USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1394 hydrogens (12 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 128 MET CE :methyl -105:sc= -5.28! (180deg=-8.06!) USER MOD Set 1.2: A 149 LYS NZ :NH3+ -96:sc= 1.28 (180deg=-0.394) USER MOD Set 2.1: A 77 GLN : amide:sc= -0.646 X(o=-0.4,f=-0.085) USER MOD Set 2.2: A 107 ASN : amide:sc= 0.247 X(o=-0.4,f=-0.085) USER MOD Set 3.1: A 65 HIS : no HE2:sc= 0.5 K(o=1.8,f=-5.3!) USER MOD Set 3.2: A 70 THR OG1 : rot -136:sc= 1.33 USER MOD Set 4.1: A 42 THR OG1 : rot 90:sc= -1.14 USER MOD Set 4.2: A 44 HIS : no HE2:sc= -0.257 K(o=0.89,f=-3.1!) USER MOD Set 4.3: A 49 GLN : amide:sc= 1.08 K(o=0.89,f=-8.6) USER MOD Set 4.4: A 56 LYS NZ :NH3+ -163:sc= 1.21 (180deg=-0.255) USER MOD Set 5.1: A 32 LYS NZ :NH3+ -174:sc= 0.545 (180deg=0.115) USER MOD Set 5.2: A 34 THR OG1 : rot 159:sc= -1.03 USER MOD Set 5.3: A 48 TYR OH : rot 67:sc= -3.8! USER MOD Set 6.1: A 21 LYS NZ :NH3+ 177:sc= 0.453 (180deg=-0.0427) USER MOD Set 6.2: A 95 GLN : amide:sc= -2.16! C(o=-1.7!,f=-9.2!) USER MOD Set 7.1: A 16 HIS : no HD1:sc= -8.77! C(o=-20!,f=-20!) USER MOD Set 7.2: A 19 HIS : no HD1:sc= -7.63! C(o=-20!,f=-34!) USER MOD Set 7.3: A 93 MET CE :methyl -118:sc= -0.0312 (180deg=-0.363) USER MOD Set 7.4: A 96 THR OG1 : rot -165:sc= -3.16! USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.03 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -144:sc= -0.602 (180deg=-3.97!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 23 THR OG1 : rot -141:sc= -0.694! USER MOD Single : A 30 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.1) USER MOD Single : A 31 SER OG : rot -39:sc= 0.183 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -1.77! C(o=-1.8!,f=-7.1!) USER MOD Single : A 51 THR OG1 : rot -130:sc= -0.0367 USER MOD Single : A 53 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -171:sc= -2.2! USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0312 USER MOD Single : A 69 THR OG1 : rot 94:sc= 1 USER MOD Single : A 71 MET CE :methyl 165:sc= -0.0291 (180deg=-0.308) USER MOD Single : A 79 THR OG1 : rot -33:sc= 0.37 USER MOD Single : A 101 ASN : amide:sc= -2.91! C(o=-2.9!,f=-3!) USER MOD Single : A 102 HIS : no HD1:sc= -2.73! K(o=-2.7!,f=-0.64) USER MOD Single : A 104 LYS NZ :NH3+ 143:sc= 0.742 (180deg=-0.891) USER MOD Single : A 115 ASN : amide:sc= -5.22! C(o=-5.2!,f=-12!) USER MOD Single : A 116 LYS NZ :NH3+ 152:sc= 1.79 (180deg=0.749) USER MOD Single : A 117 MET CE :methyl -124:sc= -6.41! (180deg=-14.5!) USER MOD Single : A 119 LYS NZ :NH3+ -164:sc= 1.21 (180deg=0.855) USER MOD Single : A 123 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.4!) USER MOD Single : A 129 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.023) USER MOD Single : A 132 MET CE :methyl 146:sc= -0.501 (180deg=-2.49!