOM 892 N ARG A 59 -0.564 -1.615 -8.231 1.00 0.31 N ATOM 893 CA ARG A 59 -0.587 -2.960 -8.827 1.00 0.26 C ATOM 894 C ARG A 59 -0.399 -4.036 -7.776 1.00 0.26 C ATOM 895 O ARG A 59 -0.501 -3.779 -6.572 1.00 0.27 O ATOM 896 CB ARG A 59 0.471 -3.192 -9.909 1.00 0.26 C ATOM 897 CG ARG A 59 -0.028 -2.876 -11.301 1.00 0.34 C ATOM 898 CD ARG A 59 0.747 -3.656 -12.347 1.00 0.45 C ATOM 899 NE ARG A 59 0.261 -3.399 -13.697 1.00 1.06 N ATOM 900 CZ ARG A 59 -0.218 -4.344 -14.509 1.00 1.50 C ATOM 901 NH1 ARG A 59 -0.314 -5.601 -14.090 1.00 1.52 N ATOM 902 NH2 ARG A 59 -0.607 -4.032 -15.737 1.00 2.27 N ATOM 0 H ARG A 59 -0.926 -1.602 -7.277 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.571 -3.023 -9.291 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.344 -2.576 -9.694 1.00 0.26 H new ATOM 0 HB3 ARG A 59 0.797 -4.231 -9.873 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -1.088 -3.117 -11.374 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.070 -1.807 -11.492 1.00 0.34 H new ATOM 0 HD2 ARG A 59 1.803 -3.392 -12.286 1.00 0.45 H new ATOM 0 HD3 ARG A 59 0.672 -4.722 -12.132 1.00 0.45 H new ATOM 0 HE ARG A 59 0.289 -2.439 -14.042 1.00 1.06 H new ATOM 0 HH11 ARG A 59 -0.021 -5.847 -13.144 1.00 1.52 H new ATOM 0 HH12 ARG A 59 -0.681 -6.320 -14.714 1.00 1.52 H new ATOM 0 HH21 ARG A 59 -0.541 -3.068 -16.064 1.00 2.27 H new ATOM 0 HH22 ARG A 59 -0.973 -4.756 -16.356 1.00 2.27 H new ATOM 916 N VAL A 60 -0.229 -5.246 -8.296 1.00 0.26 N ATOM 917 CA VAL A 60 0.300 -6.410 -7.592 1.00 0.27 C ATOM 918 C VAL A 60 0.752 -7.395 -8.658 1.00 0.36 C ATOM 919 O VAL A 60 0.008 -7.668 -9.599 1.00 0.51 O ATOM 920 CB VAL A 60 -0.695 -7.164 -6.665 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.023 -8.318 -5.988 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.319 -6.278 -5.607 1.00 0.75 C ATOM 0 H VAL A 60 -0.467 -5.453 -9.266 1.00 0.26 H new ATOM 0 HA VAL A 60 1.087 -6.036 -6.937 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.506 -7.523 -7.299 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.673 -8.848 -5.338 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.406 -9.003 -6.745 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.852 -7.933 -5.395 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -2.002 -6.867 -4.996 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.536 -5.859 -4.975 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.869 -5.469 -6.088 1.00 0.75 H new ATOM 932 N SER A 61 1.958 -7.902 -8.542 1.00 0.45 N ATOM 933 CA SER A 61 2.440 -8.887 -9.485 1.00 0.56 C ATOM 934 C SER A 61 2.062 -10.279 -9.019 1.00 0.56 C ATOM 935 O SER A 61 2.381 -10.686 -7.897 1.00 0.64 O ATOM 936 CB SER A 61 3.949 -8.788 -9.662 1.00 0.72 C ATOM 937 OG SER A 61 4.357 -7.437 -9.836 1.00 1.65 O ATOM 0 H SER A 61 2.621 -7.651 -7.808 1.00 0.45 H new ATOM 0 HA SER A 61 1.973 -8.690 -10.450 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.449 -9.213 -8.791 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.256 -9.378 -10.525 1.00 0.72 H new ATOM 0 HG SER A 61 5.330 -7.401 -9.946 1.00 1.65 H new ATOM 943 N GLU A 62 1.362 -10.983 -9.884 1.00 0.68 N ATOM 944 CA GLU A 62 0.944 -12.349 -9.644 1.00 0.73 C ATOM 945 C GLU A 62 2.105 -13.231 -9.239 1.00 0.74 C ATOM 946 O GLU A 62 3.073 -13.396 -9.988 1.00 0.84 O ATOM 947 CB GLU A 62 0.308 -12.873 -10.908 1.00 0.86 C ATOM 948 CG GLU A 62 -1.123 -12.410 -11.066 1.00 1.45 C ATOM 949 CD GLU A 62 -1.694 -12.694 -12.434 1.00 1.62 C ATOM 950 OE1 GLU A 62 -0.999 -13.324 -13.261 1.00 1.85 O ATOM 951 OE2 GLU A 62 -2.842 -12.282 -12.693 1.00 1.75 O ATOM 0 H GLU A 62 1.063 -10.617 -10.788 1.00 0.68 H new ATOM 0 HA GLU A 62 0.232 -12.363 -8.819 1.00 0.73 H new ATOM 0 HB2 GLU A 62 0.891 -12.544 -11.768 1.00 0.86 H new ATOM 0 HB3 GLU A 62 0.336 -13.963 -10.901 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -1.741 -12.899 -10.313 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.174 -11.338 -10.874 1.00 1.45 H new ATOM 958 N GLY A 63 2.007 -13.773 -8.042 1.00 0.76 N ATOM 959 CA GLY A 63 3.024 -14.670 -7.553 1.00 0.86 C ATOM 960 C GLY A 63 4.013 -13.965 -6.656 1.00 0.80 C ATOM 961 O GLY A 63 4.935 -14.587 -6.126 1.00 0.92 O ATOM 0 H GLY A 63 1.236 -13.607 -7.395 1.00 0.76 H new ATOM 0 HA2 GLY A 63 2.555 -15.487 -7.005 1.00 0.86 H new ATOM 0 HA3 GLY A 63 3.552 -15.115 -8.397 1.00 0.86 H new ATOM 965 N GLY A 64 3.843 -12.661 -6.508 1.00 0.67 N ATOM 966 CA GLY A 64 4.660 -11.916 -5.590 1.00 0.66 C ATOM 967 C GLY A 64 4.052 -11.879 -4.217 1.00 0.63 C ATOM 968 O GLY A 64 2.899 -12.259 -4.026 1.00 0.99 O ATOM 0 H GLY A 64 3.150 -12.108 -7.012 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.652 -12.365 -5.538 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.789 -10.899 -5.959 1.00 0.66 H new ATOM 972 N PRO A 65 4.791 -11.359 -3.257 1.00 0.37 N ATOM 973 CA PRO A 65 4.451 -11.473 -1.845 1.00 0.27 C ATOM 974 C PRO A 65 3.305 -10.587 -1.432 1.00 0.23 C ATOM 975 O PRO A 65 2.583 -10.873 -0.475 1.00 0.29 O ATOM 976 CB PRO A 65 5.741 -11.069 -1.167 1.00 0.32 C ATOM 977 CG PRO A 65 6.376 -10.105 -2.103 1.00 0.43 C ATOM 978 CD PRO A 65 6.019 -10.586 -3.479 1.00 0.44 C ATOM 0 HA PRO A 65 4.103 -12.472 -1.581 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.551 -10.611 -0.196 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.383 -11.932 -0.992 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.008 -9.093 -1.933 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.457 -10.078 -1.965 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.853 -9.756 -4.165 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.810 -11.201 -3.908 1.00 0.44 H new ATOM 986 N ALA A 66 3.123 -9.538 -2.179 1.00 0.22 N ATOM 987 CA ALA A 66 2.040 -8.619 -1.950 1.00 0.24 C ATOM 988 C ALA A 66 0.698 -9.276 -2.243 1.00 0.29 C ATOM 989 O ALA A 66 -0.332 -8.884 -1.702 1.00 0.36 O ATOM 990 CB ALA A 66 2.244 -7.413 -2.821 1.00 0.27 C ATOM 0 H ALA A 66 3.722 -9.292 -2.967 1.00 0.22 H new ATOM 0 HA ALA A 66 2.032 -8.319 -0.902 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.431 -6.706 -2.659 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.193 -6.939 -2.569 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.257 -7.718 -3.867 1.00 0.27 H new ATOM 996 N GLU A 67 0.717 -10.305 -3.079 1.00 0.30 N ATOM 997 CA GLU A 67 -0.501 -11.006 -3.441 1.00 0.42 C ATOM 998 C GLU A 67 -0.920 -11.892 -2.286 1.00 0.39 C ATOM 999 O GLU A 67 -2.105 -12.055 -1.990 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.270 -11.856 -4.685 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.513 -12.581 -5.154 1.00 0.77 C ATOM 1002 CD GLU A 67 -1.222 -13.622 -6.206 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -0.957 -13.239 -7.364 1.00 1.79 O ATOM 1004 OE2 GLU A 67 -1.231 -14.824 -5.884 1.00 1.54 O ATOM 0 H GLU A 67 1.563 -10.670 -3.517 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.286 -10.281 -3.656 1.00 0.42 H new ATOM 0 HB2 GLU A 67 0.095 -11.218 -5.490 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.512 -12.587 -4.477 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -1.993 -13.059 -4.300 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -2.222 -11.856 -5.554 1.00 0.77 H new ATOM 1011 N ILE A 68 0.087 -12.449 -1.640 1.00 0.31 N ATOM 1012 CA ILE A 68 -0.105 -13.337 -0.505 1.00 0.31 C ATOM 1013 C ILE A 68 -0.531 -12.542 0.724 1.00 0.28 C ATOM 1014 O ILE A 68 -1.425 -12.956 1.463 1.00 0.34 O ATOM 1015 CB ILE A 68 1.187 -14.133 -0.192 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.474 -15.175 -1.281 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.083 -14.822 1.159 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.641 -14.601 -2.666 1.00 0.51 C ATOM 0 H ILE A 68 1.065 -12.299 -1.887 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.891 -14.046 -0.766 1.00 0.31 H new ATOM 0 HB ILE A 68 2.011 -13.420 -0.165 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.380 -15.720 -1.015 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.660 -15.899 -1.297 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.001 -15.375 1.357 1.00 0.32 H new ATOM 0 HG22 ILE A 68 0.934 -14.074 1.938 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.239 -15.512 1.152 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.841 -15.407 -3.372 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.728 -14.081 -2.957 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.475 -13.899 -2.671 1.00 0.51 H new ATOM 1030 N ALA A 69 0.109 -11.393 0.926 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.217 -10.527 2.048 1.00 0.24 C ATOM 1032 C ALA A 69 -1.568 -9.859 1.847 1.00 0.31 C ATOM 1033 O ALA A 69 -2.192 -9.411 2.809 1.00 0.41 O ATOM 1034 CB ALA A 69 0.864 -9.481 2.253 1.00 0.24 C ATOM 0 H ALA A 69 0.856 -11.043 0.326 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.272 -11.147 2.943 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.599 -8.845 3.097 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.814 -9.975 2.455 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.956 -8.872 1.354 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.012 -9.788 0.595 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.343 -9.276 0.324 1.00 0.41 C ATOM 1042 C GLY A 70 -3.372 -7.824 -0.124 1.00 0.36 C ATOM 1043 O GLY A 70 -4.073 -7.008 0.462 1.00 0.45 O ATOM 0 H GLY A 70 -1.481 -10.072 -0.228 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.807 -9.892 -0.446 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.950 -9.379 1.223 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.621 -7.498 -1.163 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.671 -6.158 -1.739 1.00 0.30 C ATOM 1049 C LEU A 71 -3.609 -6.163 -2.950 1.00 0.24 C ATOM 1050 O LEU A 71 -3.904 -7.236 -3.495 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.260 -5.715 -2.122 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.942 -4.245 -1.868 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.231 -3.877 -0.421 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.509 -3.968 -2.201 1.00 0.87 C ATOM 0 H LEU A 71 -1.972 -8.136 -1.625 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.060 -5.447 -1.011 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.544 -6.324 -1.570 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -1.107 -5.924 -3.181 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.577 -3.634 -2.509 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -0.998 -2.825 -0.260 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.285 -4.053 -0.204 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -0.618 -4.490 0.240 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.730 -2.917 -2.018 1.00 0.87 H new ATOM 0 HD22 LEU A 71 1.151 -4.588 -1.575 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.692 -4.200 -3.250 1.00 0.87 H new ATOM 1066 N GLN A 72 -4.088 -4.996 -3.384 1.00 0.24 N ATOM 1067 CA GLN A 72 -5.163 -4.970 -4.370 1.00 0.33 C ATOM 1068 C GLN A 72 -4.930 -4.042 -5.554 1.00 0.25 C ATOM 1069 O GLN A 72 -5.896 -3.548 -6.137 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.471 -4.609 -3.702 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.597 -3.163 -3.264 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.543 -3.032 -2.103 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -8.755 -2.849 -2.261 1.00 1.21 O ATOM 1074 NE2 GLN A 72 -6.995 -3.123 -0.918 1.00 0.64 N ATOM 0 H GLN A 72 -3.758 -4.081 -3.077 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.193 -5.978 -4.783 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -7.286 -4.836 -4.390 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -6.603 -5.249 -2.829 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -5.617 -2.777 -2.984 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -6.952 -2.557 -4.097 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -5.990 -3.274 -0.831 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -7.573 -3.043 -0.081 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.674 -3.821 -5.941 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.380 -3.057 -7.137 1.00 0.26 C ATOM 1085 C ILE A 73 -3.597 -1.545 -6.906 1.00 0.23 C ATOM 1086 O ILE A 73 -3.177 -0.714 -7.712 1.00 0.31 O ATOM 1087 CB ILE A 73 -4.214 -3.593 -8.347 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.630 -4.899 -8.907 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -4.318 -2.572 -9.448 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.926 -6.125 -8.071 1.00 0.77 C ATOM 0 H ILE A 73 -2.852 -4.161 -5.442 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.325 -3.188 -7.379 1.00 0.26 H new ATOM 0 HB ILE A 73 -5.215 -3.796 -7.965 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -4.022 -5.056 -9.912 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -2.549 -4.789 -8.999 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.905 -2.982 -10.270 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.805 -1.674 -9.067 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -3.320 -2.319 -9.805 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.477 -7.001 -8.539 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -3.510 -5.993 -7.072 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -5.005 -6.265 -7.999 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.122 -1.192 -5.739 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.582 0.165 -5.510 1.00 0.25 C ATOM 1104 C GLY A 74 -4.792 0.441 -4.040 1.00 0.29 C ATOM 1105 O GLY A 74 -5.914 0.669 -3.591 1.00 0.37 O ATOM 0 H GLY A 74 -4.238 -1.822 -4.946 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -3.854 0.869 -5.912 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.515 0.329 -6.048 1.00 0.25 H new ATOM 1109 N ASP A 75 -3.703 0.435 -3.298 1.00 0.28 N ATOM 1110 CA ASP A 75 -3.771 0.467 -1.840 1.00 0.34 C ATOM 1111 C ASP A 75 -3.089 1.709 -1.291 1.00 0.30 C ATOM 1112 O ASP A 75 -1.999 2.042 -1.704 1.00 0.35 O ATOM 1113 CB ASP A 75 -3.101 -0.775 -1.259 1.00 0.44 C ATOM 1114 CG ASP A 75 -3.725 -2.072 -1.732 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -3.505 -2.445 -2.901 1.00 0.89 O ATOM 1116 OD2 ASP A 75 -4.457 -2.710 -0.942 1.00 0.85 O ATOM 0 H ASP A 75 -2.756 0.408 -3.676 1.00 0.28 H new ATOM 0 HA ASP A 75 -4.822 0.488 -1.551 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -2.045 -0.769 -1.529 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -3.152 -0.731 -0.171 1.00 0.44 H new ATOM 1121 N LYS A 76 -3.709 2.367 -0.331 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.194 3.634 0.172 1.00 0.28 C ATOM 1123 C LYS A 76 -2.344 3.394 1.419 1.00 0.28 C ATOM 1124 O LYS A 76 -2.860 3.174 2.496 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.351 4.587 0.494 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.580 4.412 -0.395 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.291 4.688 -1.866 1.00 1.17 C ATOM 1128 CE LYS A 76 -6.520 4.411 -2.727 1.00 1.55 C ATOM 1129 NZ LYS A 76 -6.308 4.747 -4.162 1.00 2.20 N ATOM 0 H LYS A 76 -4.568 2.050 0.118 1.00 0.30 H new ATOM 0 HA LYS A 76 -2.571 4.091 -0.597 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -4.646 4.442 1.533 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -3.996 5.614 0.404 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -5.958 3.395 -0.289 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -6.368 5.082 -0.053 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -4.982 5.726 -1.991 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -4.461 4.066 -2.200 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -6.788 3.358 -2.641 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -7.363 4.987 -2.345 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -7.227 4.801 -4.645 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -5.823 5.664 -4.236 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -5.725 4.010 -4.609 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.043 3.441 1.270 