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.242 K(o=-0.24,f=-1) USER MOD Single : A 145 THR OG1 : rot -11:sc= 0.146 USER MOD Single : A 148 CYS SG : rot -130:sc= -0.698 USER MOD Single : A 151 SER OG : rot -118:sc= 0.139 USER MOD Single : A 153 LYS NZ :NH3+ -135:sc= 1.08 (180deg=0.146) USER MOD Single : A 154 THR OG1 : rot 166:sc= -1.4! USER MOD Single : A 155 LYS NZ :NH3+ 154:sc= -0.174 (180deg=-0.948) USER MOD Single : A 160 HIS : no HE2:sc= 1.07 K(o=1.1,f=-5!) USER MOD Single : A 164 MET CE :methyl 135:sc= -1.9! (180deg=-4.82!) USER MOD Single : A 169 SER OG : rot 65:sc= 0.996 USER MOD Single : A 171 MET CE :methyl -144:sc= -0.185 (180deg=-0.801) USER MOD Single : A 175 LYS NZ :NH3+ 163:sc= -0.0819 (180deg=-0.389) USER MOD Single : A 177 ASN : amide:sc= -0.0297 X(o=-0.03,f=-0.021) USER MOD Single : A 179 GDP O2' : rot 18:sc= 0.313 USER MOD Single : A 179 GDP O3' : rot -178:sc= 0.226 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.357 -5.856 -26.655 1.00 11.58 N ATOM 2 CA GLY A 1 -16.482 -4.380 -26.654 1.00 11.11 C ATOM 3 C GLY A 1 -16.104 -3.780 -25.314 1.00 10.21 C ATOM 4 O GLY A 1 -16.237 -4.434 -24.277 1.00 9.82 O ATOM 0 H1 GLY A 1 -15.534 -6.134 -27.227 1.00 11.58 H new ATOM 0 H2 GLY A 1 -16.231 -6.194 -25.680 1.00 11.58 H new ATOM 0 H3 GLY A 1 -17.218 -6.277 -27.059 1.00 11.58 H new ATOM 0 HA2 GLY A 1 -15.844 -3.961 -27.432 1.00 11.11 H new ATOM 0 HA3 GLY A 1 -17.507 -4.103 -26.899 1.00 11.11 H new ATOM 10 N SER A 2 -15.644 -2.534 -25.325 1.00 10.08 N ATOM 11 CA SER A 2 -15.245 -1.849 -24.099 1.00 9.47 C ATOM 12 C SER A 2 -16.472 -1.315 -23.351 1.00 8.68 C ATOM 13 O SER A 2 -16.588 -0.117 -23.088 1.00 8.69 O ATOM 14 CB SER A 2 -14.277 -0.707 -24.426 1.00 9.96 C ATOM 15 OG SER A 2 -13.164 -1.178 -25.175 1.00 10.61 O ATOM 0 H SER A 2 -15.538 -1.975 -26.172 1.00 10.08 H new ATOM 0 HA SER A 2 -14.739 -2.565 -23.451 1.00 9.47 H new ATOM 0 HB2 SER A 2 -14.799 0.066 -24.991 1.00 9.96 H new ATOM 0 HB3 SER A 2 -13.928 -0.246 -23.502 1.00 9.96 H new ATOM 0 HG SER A 2 -12.562 -0.430 -25.372 1.00 10.61 H new ATOM 21 N HIS A 3 -17.384 -2.218 -23.017 1.00 8.25 N ATOM 22 CA HIS A 3 -18.592 -1.867 -22.282 1.00 7.71 C ATOM 23 C HIS A 3 -18.690 -2.693 -21.012 1.00 6.90 C ATOM 24 O HIS A 3 -18.930 -3.900 -21.069 1.00 6.93 O ATOM 25 CB HIS A 3 -19.851 -2.101 -23.123 1.00 8.30 C ATOM 26 CG HIS A 3 -20.039 -1.127 -24.245 1.00 8.89 C ATOM 27 ND1 HIS A 3 -20.903 -0.058 -24.173 1.00 9.51 N ATOM 28 CD2 HIS A 3 -19.493 -1.087 -25.481 1.00 9.23 C ATOM 29 CE1 HIS A 3 -20.884 0.594 -25.321 1.00 10.14 C ATOM 30 NE2 HIS A 3 -20.036 -0.007 -26.132 1.00 9.99 N ATOM 0 H HIS A 3 -17.308 -3.209 -23.246 1.00 8.25 H new ATOM 0 HA HIS A 3 -18.527 -0.807 -22.037 1.00 7.71 H new ATOM 0 HB2 HIS A 3 -19.814 -3.109 -23.536 1.00 8.30 H new ATOM 0 HB3 HIS A 3 -20.722 -2.056 -22.470 1.00 8.30 H new ATOM 0 HD2 HIS A 3 -18.765 -1.777 -25.882 1.00 9.23 H new ATOM 0 HE1 HIS A 3 -21.466 1.473 -25.556 1.00 10.14 H new ATOM 0 HE2 HIS A 3 -19.819 0.283 -27.086 1.00 9.99 H new ATOM 39 N MET A 4 -18.498 -2.054 -19.875 1.00 6.50 N ATOM 40 CA MET A 4 -18.630 -2.729 -18.596 1.00 6.05 C ATOM 41 C MET A 4 -20.066 -2.603 -18.106 1.00 5.19 C ATOM 42 O MET A 4 -20.571 -3.472 -17.390 1.00 5.17 O ATOM 43 CB MET A 4 -17.671 -2.139 -17.555 1.00 6.67 C ATOM 44 CG MET A 4 -16.192 -2.288 -17.900 1.00 7.26 C ATOM 45 SD MET A 4 -15.685 -1.258 -19.297 1.00 8.18 S ATOM 46 CE MET A 4 -13.932 -1.625 -19.368 1.00 8.77 C ATOM 0 H MET A 4 -18.250 -1.067 -19.809 1.00 6.50 H new ATOM 0 HA MET A 4 -18.374 -3.780 -18.731 1.00 6.05 H new ATOM 0 HB2 MET A 4 -17.897 -1.080 -17.431 1.00 6.67 H new ATOM 0 HB3 MET A 4 -17.857 -2.620 -16.595 1.00 6.67 H new ATOM 0 HG2 MET A 4 -15.593 -2.027 -17.027 1.00 7.26 H new ATOM 0 HG3 MET A 4 -15.982 -3.332 -18.131 1.00 7.26 H new ATOM 0 HE1 MET A 4 -13.475 -1.063 -20.183 1.00 8.77 H new ATOM 0 HE2 MET A 4 -13.463 -1.343 -18.425 1.00 8.77 H new ATOM 0 HE3 MET A 4 -13.790 -2.692 -19.539 1.00 8.77 H new ATOM 56 N VAL A 5 -20.709 -1.506 -18.514 1.00 4.89 N ATOM 57 CA VAL A 5 -22.102 -1.216 -18.178 1.00 4.47 C ATOM 58 C VAL A 5 -22.245 -0.869 -16.696 1.00 4.02 C ATOM 59 O VAL A 5 -22.356 0.302 -16.332 1.00 4.26 O ATOM 60 CB VAL A 5 -23.056 -2.380 -18.544 1.00 5.11 C ATOM 61 CG1 VAL A 5 -24.495 -2.045 -18.168 1.00 5.46 C ATOM 62 CG2 VAL A 5 -22.956 -2.709 -20.030 1.00 5.74 C ATOM 0 H VAL A 5 -20.272 -0.788 -19.092 1.00 4.89 H new ATOM 0 HA VAL A 5 -22.392 -0.354 -18.778 1.00 4.47 H new ATOM 0 HB VAL A 5 -22.751 -3.257 -17.973 1.00 5.11 H new ATOM 0 HG11 VAL A 5 -25.144 -2.879 -18.435 1.00 5.46 H new ATOM 0 HG12 VAL A 5 -24.558 -1.866 -17.095 1.00 5.46 H new ATOM 0 HG13 VAL A 5 -24.813 -1.151 -18.705 1.00 5.46 H new ATOM 0 HG21 VAL A 5 -23.634 -3.529 -20.267 1.00 5.74 H new ATOM 0 HG22 VAL A 5 -23.229 -1.831 -20.616 1.00 5.74 H new ATOM 0 HG23 VAL A 5 -21.934 -3.002 -20.270 1.00 5.74 H new ATOM 72 N GLU A 6 -22.212 -1.879 -15.846 1.00 3.71 N ATOM 73 CA GLU A 6 -22.362 -1.671 -14.421 1.00 3.56 C ATOM 74 C GLU A 6 -21.304 -2.455 -13.667 1.00 3.07 C ATOM 75 O GLU A 6 -21.044 -3.618 -13.970 1.00 3.23 O ATOM 76 CB GLU A 6 -23.761 -2.076 -13.960 1.00 4.14 C ATOM 77 CG GLU A 6 -24.016 -1.799 -12.489 1.00 4.54 C ATOM 78 CD GLU A 6 -25.447 -2.061 -12.086 1.00 5.11 C ATOM 79 OE1 GLU A 6 -26.293 -1.164 -12.260 1.00 5.29 O ATOM 80 OE2 GLU A 6 -25.732 -3.169 -11.586 1.00 5.70 O ATOM 0 H GLU A 6 -22.082 -2.853 -16.120 1.00 3.71 H new ATOM 0 HA GLU A 6 -22.230 -0.610 -14.208 1.00 3.56 H new ATOM 0 HB2 GLU A 6 -24.501 -1.541 -14.556 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -23.905 -3.139 -14.152 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -23.354 -2.420 -11.886 1.00 4.54 H new ATOM 0 HG3 GLU A 6 -23.766 -0.761 -12.270 1.00 4.54 H new ATOM 87 N ARG A 7 -20.692 -1.800 -12.698 1.00 2.85 N ATOM 88 CA ARG A 7 -19.629 -2.402 -11.915 1.00 2.62 C ATOM 89 C ARG A 7 -19.659 -1.849 -10.493 1.00 2.19 C ATOM 90 O ARG A 7 -19.468 -0.653 -10.276 1.00 2.44 O ATOM 91 CB ARG A 7 -18.251 -2.169 -12.570 1.00 3.27 C ATOM 92 CG ARG A 7 -17.876 -0.705 -12.808 1.00 3.86 C ATOM 93 CD ARG A 7 -18.659 -0.075 -13.957 1.00 4.69 C ATOM 94 NE ARG A 7 -18.327 1.336 -14.135 1.00 5.27 N ATOM 95 CZ ARG A 7 -19.197 2.280 -14.498 1.00 6.08 C ATOM 96 NH1 ARG A 7 -20.446 1.959 -14.820 1.00 6.40 N ATOM 97 NH2 ARG A 7 -18.801 3.541 -14.569 1.00 6.85 N ATOM 0 H ARG A 7 -20.916 -0.841 -12.433 1.00 2.85 H new ATOM 0 HA ARG A 7 -19.792 -3.479 -11.878 1.00 2.62 H new ATOM 0 HB2 ARG A 7 -17.487 -2.624 -11.940 1.00 3.27 H new ATOM 0 HB3 ARG A 7 -18.229 -2.692 -13.526 1.00 3.27 H new ATOM 0 HG2 ARG A 7 -18.056 -0.135 -11.896 1.00 3.86 H new ATOM 0 HG3 ARG A 7 -16.809 -0.638 -13.021 1.00 3.86 H new ATOM 0 HD2 ARG A 7 -18.448 -0.616 -14.879 1.00 4.69 H new ATOM 0 HD3 ARG A 7 -19.727 -0.175 -13.766 1.00 4.69 H new ATOM 0 HE ARG