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.132 3.048 2.340 1.00 0.27 C ATOM 1145 C ILE A 77 -0.097 4.062 3.477 1.00 0.25 C ATOM 1146 O ILE A 77 0.277 5.227 3.280 1.00 0.29 O ATOM 1147 CB ILE A 77 1.276 2.862 1.778 1.00 0.31 C ATOM 1148 CG1 ILE A 77 1.274 1.686 0.798 1.00 0.36 C ATOM 1149 CG2 ILE A 77 2.329 2.693 2.882 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.390 2.110 -0.649 1.00 0.49 C ATOM 0 H ILE A 77 -0.579 3.749 0.415 1.00 0.28 H new ATOM 0 HA ILE A 77 -0.502 2.109 2.750 1.00 0.27 H new ATOM 0 HB ILE A 77 1.560 3.768 1.243 1.00 0.31 H new ATOM 0 HG12 ILE A 77 2.101 1.019 1.041 1.00 0.36 H new ATOM 0 HG13 ILE A 77 0.355 1.115 0.929 1.00 0.36 H new ATOM 0 HG21 ILE A 77 3.313 2.564 2.430 1.00 0.38 H new ATOM 0 HG22 ILE A 77 2.335 3.578 3.518 1.00 0.38 H new ATOM 0 HG23 ILE A 77 2.088 1.816 3.483 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.382 1.227 -1.289 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.549 2.753 -0.908 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.322 2.656 -0.795 1.00 0.49 H new ATOM 1162 N MET A 78 -0.501 3.598 4.662 1.00 0.22 N ATOM 1163 CA MET A 78 -0.484 4.408 5.875 1.00 0.24 C ATOM 1164 C MET A 78 0.794 4.232 6.687 1.00 0.24 C ATOM 1165 O MET A 78 1.039 4.987 7.628 1.00 0.30 O ATOM 1166 CB MET A 78 -1.695 4.073 6.756 1.00 0.33 C ATOM 1167 CG MET A 78 -3.034 4.065 6.031 1.00 0.32 C ATOM 1168 SD MET A 78 -3.710 5.710 5.711 1.00 0.75 S ATOM 1169 CE MET A 78 -2.460 6.359 4.611 1.00 1.06 C ATOM 0 H MET A 78 -0.849 2.650 4.804 1.00 0.22 H new ATOM 0 HA MET A 78 -0.528 5.448 5.553 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.537 3.094 7.208 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.744 4.796 7.571 1.00 0.33 H new ATOM 0 HG2 MET A 78 -2.918 3.541 5.082 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.752 3.498 6.623 1.00 0.32 H new ATOM 0 HE1 MET A 78 -2.822 7.278 4.150 1.00 1.06 H new ATOM 0 HE2 MET A 78 -1.552 6.570 5.176 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.242 5.625 3.835 1.00 1.06 H new ATOM 1179 N GLN A 79 1.608 3.248 6.336 1.00 0.23 N ATOM 1180 CA GLN A 79 2.845 2.994 7.077 1.00 0.23 C ATOM 1181 C GLN A 79 3.723 1.946 6.398 1.00 0.24 C ATOM 1182 O GLN A 79 3.227 1.074 5.688 1.00 0.24 O ATOM 1183 CB GLN A 79 2.541 2.561 8.523 1.00 0.26 C ATOM 1184 CG GLN A 79 3.374 1.375 8.978 1.00 0.54 C ATOM 1185 CD GLN A 79 3.271 1.072 10.452 1.00 0.50 C ATOM 1186 OE1 GLN A 79 3.319 -0.089 10.855 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.179 2.107 11.262 1.00 0.43 N ATOM 0 H GLN A 79 1.442 2.616 5.553 1.00 0.23 H new ATOM 0 HA GLN A 79 3.398 3.933 7.091 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.721 3.402 9.193 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.484 2.308 8.605 1.00 0.26 H new ATOM 0 HG2 GLN A 79 3.067 0.493 8.416 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.419 1.563 8.730 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.142 3.052 10.880 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.145 1.963 12.271 1.00 0.43 H new ATOM 1196 N VAL A 80 5.029 2.031 6.656 1.00 0.28 N ATOM 1197 CA VAL A 80 5.996 1.072 6.128 1.00 0.35 C ATOM 1198 C VAL A 80 6.951 0.600 7.232 1.00 0.31 C ATOM 1199 O VAL A 80 7.826 1.347 7.658 1.00 0.31 O ATOM 1200 CB VAL A 80 6.830 1.672 4.974 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.908 0.699 4.521 1.00 0.85 C ATOM 1202 CG2 VAL A 80 5.938 2.055 3.805 1.00 1.31 C ATOM 0 H VAL A 80 5.443 2.763 7.234 1.00 0.28 H new ATOM 0 HA VAL A 80 5.423 0.228 5.745 1.00 0.35 H new ATOM 0 HB VAL A 80 7.316 2.574 5.346 1.00 0.52 H new ATOM 0 HG11 VAL A 80 8.482 1.144 3.708 1.00 0.85 H new ATOM 0 HG12 VAL A 80 8.573 0.478 5.356 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.443 -0.224 4.174 1.00 0.85 H new ATOM 0 HG21 VAL A 80 6.547 2.475 3.005 1.00 1.31 H new ATOM 0 HG22 VAL A 80 5.418 1.170 3.439 1.00 1.31 H new ATOM 0 HG23 VAL A 80 5.208 2.795 4.132 1.00 1.31 H new ATOM 1212 N ASN A 81 6.755 -0.630 7.699 1.00 0.34 N ATOM 1213 CA ASN A 81 7.633 -1.263 8.695 1.00 0.38 C ATOM 1214 C ASN A 81 7.789 -0.433 9.963 1.00 0.34 C ATOM 1215 O ASN A 81 8.838 -0.473 10.603 1.00 0.40 O ATOM 1216 CB ASN A 81 9.015 -1.546 8.095 1.00 0.46 C ATOM 1217 CG ASN A 81 9.067 -2.858 7.336 1.00 0.70 C ATOM 1218 OD1 ASN A 81 8.735 -2.918 6.157 1.00 1.50 O ATOM 1219 ND2 ASN A 81 9.507 -3.917 8.000 1.00 1.18 N ATOM 0 H ASN A 81 5.981 -1.223 7.400 1.00 0.34 H new ATOM 0 HA ASN A 81 7.151 -2.200 8.975 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.289 -0.732 7.424 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.756 -1.564 8.894 1.00 0.46 H new ATOM 0 HD21 ASN A 81 9.578 -4.820 7.531 1.00 1.18 H new ATOM 0 HD22 ASN A 81 9.774 -3.829 8.980 1.00 1.18 H new ATOM 1226 N GLY A 82 6.744 0.287 10.350 1.00 0.32 N ATOM 1227 CA GLY A 82 6.832 1.097 11.551 1.00 0.34 C ATOM 1228 C GLY A 82 6.984 2.568 11.238 1.00 0.31 C ATOM 1229 O GLY A 82 6.862 3.413 12.123 1.00 0.38 O ATOM 0 H GLY A 82 5.849 0.326 9.863 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.937 0.946 12.155 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.680 0.765 12.150 1.00 0.34 H new ATOM 1233 N TRP A 83 7.266 2.874 9.978 1.00 0.28 N ATOM 1234 CA TRP A 83 7.255 4.253 9.521 1.00 0.28 C ATOM 1235 C TRP A 83 5.826 4.701 9.358 1.00 0.29 C ATOM 1236 O TRP A 83 4.928 3.884 9.263 1.00 0.48 O ATOM 1237 CB TRP A 83 7.996 4.428 8.199 1.00 0.30 C ATOM 1238 CG TRP A 83 9.473 4.369 8.345 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.262 3.295 8.108 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.338 5.425 8.765 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.574 3.613 8.345 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.648 4.912 8.755 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.140 6.751 9.150 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.751 5.675 9.114 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.238 7.511 9.505 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.531 6.966 9.486 1.00 0.76 C ATOM 0 H TRP A 83 7.503 2.189 9.260 1.00 0.28 H new ATOM 0 HA TRP A 83 7.769 4.860 10.267 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.675 3.652 7.504 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.719 5.386 7.758 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.909 2.328 7.780 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.367 2.981 8.233 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.147 7.176 9.170 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.748 5.259 9.099 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.099 8.540 9.802 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.369 7.584 9.773 1.00 0.76 H new ATOM 1257 N ASP A 84 5.626 5.983 9.296 1.00 0.39 N ATOM 1258 CA ASP A 84 4.282 6.531 9.247 1.00 0.41 C ATOM 1259 C ASP A 84 4.054 7.261 7.936 1.00 0.40 C ATOM 1260 O ASP A 84 4.706 8.268 7.656 1.00 0.59 O ATOM 1261 CB ASP A 84 4.056 7.475 10.422 1.00 0.62 C ATOM 1262 CG ASP A 84 2.594 7.847 10.595 1.00 1.16 C ATOM 1263 OD1 ASP A 84 2.138 8.823 9.958 1.00 1.28 O ATOM 1264 OD2 ASP A 84 1.891 7.168 11.377 1.00 1.89 O ATOM 0 H ASP A 84 6.371 6.680 9.278 1.00 0.39 H new ATOM 0 HA ASP A 84 3.569 5.709 9.314 1.00 0.41 H new ATOM 0 HB2 ASP A 84 4.419 7.006 11.336 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.643 8.381 10.274 1.00 0.62 H new ATOM 1269 N MET A 85 3.143 6.749 7.126 1.00 0.36 N ATOM 1270 CA MET A 85 2.884 7.344 5.833 1.00 0.46 C ATOM 1271 C MET A 85 1.557 8.079 5.831 1.00 0.36 C ATOM 1272 O MET A 85 0.490 7.479 5.735 1.00 0.56 O ATOM 1273 CB MET A 85 2.889 6.276 4.739 1.00 0.76 C ATOM 1274 CG MET A 85 4.169 5.466 4.702 1.00 0.49 C ATOM 1275 SD MET A 85 5.627 6.505 4.536 1.00 1.01 S ATOM 1276 CE MET A 85 6.911 5.310 4.857 1.00 0.44 C ATOM 0 H MET A 85 2.576 5.929 7.341 1.00 0.36 H new ATOM 0 HA MET A 85 3.679 8.062 5.630 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.045 5.603 4.893 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.742 6.756 3.771 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.249 4.874 5.614 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.129 4.764 3.869 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.874 5.817 4.915 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.709 4.804 5.801 1.00 0.44 H new ATOM 0 HE3 MET A 85 6.936 4.577 4.051 1.00 0.44 H new ATOM 1286 N THR A 86 1.644 9.382 5.946 1.00 0.31 N ATOM 1287 CA THR A 86 0.517 10.257 5.762 1.00 0.35 C ATOM 1288 C THR A 86 0.935 11.444 4.926 1.00 0.46 C ATOM 1289 O THR A 86 1.427 12.446 5.444 1.00 1.05 O ATOM 1290 CB THR A 86 -0.069 10.730 7.095 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.952 10.783 8.107 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.197 9.816 7.524 1.00 0.37 C ATOM 0 H THR A 86 2.511 9.868 6.173 1.00 0.31 H new ATOM 0 HA THR A 86 -0.264 9.696 5.249 1.00 0.35 H new ATOM 0 HB THR A 86 -0.468 11.736 6.962 1.00 0.36 H new ATOM 0 HG1 THR A 86 1.058 9.897 8.512 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.605 10.163 8.473 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.981 9.825 6.767 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.818 8.801 7.641 1.00 0.37 H new ATOM 1300 N MET A 87 0.754 11.294 3.620 1.00 0.56 N ATOM 1301 CA MET A 87 1.213 12.268 2.631 1.00 0.65 C ATOM 1302 C MET A 87 2.663 12.640 2.890 1.00 0.76 C ATOM 1303 O MET A 87 2.969 13.756 3.288 1.00 1.49 O ATOM 1304 CB MET A 87 0.335 13.530 2.594 1.00 0.84 C ATOM 1305 CG MET A 87 -0.972 13.380 3.351 1.00 0.97 C ATOM 1306 SD MET A 87 -2.127 14.737 3.073 1.00 1.36 S ATOM 1307 CE MET A 87 -3.605 14.080 3.841 1.00 1.62 C ATOM 0 H MET A 87 0.281 10.488 3.212 1.00 0.56 H new ATOM 0 HA MET A 87 1.130 11.794 1.653 1.00 0.65 H new ATOM 0 HB2 MET A 87 0.895 14.365 3.014 1.00 0.84 H new ATOM 0 HB3 MET A 87 0.118 13.782 1.556 1.00 0.84 H new ATOM 0 HG2 MET A 87 -1.447 12.444 3.057 1.00 0.97 H new ATOM 0 HG3 MET A 87 -0.758 13.308 4.417 1.00 0.97 H new ATOM 0 HE1 MET A 87 -4.414 14.805 3.752 1.00 1.62 H new ATOM 0 HE2 MET A 87 -3.892 13.153 3.344 1.00 1.62 H new ATOM 0 HE3 MET A 87 -3.410 13.881 4.895 1.00 1.62 H new ATOM 1317 N VAL A 88 3.539 11.664 2.736 1.00 0.40 N ATOM 1318 CA VAL A 88 4.961 11.897 2.739 1.00 0.45 C ATOM 1319 C VAL A 88 5.458 11.706 1.311 1.00 0.36 C ATOM 1320 O VAL A 88 4.655 11.436 0.436 1.00 0.39 O ATOM 1321 CB VAL A 88 5.662 10.947 3.737 1.00 0.60 C ATOM 1322 CG1 VAL A 88 5.753 9.523 3.206 1.00 0.72 C ATOM 1323 CG2 VAL A 88 7.019 11.488 4.128 1.00 1.09 C ATOM 0 H VAL A 88 3.278 10.687 2.605 1.00 0.40 H new ATOM 0 HA VAL A 88 5.194 12.910 3.069 1.00 0.45 H new ATOM 0 HB VAL A 88 5.047 10.902 4.636 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.253 8.892 3.941 1.00 0.72 H new ATOM 0 HG12 VAL A 88 4.750 9.139 3.020 1.00 0.72 H new ATOM 0 HG13 VAL A 88 6.322 9.517 2.276 1.00 0.72 H new ATOM 0 HG21 VAL A 88 7.495 10.804 4.831 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.642 11.586 3.239 1.00 1.09 H new ATOM 0 HG23 VAL A 88 6.900 12.465 4.597 1.00 1.09 H new ATOM 1333 N THR A 89 6.733 11.898 1.046 1.00 0.31 N ATOM 1334 CA THR A 89 7.250 11.738 -0.297 1.00 0.28 C ATOM 1335 C THR A 89 7.166 10.274 -0.766 1.00 0.26 C ATOM 1336 O THR A 89 7.262 9.352 0.044 1.00 0.26 O ATOM 1337 CB THR A 89 8.705 12.241 -0.352 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.549 11.408 0.448 1.00 0.32 O ATOM 1339 CG2 THR A 89 8.782 13.668 0.171 1.00 0.35 C ATOM 0 H THR A 89 7.430 12.165 1.742 1.00 0.31 H new ATOM 0 HA THR A 89 6.635 12.331 -0.974 1.00 0.28 H new ATOM 0 HB THR A 89 9.041 12.209 -1.389 1.00 0.31 H new ATOM 0 HG1 THR A 89 9.856 11.910 1.232 1.00 0.32 H new ATOM 0 HG21 THR A 89 9.814 14.016 0.129 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.156 14.315 -0.443 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.432 13.697 1.203 1.00 0.35 H new ATOM 1347 N HIS A 90 6.964 10.072 -2.074 1.00 0.26 N ATOM 1348 CA HIS A 90 6.974 8.732 -2.682 1.00 0.25 C ATOM 1349 C HIS A 90 8.268 8.053 -2.337 1.00 0.27 C ATOM 1350 O HIS A 90 8.324 6.859 -2.055 1.00 0.30 O ATOM 1351 CB HIS A 90 6.884 8.842 -4.209 1.00 0.25 C ATOM 1352 CG HIS A 90 6.665 7.537 -4.927 1.00 0.26 C ATOM 1353 ND1 HIS A 90 6.696 7.421 -6.299 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.342 6.307 -4.463 1.00 0.27 C ATOM 1355 CE1 HIS A 90 6.396 6.184 -6.644 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.184 5.486 -5.549 1.00 0.32 N ATOM 0 H HIS A 90 6.790 10.826 -2.738 1.00 0.26 H new ATOM 0 HA HIS A 90 6.123 8.165 -2.305 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.069 9.520 -4.462 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.803 9.295 -4.581 1.00 0.25 H new ATOM 0 HD1 HIS A 90 6.917 8.176 -6.948 1.00 0.32 H new ATOM 0 HD2 HIS A 90 6.229 6.024 -3.427 1.00 0.27 H new ATOM 0 HE1 HIS A 90 6.335 5.808 -7.654 1.00 0.35 H new ATOM 1365 N ASP A 91 9.294 8.865 -2.352 1.00 0.31 N ATOM 1366 CA ASP A 91 10.660 8.388 -2.112 1.00 0.34 C ATOM 1367 C ASP A 91 10.792 7.907 -0.690 1.00 0.32 C ATOM 1368 O ASP A 91 11.527 6.958 -0.416 1.00 0.33 O ATOM 1369 CB ASP A 91 11.710 9.468 -2.367 1.00 0.41 C ATOM 1370 CG ASP A 91 11.919 9.763 -3.841 1.00 1.03 C ATOM 1371 OD1 ASP A 91 10.934 10.055 -4.540 1.00 1.45 O ATOM 1372 OD2 ASP A 91 13.076 9.692 -4.309 1.00 1.67 O ATOM 0 H ASP A 91 9.223 9.867 -2.528 1.00 0.31 H new ATOM 0 HA ASP A 91 10.839 7.573 -2.813 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.410 10.384 -1.859 1.00 0.41 H new ATOM 0 HB3 ASP A 91 12.657 9.155 -1.928 1.00 0.41 H new ATOM 1377 N GLN A 92 10.062 8.549 0.207 1.00 0.31 N ATOM 1378 CA GLN A 92 10.100 8.201 1.596 1.00 0.32 C ATOM 1379 C GLN A 92 9.678 6.759 1.759 1.00 0.29 C ATOM 1380 O GLN A 92 10.403 5.944 2.317 1.00 0.31 O ATOM 1381 CB GLN A 92 9.140 9.097 2.360 1.00 0.36 C ATOM 1382 CG GLN A 92 8.921 8.669 3.779 1.00 0.42 C ATOM 1383 CD GLN A 92 10.101 8.972 4.668 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.025 8.165 4.812 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.059 10.132 5.288 1.00 0.62 N ATOM 0 H GLN A 92 9.433 9.320 -0.017 1.00 0.31 H new ATOM 0 HA GLN A 92 11.111 8.332 1.983 1.00 0.32 H new ATOM 0 HB2 GLN A 92 9.524 10.117 2.352 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.181 9.113 1.842 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.037 9.170 4.173 1.00 0.42 H new ATOM 0 HG3 GLN A 92 8.718 7.598 3.804 1.00 0.42 H new ATOM 0 HE21 GLN A 92 9.273 10.764 5.135 1.00 0.62 H new ATOM 0 HE22 GLN A 92 10.812 10.399 5.921 1.00 0.62 H new ATOM 1394 N ALA A 93 8.519 6.443 1.200 1.00 0.27 N ATOM 1395 CA ALA A 93 7.952 5.119 1.356 1.00 0.28 C ATOM 1396 C ALA A 93 8.701 4.120 0.498 1.00 0.28 C ATOM 1397 O ALA A 93 8.903 2.983 0.901 1.00 0.33 O ATOM 1398 CB ALA A 93 6.477 5.123 1.010 1.00 0.33 C ATOM 0 H ALA A 93 7.958 7.084 0.638 1.00 0.27 H new ATOM 0 HA ALA A 93 8.054 4.822 2.400 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.071 4.119 1.134 1.00 0.33 H new ATOM 0 HB2 ALA A 93 5.950 5.811 1.671 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.347 5.442 -0.024 1.00 0.33 H new ATOM 1404 N ARG A 94 9.134 4.571 -0.677 1.00 0.27 N ATOM 1405 CA ARG A 94 9.851 3.715 -1.613 1.00 0.30 C ATOM 1406 C ARG A 94 11.143 3.207 -0.984 1.00 0.33 C ATOM 1407 O ARG A 94 11.472 2.022 -1.074 1.00 0.37 O ATOM 1408 CB ARG A 94 10.186 4.477 -2.896 1.00 0.34 C ATOM 1409 CG ARG A 94 10.632 3.580 -4.038 1.00 0.43 C ATOM 1410 CD ARG A 94 11.257 4.388 -5.163 1.00 0.57 C ATOM 1411 NE ARG A 94 12.436 5.116 -4.704 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.631 6.418 -4.888 1.00 1.41 C ATOM 1413 NH1 ARG A 94 11.789 7.129 -5.629 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.691 7.005 -4.352 1.00 2.10 N ATOM 0 H ARG A 94 8.999 5.528 -1.002 1.00 0.27 H new ATOM 0 HA ARG A 94 9.206 2.870 -1.856 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.310 5.044 -3.211 1.00 0.34 H new ATOM 0 HB3 ARG A 94 10.974 5.200 -2.684 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.351 2.849 -3.669 