A 7 -17.361 1.620 -13.970 1.00 5.27 H new ATOM 0 HH11 ARG A 7 -20.746 0.985 -14.791 1.00 6.40 H new ATOM 0 HH12 ARG A 7 -21.105 2.687 -15.096 1.00 6.40 H new ATOM 0 HH21 ARG A 7 -17.836 3.786 -14.347 1.00 6.85 H new ATOM 0 HH22 ARG A 7 -19.461 4.268 -14.846 1.00 6.85 H new ATOM 111 N PRO A 8 -19.951 -2.709 -9.510 1.00 2.01 N ATOM 112 CA PRO A 8 -20.008 -2.306 -8.104 1.00 2.04 C ATOM 113 C PRO A 8 -18.627 -1.984 -7.540 1.00 1.71 C ATOM 114 O PRO A 8 -17.716 -2.809 -7.605 1.00 1.69 O ATOM 115 CB PRO A 8 -20.601 -3.531 -7.405 1.00 2.57 C ATOM 116 CG PRO A 8 -20.270 -4.682 -8.292 1.00 2.80 C ATOM 117 CD PRO A 8 -20.261 -4.140 -9.693 1.00 2.42 C ATOM 0 HA PRO A 8 -20.593 -1.397 -7.963 1.00 2.04 H new ATOM 0 HB2 PRO A 8 -20.173 -3.663 -6.411 1.00 2.57 H new ATOM 0 HB3 PRO A 8 -21.679 -3.429 -7.277 1.00 2.57 H new ATOM 0 HG2 PRO A 8 -19.301 -5.108 -8.033 1.00 2.80 H new ATOM 0 HG3 PRO A 8 -21.006 -5.479 -8.187 1.00 2.80 H new ATOM 0 HD2 PRO A 8 -19.512 -4.637 -10.310 1.00 2.42 H new ATOM 0 HD3 PRO A 8 -21.224 -4.282 -10.184 1.00 2.42 H new ATOM 125 N PRO A 9 -18.456 -0.769 -6.995 1.00 1.83 N ATOM 126 CA PRO A 9 -17.197 -0.338 -6.381 1.00 1.84 C ATOM 127 C PRO A 9 -16.923 -1.062 -5.063 1.00 1.40 C ATOM 128 O PRO A 9 -17.000 -0.469 -3.983 1.00 1.72 O ATOM 129 CB PRO A 9 -17.397 1.167 -6.135 1.00 2.47 C ATOM 130 CG PRO A 9 -18.625 1.535 -6.898 1.00 2.76 C ATOM 131 CD PRO A 9 -19.467 0.293 -6.946 1.00 2.36 C ATOM 0 HA PRO A 9 -16.341 -0.561 -7.018 1.00 1.84 H new ATOM 0 HB2 PRO A 9 -17.517 1.379 -5.072 1.00 2.47 H new ATOM 0 HB3 PRO A 9 -16.535 1.739 -6.479 1.00 2.47 H new ATOM 0 HG2 PRO A 9 -19.159 2.350 -6.409 1.00 2.76 H new ATOM 0 HG3 PRO A 9 -18.373 1.875 -7.902 1.00 2.76 H new ATOM 0 HD2 PRO A 9 -20.109 0.203 -6.070 1.00 2.36 H new ATOM 0 HD3 PRO A 9 -20.117 0.276 -7.821 1.00 2.36 H new ATOM 139 N VAL A 10 -16.625 -2.349 -5.162 1.00 1.18 N ATOM 140 CA VAL A 10 -16.305 -3.154 -3.999 1.00 0.94 C ATOM 141 C VAL A 10 -14.802 -3.129 -3.735 1.00 0.94 C ATOM 142 O VAL A 10 -13.998 -3.590 -4.543 1.00 1.76 O ATOM 143 CB VAL A 10 -16.812 -4.612 -4.152 1.00 1.25 C ATOM 144 CG1 VAL A 10 -16.307 -5.251 -5.442 1.00 1.90 C ATOM 145 CG2 VAL A 10 -16.415 -5.451 -2.945 1.00 2.00 C ATOM 0 H VAL A 10 -16.599 -2.859 -6.045 1.00 1.18 H new ATOM 0 HA VAL A 10 -16.820 -2.720 -3.142 1.00 0.94 H new ATOM 0 HB VAL A 10 -17.900 -4.577 -4.206 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -16.683 -6.272 -5.514 1.00 1.90 H new ATOM 0 HG12 VAL A 10 -16.660 -4.673 -6.296 1.00 1.90 H new ATOM 0 HG13 VAL A 10 -15.217 -5.265 -5.439 1.00 1.90 H new ATOM 0 HG21 VAL A 10 -16.781 -6.470 -3.074 1.00 2.00 H new ATOM 0 HG22 VAL A 10 -15.329 -5.464 -2.853 1.00 2.00 H new ATOM 0 HG23 VAL A 10 -16.851 -5.020 -2.043 1.00 2.00 H new ATOM 155 N VAL A 11 -14.429 -2.556 -2.608 1.00 0.62 N ATOM 156 CA VAL A 11 -13.030 -2.431 -2.242 1.00 0.61 C ATOM 157 C VAL A 11 -12.753 -3.168 -0.937 1.00 0.62 C ATOM 158 O VAL A 11 -13.502 -3.037 0.027 1.00 0.93 O ATOM 159 CB VAL A 11 -12.627 -0.946 -2.098 1.00 0.76 C ATOM 160 CG1 VAL A 11 -11.206 -0.816 -1.578 1.00 1.35 C ATOM 161 CG2 VAL A 11 -12.777 -0.215 -3.426 1.00 0.95 C ATOM 0 H VAL A 11 -15.079 -2.167 -1.925 1.00 0.62 H new ATOM 0 HA