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.777 3.022 -4.420 1.00 0.43 H new ATOM 0 HD2 ARG A 94 11.534 3.723 -5.981 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.524 5.091 -5.559 1.00 0.57 H new ATOM 0 HE ARG A 94 13.158 4.591 -4.210 1.00 1.04 H new ATOM 0 HH11 ARG A 94 10.984 6.677 -6.063 1.00 1.57 H new ATOM 0 HH12 ARG A 94 11.947 8.128 -5.764 1.00 1.57 H new ATOM 0 HH21 ARG A 94 14.353 6.458 -3.801 1.00 2.10 H new ATOM 0 HH22 ARG A 94 13.845 8.004 -4.490 1.00 2.10 H new ATOM 1428 N LYS A 95 11.859 4.109 -0.324 1.00 0.33 N ATOM 1429 CA LYS A 95 13.132 3.786 0.254 1.00 0.40 C ATOM 1430 C LYS A 95 12.926 2.882 1.458 1.00 0.42 C ATOM 1431 O LYS A 95 13.596 1.856 1.601 1.00 0.46 O ATOM 1432 CB LYS A 95 13.830 5.092 0.638 1.00 0.46 C ATOM 1433 CG LYS A 95 15.290 4.959 1.042 1.00 0.64 C ATOM 1434 CD LYS A 95 15.448 4.525 2.492 1.00 0.56 C ATOM 1435 CE LYS A 95 16.045 3.124 2.613 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.284 2.959 1.800 1.00 0.96 N ATOM 0 H LYS A 95 11.565 5.075 -0.182 1.00 0.33 H new ATOM 0 HA LYS A 95 13.760 3.249 -0.457 1.00 0.40 H new ATOM 0 HB2 LYS A 95 13.766 5.780 -0.205 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.283 5.547 1.463 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.780 4.234 0.392 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.795 5.914 0.893 1.00 0.64 H new ATOM 0 HD2 LYS A 95 16.087 5.237 3.015 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.476 4.548 2.984 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.271 2.918 3.659 1.00 0.60 H new ATOM 0 HE3 LYS A 95 15.305 2.389 2.296 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 17.909 2.265 2.257 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.032 2.625 0.848 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.776 3.872 1.727 1.00 0.96 H new ATOM 1450 N ARG A 96 11.981 3.254 2.310 1.00 0.45 N ATOM 1451 CA ARG A 96 11.710 2.486 3.517 1.00 0.51 C ATOM 1452 C ARG A 96 11.167 1.106 3.166 1.00 0.57 C ATOM 1453 O ARG A 96 11.286 0.167 3.946 1.00 0.72 O ATOM 1454 CB ARG A 96 10.716 3.207 4.428 1.00 0.55 C ATOM 1455 CG ARG A 96 11.089 4.642 4.757 1.00 0.59 C ATOM 1456 CD ARG A 96 12.466 4.761 5.377 1.00 0.72 C ATOM 1457 NE ARG A 96 12.872 6.160 5.484 1.00 1.98 N ATOM 1458 CZ ARG A 96 14.066 6.565 5.901 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.962 5.687 6.337 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.354 7.859 5.914 1.00 3.57 N ATOM 0 H ARG A 96 11.392 4.078 2.189 1.00 0.45 H new ATOM 0 HA ARG A 96 12.654 2.378 4.051 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.735 3.200 3.952 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.623 2.647 5.358 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.052 5.240 3.847 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.350 5.057 5.442 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.465 4.302 6.366 1.00 0.72 H new ATOM 0 HD3 ARG A 96 13.189 4.214 4.773 1.00 0.72 H new ATOM 0 HE ARG A 96 12.193 6.874 5.221 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.736 4.693 6.353 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.877 6.007 6.655 1.00 1.58 H new ATOM 0 HH21 ARG A 96 13.660 8.539 5.605 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.270 8.174 6.234 1.00 3.57 H new ATOM 1474 N LEU A 97 10.555 1.002 1.997 1.00 0.52 N ATOM 1475 CA LEU A 97 9.971 -0.241 1.534 1.00 0.57 C ATOM 1476 C LEU A 97 11.040 -1.282 1.224 1.00 0.64 C ATOM 1477 O LEU A 97 11.075 -2.342 1.854 1.00 0.96 O ATOM 1478 CB LEU A 97 9.126 0.039 0.297 1.00 0.70 C ATOM 1479 CG LEU A 97 8.748 -1.181 -0.529 1.00 0.88 C ATOM 1480 CD1 LEU A 97 7.992 -2.197 0.309 1.00 1.45 C ATOM 1481 CD2 LEU A 97 7.922 -0.755 -1.726 1.00 1.65 C ATOM 0 H LEU A 97 10.451 1.779 1.344 1.00 0.52 H new ATOM 0 HA LEU A 97 9.344 -0.649 2.327 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.211 0.542 0.610 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.669 0.735 -0.343 1.00 0.70 H new ATOM 0 HG LEU A 97 9.663 -1.658 -0.880 1.00 0.88 H new ATOM 0 HD11 LEU A 97 7.735 -3.058 -0.308 1.00 1.45 H new ATOM 0 HD12 LEU A 97 8.618 -2.520 1.141 1.00 1.45 H new ATOM 0 HD13 LEU A 97 7.080 -1.743 0.696 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.654 -1.633 -2.314 1.00 1.65 H new ATOM 0 HD22 LEU A 97 7.015 -0.257 -1.383 1.00 1.65 H new ATOM 0 HD23 LEU A 97 8.502 -0.068 -2.343 1.00 1.65 H new ATOM 1493 N THR A 98 11.918 -0.975 0.274 1.00 0.54 N ATOM 1494 CA THR A 98 12.950 -1.917 -0.129 1.00 0.65 C ATOM 1495 C THR A 98 13.959 -2.066 0.996 1.00 0.74 C ATOM 1496 O THR A 98 14.531 -3.139 1.208 1.00 1.53 O ATOM 1497 CB THR A 98 13.659 -1.470 -1.423 1.00 0.92 C ATOM 1498 OG1 THR A 98 12.704 -0.896 -2.324 1.00 1.15 O ATOM 1499 CG2 THR A 98 14.343 -2.650 -2.104 1.00 1.12 C ATOM 0 H THR A 98 11.934 -0.087 -0.227 1.00 0.54 H new ATOM 0 HA THR A 98 12.476 -2.877 -0.333 1.00 0.65 H new ATOM 0 HB THR A 98 14.415 -0.730 -1.160 1.00 0.92 H new ATOM 0 HG1 THR A 98 13.158 -0.611 -3.144 1.00 1.15 H new ATOM 0 HG21 THR A 98 14.836 -2.309 -3.014 1.00 1.12 H new ATOM 0 HG22 THR A 98 15.084 -3.080 -1.430 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.599 -3.406 -2.356 1.00 1.12 H new ATOM 1507 N LYS A 99 14.150 -0.967 1.721 1.00 0.79 N ATOM 1508 CA LYS A 99 14.870 -0.972 2.969 1.00 1.12 C ATOM 1509 C LYS A 99 16.304 -1.424 2.764 1.00 1.36 C ATOM 1510 O LYS A 99 17.138 -0.686 2.241 1.00 2.28 O ATOM 1511 CB LYS A 99 14.150 -1.922 3.905 1.00 1.29 C ATOM 1512 CG LYS A 99 13.628 -1.306 5.186 1.00 1.18 C ATOM 1513 CD LYS A 99 12.870 -2.337 6.018 1.00 1.56 C ATOM 1514 CE LYS A 99 11.929 -3.168 5.149 1.00 1.98 C ATOM 1515 NZ LYS A 99 10.833 -2.357 4.552 1.00 2.72 N ATOM 0 H LYS A 99 13.803 -0.047 1.448 1.00 0.79 H new ATOM 0 HA LYS A 99 14.903 0.034 3.388 1.00 1.12 H new ATOM 0 HB2 LYS A 99 13.312 -2.367 3.369 1.00 1.29 H new ATOM 0 HB3 LYS A 99 14.830 -2.734 4.164 1.00 1.29 H new ATOM 0 HG2 LYS A 99 14.459 -0.905 5.766 1.00 1.18 H new ATOM 0 HG3 LYS A 99 12.971 -0.469 4.950 1.00 1.18 H new ATOM 0 HD2 LYS A 99 13.579 -2.994 6.521 1.00 1.56 H new ATOM 0 HD3 LYS A 99 12.298 -1.831 6.796 1.00 1.56 H new ATOM 0 HE2 LYS A 99 12.501 -3.642 4.351 1.00 1.98 H new ATOM 0 HE3 LYS A 99 11.497 -3.968 5.750 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 9.937 -2.577 5.032 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 11.048 -1.346 4.666 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 10.747 -2.581 3.540 1.00 2.72 H new ATOM 1529 N ARG A 100 16.565 -2.648 3.187 1.00 1.04 N ATOM 1530 CA ARG A 100 17.823 -3.310 2.932 1.00 1.17 C ATOM 1531 C ARG A 100 17.535 -4.782 2.704 1.00 1.12 C ATOM 1532 O ARG A 100 18.439 -5.613 2.718 1.00 1.39 O ATOM 1533 CB ARG A 100 18.795 -3.163 4.109 1.00 1.55 C ATOM 1534 CG ARG A 100 18.944 -1.747 4.630 1.00 2.10 C ATOM 1535 CD ARG A 100 19.959 -1.692 5.755 1.00 2.50 C ATOM 1536 NE ARG A 100 19.640 -2.627 6.838 1.00 3.10 N ATOM 1537 CZ ARG A 100 20.323 -2.705 7.977 1.00 3.59 C ATOM 1538 NH1 ARG A 100 21.341 -1.877 8.201 1.00 3.60 N ATOM 1539 NH2 ARG A 100 19.982 -3.602 8.893 1.00 4.38 N ATOM 0 H ARG A 100 15.902 -3.211 3.721 1.00 1.04 H new ATOM 0 HA ARG A 100 18.292 -2.853 2.060 1.00 1.17 H new ATOM 0 HB2 ARG A 100 18.457 -3.803 4.924 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.775 -3.528 3.802 1.00 1.55 H new ATOM 0 HG2 ARG A 100 19.256 -1.088 3.820 1.00 2.10 H new ATOM 0 HG3 ARG A 100 17.980 -1.382 4.985 1.00 2.10 H new ATOM 0 HD2 ARG A 100 20.949 -1.921 5.360 1.00 2.50 H new ATOM 0 HD3 ARG A 100 20.002 -0.678 6.154 1.00 2.50 H new ATOM 0 HE ARG A 100 18.847 -3.255 6.711 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.597 -1.183 7.499 1.00 3.60 H new ATOM 0 HH12 ARG A 100 21.865 -1.937 9.074 1.00 3.60 H new ATOM 0 HH21 ARG A 100 19.197 -4.231 8.724 1.00 4.38 H new ATOM 0 HH22 ARG A 100 20.505 -3.663 9.767 1.00 4.38 H new ATOM 1553 N SER A 101 16.248 -5.070 2.484 1.00 1.05 N ATOM 1554 CA SER A 101 15.730 -6.435 2.374 1.00 1.37 C ATOM 1555 C SER A 101 15.682 -7.118 3.748 1.00 