VAL A 11 -12.435 -2.878 -3.038 1.00 0.61 H new ATOM 0 HB VAL A 11 -13.298 -0.486 -1.373 1.00 0.76 H new ATOM 0 HG11 VAL A 11 -10.947 0.239 -1.486 1.00 1.35 H new ATOM 0 HG12 VAL A 11 -11.131 -1.295 -0.602 1.00 1.35 H new ATOM 0 HG13 VAL A 11 -10.519 -1.299 -2.273 1.00 1.35 H new ATOM 0 HG21 VAL A 11 -12.488 0.829 -3.302 1.00 0.95 H new ATOM 0 HG22 VAL A 11 -12.136 -0.683 -4.173 1.00 0.95 H new ATOM 0 HG23 VAL A 11 -13.815 -0.267 -3.755 1.00 0.95 H new ATOM 171 N THR A 12 -11.694 -3.953 -0.907 1.00 0.44 N ATOM 172 CA THR A 12 -11.340 -4.681 0.299 1.00 0.45 C ATOM 173 C THR A 12 -10.336 -3.884 1.127 1.00 0.41 C ATOM 174 O THR A 12 -9.307 -3.462 0.616 1.00 0.50 O ATOM 175 CB THR A 12 -10.749 -6.061 -0.041 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.651 -6.778 -0.892 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.491 -6.872 1.218 1.00 0.64 C ATOM 0 H THR A 12 -11.067 -4.104 -1.697 1.00 0.44 H new ATOM 0 HA THR A 12 -12.251 -4.826 0.880 1.00 0.45 H new ATOM 0 HB THR A 12 -9.799 -5.906 -0.553 1.00 0.54 H new ATOM 0 HG1 THR A 12 -11.270 -7.655 -1.107 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.074 -7.842 0.947 1.00 0.64 H new ATOM 0 HG22 THR A 12 -9.786 -6.339 1.856 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.428 -7.018 1.755 1.00 0.64 H new ATOM 185 N ILE A 13 -10.654 -3.659 2.394 1.00 0.40 N ATOM 186 CA ILE A 13 -9.746 -2.962 3.292 1.00 0.40 C ATOM 187 C ILE A 13 -8.994 -3.966 4.154 1.00 0.37 C ATOM 188 O ILE A 13 -9.600 -4.840 4.774 1.00 0.52 O ATOM 189 CB ILE A 13 -10.487 -1.954 4.204 1.00 0.52 C ATOM 190 CG1 ILE A 13 -11.169 -0.868 3.360 1.00 1.15 C ATOM 191 CG2 ILE A 13 -9.525 -1.322 5.203 1.00 1.26 C ATOM 192 CD1 ILE A 13 -11.914 0.164 4.181 1.00 1.30 C ATOM 0 H ILE A 13 -11.533 -3.949 2.822 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.046 -2.401 2.673 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.252 -2.496 4.760 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -10.415 -0.363 2.756 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -11.866 -1.342 2.669 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -10.067 -0.617 5.834 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.083 -2.100 5.825 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -8.736 -0.796 4.666 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -12.369 0.898 3.516 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -12.692 -0.328 4.765 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -11.218 0.666 4.853 1.00 1.30 H new ATOM 204 N MET A 14 -7.680 -3.852 4.163 1.00 0.26 N ATOM 205 CA MET A 14 -6.826 -4.728 4.927 1.00 0.28 C ATOM 206 C MET A 14 -5.778 -3.901 5.662 1.00 0.24 C ATOM 207 O MET A 14 -5.588 -2.727 5.352 1.00 0.29 O ATOM 208 CB MET A 14 -6.142 -5.711 3.986 1.00 0.36 C ATOM 209 CG MET A 14 -7.074 -6.768 3.411 1.00 0.49 C ATOM 210 SD MET A 14 -6.240 -7.872 2.256 1.00 0.79 S ATOM 211 CE MET A 14 -7.561 -9.006 1.850 1.00 0.69 C ATOM 0 H MET A 14 -7.175 -3.141 3.634 1.00 0.26 H new ATOM 0 HA MET A 14 -7.422 -5.280 5.654 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.688 -5.156 3.165 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.333 -6.207 4.521 