1.22 C ATOM 1556 O SER A 101 16.016 -8.298 3.877 1.00 1.64 O ATOM 1557 CB SER A 101 16.561 -7.263 1.384 1.00 1.90 C ATOM 1558 OG SER A 101 16.655 -6.610 0.126 1.00 2.51 O ATOM 0 H SER A 101 15.530 -4.353 2.376 1.00 1.05 H new ATOM 0 HA SER A 101 14.712 -6.374 1.991 1.00 1.37 H new ATOM 0 HB2 SER A 101 17.560 -7.425 1.789 1.00 1.90 H new ATOM 0 HB3 SER A 101 16.106 -8.245 1.255 1.00 1.90 H new ATOM 0 HG SER A 101 17.190 -7.156 -0.487 1.00 2.51 H new ATOM 1564 N GLU A 102 15.243 -6.365 4.763 1.00 1.06 N ATOM 1565 CA GLU A 102 15.049 -6.909 6.105 1.00 1.19 C ATOM 1566 C GLU A 102 14.081 -8.087 6.050 1.00 0.93 C ATOM 1567 O GLU A 102 13.224 -8.149 5.168 1.00 1.34 O ATOM 1568 CB GLU A 102 14.529 -5.830 7.061 1.00 1.63 C ATOM 1569 CG GLU A 102 15.418 -4.593 7.143 1.00 2.12 C ATOM 1570 CD GLU A 102 16.828 -4.891 7.623 1.00 2.70 C ATOM 1571 OE1 GLU A 102 16.979 -5.393 8.757 1.00 3.40 O ATOM 1572 OE2 GLU A 102 17.788 -4.637 6.865 1.00 2.95 O ATOM 0 H GLU A 102 15.016 -5.374 4.676 1.00 1.06 H new ATOM 0 HA GLU A 102 16.010 -7.257 6.483 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.531 -5.527 6.743 1.00 1.63 H new ATOM 0 HB3 GLU A 102 14.429 -6.260 8.058 1.00 1.63 H new ATOM 0 HG2 GLU A 102 15.469 -4.126 6.159 1.00 2.12 H new ATOM 0 HG3 GLU A 102 14.959 -3.869 7.816 1.00 2.12 H new ATOM 1579 N GLU A 103 14.200 -8.991 7.015 1.00 0.74 N ATOM 1580 CA GLU A 103 13.591 -10.315 6.925 1.00 0.68 C ATOM 1581 C GLU A 103 12.071 -10.287 6.757 1.00 0.54 C ATOM 1582 O GLU A 103 11.495 -11.227 6.214 1.00 0.61 O ATOM 1583 CB GLU A 103 13.946 -11.151 8.150 1.00 0.95 C ATOM 1584 CG GLU A 103 13.129 -10.823 9.390 1.00 1.37 C ATOM 1585 CD GLU A 103 13.050 -11.997 10.338 1.00 2.16 C ATOM 1586 OE1 GLU A 103 13.333 -13.130 9.914 1.00 2.58 O ATOM 1587 OE2 GLU A 103 12.709 -11.782 11.522 1.00 2.68 O ATOM 0 H GLU A 103 14.718 -8.829 7.878 1.00 0.74 H new ATOM 0 HA GLU A 103 14.002 -10.766 6.022 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.810 -12.205 7.908 1.00 0.95 H new ATOM 0 HB3 GLU A 103 15.003 -11.010 8.378 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.574 -9.971 9.903 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.123 -10.527 9.094 1.00 1.37 H new ATOM 1594 N VAL A 104 11.424 -9.226 7.204 1.00 0.40 N ATOM 1595 CA VAL A 104 9.973 -9.167 7.159 1.00 0.33 C ATOM 1596 C VAL A 104 9.510 -7.738 6.913 1.00 0.29 C ATOM 1597 O VAL A 104 10.197 -6.784 7.277 1.00 0.34 O ATOM 1598 CB VAL A 104 9.348 -9.741 8.453 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.840 -8.988 9.679 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.828 -9.730 8.382 1.00 0.37 C ATOM 0 H VAL A 104 11.874 -8.400 7.599 1.00 0.40 H new ATOM 0 HA VAL A 104 9.631 -9.787 6.330 1.00 0.33 H new ATOM 0 HB VAL A 104 9.670 -10.778 8.544 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.385 -9.413 10.574 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.924 -9.074 9.748 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.564 -7.937 9.595 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.418 -10.139 9.305 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.477 -8.706 8.251 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.499 -10.337 7.538 1.00 0.37 H new ATOM 1610 N VAL A 105 8.348 -7.585 6.295 1.00 0.28 N ATOM 1611 CA VAL A 105 7.923 -6.289 5.817 1.00 0.28 C ATOM 1612 C VAL A 105 6.503 -5.985 6.187 1.00 0.26 C ATOM 1613 O VAL A 105 5.563 -6.695 5.830 1.00 0.26 O ATOM 1614 CB VAL A 105 8.108 -6.142 4.313 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.409 -4.893 3.802 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.581 -6.085 4.027 1.00 0.46 C ATOM 0 H VAL A 105 7.689 -8.342 6.116 1.00 0.28 H new ATOM 0 HA VAL A 105 8.568 -5.565 6.314 1.00 0.28 H new ATOM 0 HB VAL A 105 7.662 -6.993 3.799 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.555 -4.809 2.725 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.343 -4.958 4.020 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.827 -4.015 4.294 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.739 -5.980 2.954 1.00 0.46 H new ATOM 0 HG22 VAL A 105 10.019 -5.231 4.544 1.00 0.46 H new ATOM 0 HG23 VAL A 105 10.055 -7.003 4.375 1.00 0.46 H new ATOM 1626 N ARG A 106 6.389 -4.936 6.953 1.00 0.29 N ATOM 1627 CA ARG A 106 5.139 -4.493 7.482 1.00 0.28 C ATOM 1628 C ARG A 106 4.613 -3.327 6.678 1.00 0.26 C ATOM 1629 O ARG A 106 5.333 -2.369 6.418 1.00 0.32 O ATOM 1630 CB ARG A 106 5.341 -4.135 8.937 1.00 0.35 C ATOM 1631 CG ARG A 106 5.625 -5.351 9.805 1.00 0.43 C ATOM 1632 CD ARG A 106 6.974 -6.012 9.516 1.00 0.54 C ATOM 1633 NE ARG A 106 7.459 -6.748 10.682 1.00 0.81 N ATOM 1634 CZ ARG A 106 6.861 -7.843 11.159 1.00 1.26 C ATOM 1635 NH1 ARG A 106 5.778 -8.318 10.562 1.00 1.76 N ATOM 1636 NH2 ARG A 106 7.337 -8.463 12.227 1.00 1.46 N ATOM 0 H ARG A 106 7.181 -4.357 7.230 1.00 0.29 H new ATOM 0 HA ARG A 106 4.391 -5.283 7.414 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.169 -3.431 9.022 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.451 -3.627 9.309 1.00 0.35 H new ATOM 0 HG2 ARG A 106 5.593 -5.053 10.853 1.00 0.43 H new ATOM 0 HG3 ARG A 106 4.832 -6.084 9.658 1.00 0.43 H new ATOM 0 HD2 ARG A 106 6.876 -6.690 8.669 1.00 0.54 H new ATOM 0 HD3 ARG A 106 7.702 -5.252 9.233 1.00 0.54 H new ATOM 0 HE ARG A 106 8.296 -6.408 11.155 1.00 0.81 H new ATOM 0 HH11 ARG A 106 5.402 -7.848 9.739 1.00 1.76 H new ATOM 0 HH12 ARG A 106 5.321 -9.154 10.925 1.00 1.76 H new ATOM 0 HH21 ARG A 106 8.170 -8.105 12.696 1.00 1.46 H new ATOM 0 HH22 ARG A 106 6.871 -9.298 12.582 1.00 1.46 H new ATOM 1650 N LEU A 107 3.375 -3.412 6.284 1.00 0.24 N ATOM 1651 CA LEU A 107 2.759 -2.369 5.491 1.00 0.24 C ATOM 1652 C LEU A 107 1.412 -2.008 6.085 1.00 0.21 C ATOM 1653 O LEU A 107 0.615 -2.892 6.403 1.00 0.28 O ATOM 1654 CB LEU A 107 2.586 -2.854 4.050 1.00 0.37 C ATOM 1655 CG LEU A 107 2.077 -1.813 3.058 1.00 0.57 C ATOM 1656 CD1 LEU A 107 3.134 -0.747 2.826 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.689 -2.477 1.747 1.00 1.12 C ATOM 0 H LEU A 107 2.761 -4.198 6.498 1.00 0.24 H new ATOM 0 HA LEU A 107 3.396 -1.485 5.493 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.546 -3.229 3.695 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.895 -3.697 4.050 1.00 0.37 H new ATOM 0 HG LEU A 107 1.191 -1.335 3.476 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.758 -0.010 2.116 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.368 -0.255 3.770 1.00 0.98 H new ATOM 0 HD13 LEU A 107 4.036 -1.210 2.425 1.00 0.98 H new ATOM 0 HD21 LEU A 107 1.328 -1.721 1.049 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.559 -2.978 1.321 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.902 -3.209 1.929 1.00 1.12 H new ATOM 1669 N LEU A 108 1.147 -0.724 6.261 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.160 -0.308 6.658 1.00 0.15 C ATOM 1671 C LEU A 108 -0.778 0.279 5.434 1.00 0.15 C ATOM 1672 O LEU A 108 -0.144 1.070 4.751 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.080 0.705 7.790 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.408 1.231 8.318 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.373 0.079 8.559 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.168 2.015 9.604 1.00 0.26 C ATOM 0 H LEU A 108 1.821 0.031 6.133 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.757 -1.136 7.040 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.462 0.250 8.619 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.513 1.554 7.449 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.855 1.895 7.578 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.318 0.469 8.936 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.547 -0.452 7.623 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.946 -0.607 9.291 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.118 2.392 9.983 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.714 1.362 10.349 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.501 