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.499 -7.354 4.226 1.00 0.49 H new ATOM 0 HG3 MET A 14 -7.905 -6.278 2.904 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.153 -10.009 1.721 1.00 0.69 H new ATOM 0 HE2 MET A 14 -8.294 -9.014 2.656 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.042 -8.688 0.925 1.00 0.69 H new ATOM 221 N GLY A 15 -5.111 -4.503 6.631 1.00 0.27 N ATOM 222 CA GLY A 15 -4.074 -3.808 7.347 1.00 0.27 C ATOM 223 C GLY A 15 -3.799 -4.440 8.685 1.00 0.24 C ATOM 224 O GLY A 15 -4.366 -5.483 9.008 1.00 0.31 O ATOM 0 H GLY A 15 -5.272 -5.464 6.933 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.161 -3.805 6.752 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.365 -2.767 7.489 1.00 0.27 H new ATOM 228 N HIS A 16 -2.928 -3.817 9.460 1.00 0.20 N ATOM 229 CA HIS A 16 -2.580 -4.348 10.771 1.00 0.17 C ATOM 230 C HIS A 16 -3.527 -3.843 11.851 1.00 0.19 C ATOM 231 O HIS A 16 -4.205 -2.826 11.698 1.00 0.22 O ATOM 232 CB HIS A 16 -1.140 -3.977 11.145 1.00 0.17 C ATOM 233 CG HIS A 16 -0.621 -4.676 12.372 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.725 -6.038 12.527 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.020 -4.154 13.466 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.191 -6.307 13.707 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.249 -5.199 14.309 1.00 0.22 N ATOM 0 H HIS A 16 -2.451 -2.951 9.209 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.670 -5.432 10.709 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.487 -4.210 10.304 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.084 -2.900 11.303 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.205 -3.112 13.641 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.120 -7.298 14.130 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.699 -5.142 15.222 1.00 0.22 H new ATOM 245 N VAL A 17 -3.568 -4.594 12.935 1.00 0.20 N ATOM 246 CA VAL A 17 -4.270 -4.208 14.139 1.00 0.25 C ATOM 247 C VAL A 17 -3.537 -3.048 14.801 1.00 0.26 C ATOM 248 O VAL A 17 -2.341 -2.881 14.588 1.00 0.25 O ATOM 249 CB VAL A 17 -4.348 -5.416 15.090 1.00 0.29 C ATOM 250 CG1 VAL A 17 -2.957 -5.932 15.417 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.084 -5.099 16.362 1.00 0.36 C ATOM 0 H VAL A 17 -3.107 -5.502 13.003 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.283 -3.887 13.896 1.00 0.25 H new ATOM 0 HB VAL A 17 -4.910 -6.190 14.567 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.035 -6.786 16.090 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.457 -6.239 14.498 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.380 -5.142 15.898 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.111 -5.984 16.997 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.573 -4.291 16.886 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.103 -4.791 16.126 1.00 0.36 H new ATOM 261 N ASP A 18 -4.266 -2.232 15.555 1.00 0.31 N ATOM 262 CA ASP A 18 -3.711 -1.029 16.181 1.00 0.36 C ATOM 263 C ASP A 18 -3.485 0.068 15.139 1.00 0.34 C ATOM 264 O ASP A 18 -3.436 1.255 15.462 1.00 0.41 O ATOM 265 CB ASP A 18 -2.418 -1.361 16.933 1.00 0.42 C ATOM 266 CG ASP A 18 -1.697 -0.129 17.439 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.110 