2.852 9.400 1.00 0.26 H new ATOM 1688 N VAL A 109 -1.959 -0.149 5.101 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.546 0.269 3.871 1.00 0.21 C ATOM 1690 C VAL A 109 -4.012 0.515 4.053 1.00 0.22 C ATOM 1691 O VAL A 109 -4.657 -0.132 4.852 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.296 -0.789 2.778 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -3.563 -1.536 2.389 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -1.634 -0.153 1.579 1.00 0.77 C ATOM 0 H VAL A 109 -2.529 -0.783 5.662 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.082 1.203 3.555 1.00 0.21 H new ATOM 0 HB VAL A 109 -1.620 -1.538 3.192 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.331 -2.269 1.616 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -3.967 -2.046 3.263 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.300 -0.829 2.008 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -1.463 -0.910 0.814 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -2.280 0.628 1.178 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -0.681 0.283 1.878 1.00 0.77 H new ATOM 1704 N THR A 110 -4.517 1.465 3.335 1.00 0.22 N ATOM 1705 CA THR A 110 -5.937 1.685 3.311 1.00 0.25 C ATOM 1706 C THR A 110 -6.589 0.922 2.170 1.00 0.26 C ATOM 1707 O THR A 110 -6.202 1.047 1.005 1.00 0.30 O ATOM 1708 CB THR A 110 -6.259 3.162 3.166 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.155 3.956 3.609 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.475 3.485 3.988 1.00 0.33 C ATOM 0 H THR A 110 -3.973 2.104 2.756 1.00 0.22 H new ATOM 0 HA THR A 110 -6.334 1.322 4.259 1.00 0.25 H new ATOM 0 HB THR A 110 -6.452 3.385 2.117 1.00 0.30 H new ATOM 0 HG1 THR A 110 -5.360 4.340 4.487 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.711 4.544 3.888 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.319 2.891 3.638 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.278 3.255 5.035 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.580 0.131 2.543 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.233 -0.797 1.656 1.00 0.37 C ATOM 1720 C ARG A 111 -9.667 -0.363 1.372 1.00 0.42 C ATOM 1721 O ARG A 111 -10.335 0.217 2.235 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.207 -2.172 2.315 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.243 -3.134 1.789 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.173 -4.458 2.523 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.331 -5.301 2.233 1.00 1.06 N ATOM 1726 CZ ARG A 111 -10.755 -6.280 3.029 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -10.089 -6.579 4.141 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -11.854 -6.957 2.717 1.00 2.01 N ATOM 0 H ARG A 111 -7.956 0.121 3.491 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.711 -0.827 0.699 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.218 -2.610 2.176 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -8.353 -2.050 3.388 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.237 -2.702 1.903 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.087 -3.296 0.723 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.261 -4.983 2.239 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.115 -4.276 3.596 1.00 0.58 H new ATOM 0 HE ARG A 111 -10.845 -5.129 1.369 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -9.248 -6.057 4.388 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -10.419 -7.330 4.747 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -12.371 -6.726 1.869 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -12.181 -7.708 3.326 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.126 -0.653 0.159 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.479 -0.313 -0.253 1.00 0.71 C ATOM 1744 C GLN A 112 -12.186 -1.516 -0.880 1.00 0.89 C ATOM 1745 O GLN A 112 -12.550 -2.459 -0.179 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.491 0.889 -1.207 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.247 1.016 -2.064 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.072 1.614 -1.306 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.248 2.446 -0.422 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -7.867 1.183 -1.632 1.00 0.66 N ATOM 0 H GLN A 112 -9.576 -1.125 -0.558 1.00 0.56 H new ATOM 0 HA GLN A 112 -12.030 -0.029 0.643 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.361 0.812 -1.859 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -11.610 1.801 -0.622 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -9.968 0.032 -2.441 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.470 1.638 -2.931 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -7.756 0.490 -2.372 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.047 1.543 -1.143 1.00 0.66 H new ATOM 1759 N SER A 113 -12.338 -1.509 -2.199 1.00 0.79 N ATOM 1760 CA SER A 113 -13.164 -2.510 -2.866 1.00 0.96 C ATOM 1761 C SER A 113 -12.488 -3.054 -4.122 1.00 0.89 C ATOM 1762 O SER A 113 -13.143 -3.356 -5.118 1.00 1.18 O ATOM 1763 CB SER A 113 -14.518 -1.886 -3.213 1.00 1.25 C ATOM 1764 OG SER A 113 -15.458 -2.867 -3.615 1.00 1.62 O ATOM 0 H SER A 113 -11.905 -0.829 -2.823 1.00 0.79 H new ATOM 0 HA SER A 113 -13.306 -3.352 -2.189 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.903 -1.346 -2.348 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.389 -1.156 -4.012 1.00 1.25 H new ATOM 0 HG SER A 113 -15.063 -3.433 -4.310 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.178 -3.198 -4.065 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.427 -3.700 -5.210 1.00 0.94 C ATOM 1772 C LEU A 114 -9.885 -5.093 -4.919 1.00 1.13 C ATOM 1773 O LEU A 114 -9.471 -5.820 -5.819 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.275 -2.754 -5.520 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.535 -1.288 -5.181 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -8.260 -0.493 -5.345 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -10.656 -0.718 -6.040 1.00 1.23 C ATOM 0 H LEU A 114 -10.611 -2.978 -3.246 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.093 -3.757 -6.071 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.394 -3.087 -4.972 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -9.038 -2.829 -6.581 1.00 0.90 H new ATOM 0 HG LEU A 114 -9.858 -1.219 -4.142 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -8.449 0.553 -5.102 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -7.496 -0.888 -4.676 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -7.914 -0.569 -6.376 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -10.820 0.327 -5.778 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.380 -0.789 -7.092 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -11.571 -1.284 -5.866 1.00 1.23 H new ATOM 1789 N GLN A 115 -9.866 -5.420 -3.633 1.00 1.02 N ATOM 1790 CA GLN A 115 -9.424 -6.729 -3.143 1.00 1.26 C ATOM 1791 C GLN A 115 -10.042 -7.881 -3.920 1.00 1.27 C ATOM 1792 O GLN A 115 -11.263 -8.005 -4.014 1.00 1.34 O ATOM 1793 CB GLN A 115 -9.767 -6.878 -1.666 1.00 1.55 C ATOM 1794 CG GLN A 115 -8.801 -6.158 -0.749 1.00 2.26 C ATOM 1795 CD GLN A 115 -7.411 -6.768 -0.770 1.00 2.88 C ATOM 1796 OE1 GLN A 115 -6.401 -5.943 -0.557 1.00 3.53 O flip ATOM 1797 NE2 GLN A 115 -7.250 -7.966 -1.000 1.00 3.18 N flip ATOM 0 H GLN A 115 -10.158 -4.783 -2.892 1.00 1.02 H new ATOM 0 HA GLN A 115 -8.344 -6.773 -3.287 1.00 1.26 H new ATOM 0 HB2 GLN A 115 -10.773 -6.496 -1.494 1.00 1.55 H new ATOM 0 HB3 GLN A 115 -9.780 -7.937 -1.409 1.00 1.55 H new ATOM 0 HG2 GLN A 115 -8.738 -5.110 -1.044 1.00 2.26 H new ATOM 0 HG3 GLN A 115 -9.188 -6.180 0.270 1.00 2.26 H new ATOM 0 HE21 GLN A 115 -8.058 -8.568 -1.159 1.00 3.18 H new ATOM 0 HE22 GLN A 115 -6.309 -8.357 -1.032 1.00 3.18 H new ATOM 1806 N LYS A 116 -9.181 -8.738 -4.445 1.00 1.61 N ATOM 1807 CA LYS A 116 -9.618 -9.871 -5.247 1.00 1.82 C ATOM 1808 C LYS A 116 -9.640 -11.149 -4.405 1.00 2.23 C ATOM 1809 O LYS A 116 -8.786 -12.026 -4.544 1.00 2.85 O ATOM 1810 CB LYS A 116 -8.739 -10.042 -6.504 1.00 2.03 C ATOM 1811 CG LYS A 116 -7.263 -10.356 -6.243 1.00 2.25 C ATOM 1812 CD LYS A 116 -6.491 -9.156 -5.719 1.00 2.52 C ATOM 1813 CE LYS A 116 -5.060 -9.522 -5.346 1.00 3.01 C ATOM 1814 NZ LYS A 116 -5.000 -10.489 -4.212 1.00 3.60 N ATOM 0 H LYS A 116 -8.170 -8.670 -4.330 1.00 1.61 H new ATOM 0 HA LYS A 116 -10.634 -9.672 -5.588 1.00 1.82 H new ATOM 0 HB2 LYS A 116 -9.160 -10.842 -7.113 1.00 2.03 H new ATOM 0 HB3 LYS A 116 -8.798 -9.127 -7.094 1.00 2.03 H new ATOM 0 HG2 LYS A 116 -7.191 -11.171 -5.523 1.00 2.25 H new ATOM 0 HG3 LYS A 116 -6.801 -10.705 -7.167 1.00 2.25 H new ATOM 0 HD2 LYS A 116 -6.480 -8.372 -6.476 1.00 2.52 H new ATOM 0 HD3 LYS A 116 -7.001 -8.749 -4.846 1.00 2.52 H new ATOM 0 HE2 LYS A 116 -4.559 -9.952 -6.214 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -4.514 -8.617 -5.078 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -4.034 -10.515 -3.828 1.00 3.60 H new ATOM 0 HZ2 LYS A 116 -5.661 -10.191 -3.466 1.00 3.60 H new ATOM 0 HZ3 LYS A 116 -5.264 -11.437 -4.550 1.00 3.60 H new ATOM 1828 N ALA A 117 -10.625 -11.218 -3.513 1.00 2.34 N ATOM 1829 CA ALA A 117 -10.800 -12.355 -2.599 1.00 2.83 C ATOM 1830 C ALA A 117 -9.508 -12.675 -1.844 1.00 3.08 C ATOM 1831 O ALA A 117 -8.759 -13.576 -2.222 1.00 3.56 O ATOM 1832 CB ALA A 117 -11.301 -13.582 -3.351 1.00 3.37 C ATOM 0 H ALA A 117 -11.328 -10.488 -3.400 1.00 2.34 H new ATOM 0 HA ALA A 117 -11.551 -12.070 -1.862 1.00 2.83 H new ATOM 0 HB1 ALA A 117 -11.423 -14.411 -2.654 1.00 3.37 H new ATOM 0 HB2 ALA A 117 -12.260 -13.356 -3.818 1.00 3.37 H new ATOM 0 HB3 ALA A 117 -10.579 -13.858 -4.120 1.00 3.37 H new ATOM 1838 N VAL A 118 -9.247 -11.929 -0.779 1.00 3.17 N ATOM 1839 CA VAL A 118 -8.021 -12.101 -0.018 1.00 3.87 C ATOM 1840 C VAL A 118 -8.218 -13.118 1.102 1.00 4.45 C ATOM 1841 O VAL A 118 -9.272 -13.160 1.741 1.00 4.99 O ATOM 1842 CB VAL A 118 -7.517 -10.760 0.565 1.00 4.04 C ATOM 1843 CG1 VAL A 118 -8.546 -10.138 1.500 1.00 4.19 C ATOM 1844 CG2 VAL A 118 -6.186 -10.948 1.280 1.00 4.70 C ATOM 0 H VAL A 118 -9.867 -11.201 -0.425 1.00 3.17 H new ATOM 0 HA VAL A 118 -7.263 -12.475 -0.706 1.00 3.87 H new ATOM 0 HB VAL A 118 -7.367 -10.073 -0.268 1.00 4.04 H new ATOM 0 HG11 VAL A 118 -8.160 -9.197 1.892 1.00 4.19 H new ATOM 0 HG12 VAL A 118 -9.469 -9.951 0.952 1.00 4.19 H new ATOM 0 HG13 VAL A 118 -8.746 -10.820 2.326 1.00 4.19 H new ATOM 0 HG21 VAL A 118 -5.851 -9.992 1.682 1.00 4.70 H new ATOM 0 HG22 VAL A 118 -6.308 -11.661 2.095 1.00 4.70 H new ATOM 0 HG23 VAL A 118 -5.445 -11.325 0.576 1.00 4.70 H new ATOM 1854 N GLN A 119 -7.203 -13.945 1.309 1.00 4.69 N ATOM 1855 CA GLN A 119 -7.215 -14.942 2.368 1.00 5.46 C ATOM 1856 C GLN A 119 -7.105 -14.275 3.741 1.00 5.68 C ATOM 1857 O GLN A 119 -6.173 -13.515 4.008 1.00 6.25 O ATOM 1858 CB GLN A 119 -6.072 -15.946 2.172 1.00 6.13 C ATOM 1859 CG GLN A 119 -4.687 -15.309 2.159 1.00 6.63 C ATOM 1860 CD GLN A 119 -3.578 -16.319 1.951 1.00 7.30 C ATOM 1861 OE1 GLN A 119 -3.704 -17.484 2.325 1.00 7.63 O ATOM 1862 NE2 GLN A 119 -2.477 -15.874 1.369 1.00 7.77 N ATOM 0 H GLN A 119 -6.351 -13.943 0.749 1.00 4.69 H new ATOM 0 HA GLN A 119 -8.163 -15.478 2.321 1.00 5.46 H new ATOM 0 HB2 GLN A 119 -6.113 -16.688 2.969 1.00 6.13 H new ATOM 0 HB3 GLN A 119 -6.226 -16.478 1.233 1.00 6.13 H new ATOM 0 HG2 GLN A 119 -4.644 -14.561 1.368 1.00 6.63 H new ATOM 0 HG3 GLN A 119 -4.524 -14.786 3.101 1.00 6.63 H new ATOM 0 HE21 GLN A 119 -2.414 -14.900 1.074 1.00 7.77 H new ATOM 0 HE22 GLN A 119 -1.691 -16.505 1.215 1.00 7.77 H new ATOM 1871 N GLN A 120 -8.067 -14.551 4.602 1.00 5.58 N ATOM 1872 CA GLN A 120 -8.069 -13.997 5.947 1.00 6.13 C ATOM 1873 C GLN A 120 -8.002 -15.119 6.969 1.00 6.54 C ATOM 1874 O GLN A 120 -7.198 -15.082 7.900 1.00 6.55 O ATOM 1875 CB GLN A 120 -9.326 -13.155 6.181 1.00 6.11 C ATOM 1876 CG GLN A 120 -9.504 -12.044 5.162 1.00 5.63 C ATOM 1877 CD GLN A 120 -10.746 -11.208 5.407 1.00 5.87 C ATOM 1878 OE1 GLN A 120 -11.172 -11.015 6.546 1.00 6.60 O ATOM 1879 NE2 GLN A 120 -11.335 -10.712 4.328 1.00 5.58 N ATOM 0 H GLN A 120 -8.860 -15.157 4.395 1.00 5.58 H new ATOM 0 HA GLN A 120 -7.195 -13.355 6.059 1.00 6.13 H new ATOM 0 HB2 GLN A 120 -10.200 -13.805 6.155 1.00 6.11 H new ATOM 0 HB3 GLN A 120 -9.282 -12.719 7.179 1.00 6.11 H new ATOM 0 HG2 GLN A 120 -8.627 -11.397 5.182 1.00 5.63 H new ATOM 0 HG3 GLN A 120 -9.557 -12.479 4.164 1.00 5.63 H new ATOM 0 HE21 GLN A 120 -10.946 -10.898 3.404 1.00 5.58 H new ATOM 0 HE22 GLN A 120 -12.177 -10.144 4.422 1.00 5.58 H new ATOM 1888 N SER A 121 -8.838 -16.121 6.762 1.00 7.13 N ATOM 1889 CA SER A 121 -8.922 -17.259 7.657 1.00 7.72 C ATOM 1890 C SER A 121 -8.031 -18.393 7.149 1.00 8.45 C ATOM 1891 O SER A 121 -7.871 -18.566 5.938 1.00 8.94 O ATOM 1892 CB SER A 121 -10.381 -17.720 7.744 1.00 8.20 C ATOM 1893 OG SER A 121 -10.533 -18.849 8.591 1.00 8.19 O ATOM 0 H SER A 121 -9.477 -16.168 5.969 1.00 7.13 H new ATOM 0 HA SER A 121 -8.576 -16.972 8.650 1.00 7.72 H new ATOM 0 HB2 SER A 121 -10.998 -16.902 8.116 1.00 8.20 H new ATOM 0 HB3 SER A 121 -10.744 -17.964 6.746 1.00 8.20 H new ATOM 0 HG SER A 121 -11.477 -19.111 8.621 1.00 8.19 H new ATOM 1899 N MET A 122 -7.440 -19.141 8.072 1.00 8.75 N ATOM 1900 CA MET A 122 -6.619 -20.292 7.714 1.00 9.65 C ATOM 1901 C MET A 122 -6.894 -21.447 8.673 1.00 10.25 C ATOM 1902 O MET A 122 -7.758 -21.341 9.546 1.00 10.41 O ATOM 1903 CB MET A 122 -5.127 -19.931 7.715 1.00 10.15 C ATOM 1904 CG MET A 122 -4.564 -19.606 9.087 1.00 10.49 C ATOM 1905 SD MET A 122 -2.792 -19.276 9.045 1.00 11.41 S ATOM 1906 CE MET A 122 -2.477 -18.973 10.782 1.00 12.10 C ATOM 0 H MET A 122 -7.514 -18.972 9.075 1.00 8.75 H new ATOM 0 HA MET A 122 -6.884 -20.601 6.703 1.00 9.65 H new ATOM 0 HB2 MET A 122 -4.564 -20.763 7.292 1.00 10.15 H new ATOM 0 HB3 MET A 122 -4.972 -19.074 7.059 1.00 10.15 H new ATOM 0 HG2 MET A 122 -5.083 -18.737 9.493 1.00 10.49 H new ATOM 0 HG3 MET A 122 -4.759 -20.438 9.763 1.00 10.49 H new ATOM 0 HE1 MET A 122 -1.419 -18.752 10.927 1.00 12.10 H new ATOM 0 HE2 MET A 122 -3.074 -18.125 11.118 1.00 12.10 H new ATOM 0 HE3 MET A 122 -2.746 -19.857 11.360 1.00 12.10 H new ATOM 1916 N LEU A 123 -6.146 -22.534 8.536 1.00 10.78 N ATOM 1917 CA LEU A 123 -6.439 -23.751 9.280 1.00 11.56 C ATOM 1918 C LEU A 123 -5.319 -24.073 10.271 1.00 12.24 C ATOM 1919 O LEU A 123 -4.275 -23.412 10.291 1.00 12.56 O ATOM 1920 CB LEU A 123 -6.644 -24.915 8.299 1.00 11.96 C ATOM 1921 CG LEU A 123 -7.263 -26.182 8.895 1.00 12.24 C ATOM 1922 CD1 LEU A 123 -8.648 -25.888 9.450 1.00 12.82 C ATOM 1923 CD2 LEU A 123 -7.336 -27.282 7.850 1.00 12.37 C ATOM 0 H LEU A 123 -5.336 -22.598 7.920 1.00 10.78 H new ATOM 0 HA LEU A 123 -7.353 -23.599 9.854 1.00 11.56 H new ATOM 0 HB2 LEU A 123 -7.280 -24.571 7.483 1.00 11.96 H new ATOM 0 HB3 LEU A 123 -5.679 -25.174 7.864 1.00 11.96 H new ATOM 0 HG LEU A 123 -6.627 -26.522 9.712 1.00 12.24 H new ATOM 0 HD11 LEU A 123 -9.073 -26.800 9.870 1.00 12.82 H new ATOM 0 HD12 LEU A 123 -8.574 -25.130 10.230 1.00 12.82 H new ATOM 0 HD13 LEU A 123 -9.291 -25.523 8.649 1.00 12.82 H new ATOM 0 HD21 LEU A 123 -7.779 -28.175 8.292 1.00 12.37 H new ATOM 0 HD22 LEU A 123 -7.950 -26.949 7.013 1.00 12.37 H new ATOM 0 HD23 LEU A 123 -6.332 -27.513 7.494 1.00 12.37 H new ATOM 1935 N SER A 124 -5.548 -25.088 11.090 1.00 12.64 N ATOM 1936 CA SER A 124 -4.581 -25.523 12.077 1.00 13.47 C ATOM 1937 C SER A 124 -4.446 -27.037 12.020 1.00 14.22 C ATOM 1938 O SER A 124 -5.430 -27.740 12.335 1.00 14.64 O ATOM 1939 CB SER A 124 -5.010 -25.077 13.477 1.00 13.50 C ATOM 1940 OG SER A 124 -5.232 -23.674 13.518 1.00 13.01 O ATOM 1941 OXT SER A 124 -3.370 -27.517 11.622 1.00 14.49 O ATOM 0 H SER A 124 -6.411 -25.631 11.086 1.00 12.64 H new ATOM 0 HA SER A 124 -3.615 -25.069 11.857 1.00 13.47 H new ATOM 0 HB2 SER A 124 -5.920 -25.602 13.767 1.00 13.50 H new ATOM 0 HB3 SER A 124 -4.242 -25.349 14.201 1.00 13.50 H new ATOM 0 HG SER A 124 -5.507 -23.413 14.422 1.00 13.01 H new TER 1947 SER A 124