0.418 18.483 1.00 0.69 O ATOM 268 OD2 ASP A 18 -0.722 0.303 16.790 1.00 0.59 O ATOM 0 H ASP A 18 -5.256 -2.382 15.751 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.431 -0.652 16.907 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -2.651 -2.011 17.776 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -1.753 -1.919 16.274 1.00 0.42 H new ATOM 273 N HIS A 19 -3.371 -0.335 13.879 1.00 0.29 N ATOM 274 CA HIS A 19 -3.342 0.611 12.777 1.00 0.32 C ATOM 275 C HIS A 19 -4.778 0.937 12.395 1.00 0.43 C ATOM 276 O HIS A 19 -5.045 1.649 11.432 1.00 0.63 O ATOM 277 CB HIS A 19 -2.589 0.051 11.563 1.00 0.29 C ATOM 278 CG HIS A 19 -1.210 -0.445 11.861 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.360 -0.828 10.856 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.588 -0.603 13.051 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.752 -1.210 11.452 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.659 -1.095 12.779 1.00 0.24 N ATOM 0 H HIS A 19 -3.297 -1.313 13.598 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.812 1.509 13.095 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.171 -0.766 11.136 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.525 0.828 10.801 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.996 -0.383 14.026 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.628 -1.570 10.933 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.381 -1.330 13.460 1.00 0.24 H new ATOM 290 N GLY A 20 -5.700 0.373 13.165 1.00 0.42 N ATOM 291 CA GLY A 20 -7.098 0.695 13.020 1.00 0.54 C ATOM 292 C GLY A 20 -7.807 -0.144 11.985 1.00 0.57 C ATOM 293 O GLY A 20 -8.400 0.395 11.057 1.00 0.79 O ATOM 0 H GLY A 20 -5.496 -0.310 13.895 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.594 0.566 13.982 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.194 1.747 12.751 1.00 0.54 H new ATOM 297 N LYS A 21 -7.796 -1.460 12.153 1.00 0.61 N ATOM 298 CA LYS A 21 -8.475 -2.324 11.203 1.00 0.95 C ATOM 299 C LYS A 21 -9.964 -2.419 11.546 1.00 0.89 C ATOM 300 O LYS A 21 -10.728 -3.144 10.911 1.00 1.05 O ATOM 301 CB LYS A 21 -7.801 -3.701 11.155 1.00 1.36 C ATOM 302 CG LYS A 21 -7.809 -4.473 12.468 1.00 1.79 C ATOM 303 CD LYS A 21 -9.061 -5.327 12.617 1.00 2.30 C ATOM 304 CE LYS A 21 -9.200 -6.343 11.484 1.00 2.66 C ATOM 305 NZ LYS A 21 -8.070 -7.313 11.438 1.00 3.31 N ATOM 0 H LYS A 21 -7.333 -1.943 12.923 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.397 -1.894 10.205 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -8.297 -4.304 10.394 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -6.767 -3.571 10.835 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -6.926 -5.111 12.520 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -7.746 -3.773 13.301 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -9.031 -5.851 13.572 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -9.940 -4.682 12.635 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -10.136 -6.888 11.603 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -9.258 -5.814 10.533 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -8.240 -8.009 10.684 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -7.183 -6.804 11.246 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -7.996 -7.804 12.352 1.00 3.31 H new ATOM 319 N THR A 22 -10.358 -1.673 12.570 1.00 0.84 N ATOM 320 CA THR A 22 -11.753 -1.561 12.967 1.00 0.87 C ATOM 321 C THR A 22 -12.083 -0.100 13.279 1.00 0.79 C ATOM 322 O THR A 22 -13.110 0.431 12.849 1.00 0.79 O ATOM 323 CB THR A 22 -12.053 -2.442 14.192 1.00 1.02 C ATOM 324 OG1 THR A 22 -11.658 -3.794 13.919 1.00 1.21 O ATOM 325 CG2 THR A 22 -13.534 -2.410 14.549 1.00 1.18 C ATOM 0 H THR A 22 -9.718 -1.129 13.148 1.00 0.84 H new ATOM 0 HA THR A 22 -12.375 -1.907 12.142 1.00 0.87 H new ATOM 0 HB THR A 22 -11.489 -2.050 15.038 1.00 1.02 H new ATOM 0 HG1 THR A 22 -11.848 -4.354 14.700 1.00 1.21 H new ATOM 0 HG21 THR A 22 -13.712 -3.043 15.419 1.00 1.18 H new ATOM 0 HG22 THR A 22 -13.831 -1.387 14.778 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.119 -2.778 13.706 1.00 1.18 H new ATOM 333 N THR A 23 -11.185 0.551 14.016 1.00 0.75 N ATOM 334 CA THR A 23 -11.312 1.967 14.328 1.00 0.75 C ATOM 335 C THR A 23 -11.441 2.820 13.071 1.00 0.67 C ATOM 336 O THR A 23 -12.078 3.870 13.097 1.00 0.66 O ATOM 337 CB THR A 23 -10.111 2.444 15.148 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.111 1.418 15.166 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.522 2.789 16.571 1.00 1.17 C ATOM 0 H THR A 23 -10.354 0.111 14.411 1.00 0.75 H new ATOM 0 HA THR A 23 -12.225 2.085 14.911 1.00 0.75 H new ATOM 0 HB THR A 23 -9.709 3.345 14.684 1.00 0.82 H new ATOM 0 HG1 THR A 23 -8.704 1.374 16.056 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.649 3.125 17.131 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.268 3.583 16.552 1.00 1.17 H new ATOM 0 HG23 THR A 23 -10.944 1.906 17.052 1.00 1.17 H new ATOM 347 N LEU A 24 -10.856 2.369 11.963 1.00 0.65 N ATOM 348 CA LEU A 24 -10.982 3.095 10.705 1.00 0.63 C ATOM 349 C LEU A 24 -12.414 3.028 10.227 1.00 0.64 C ATOM 350 O LEU A 24 -12.979 4.014 9.788 1.00 0.65 O ATOM 351 CB LEU A 24 -10.096 2.499 9.641 1.00 0.67 C ATOM 352 CG LEU A 24 -9.831 3.401 8.433 1.00 0.84 C ATOM 353 CD1 LEU A 24 -8.993 4.604 8.840 1.00 1.49 C ATOM 354 CD2 LEU A 24 -9.150 2.624 7.320 1.00 1.30 C ATOM 0 H LEU A 24 -10.298 1.517 11.912 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.681 4.128 10.880 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.140 2.234 10.093 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.550 1.572 9.290 1.00 0.67 H new ATOM 0 HG LEU A 24 -10.789 3.761 8.058 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -8.814 5.234 7.969 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -9.524 5.177 9.600 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -8.039 4.263 9.243 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -8.971 3.285 6.472 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.199 2.230 7.680 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -9.790 1.798 7.008 1.00 1.30 H new ATOM 366 N LEU A 25 -12.995 1.846 10.353 1.00 0.68 N ATOM 367 CA LEU A 25 -14.369 1.598 9.935 1.00 0.75 C ATOM 368 C LEU A 25 -15.349 2.355 10.835 1.00 0.74 C ATOM 369 O LEU A 25 -16.541 2.452 10.538 1.00 0.82 O ATOM 370 CB LEU A 25 -14.654 0.093 9.988 1.00 0.85 C ATOM 371 CG LEU A 25 -15.232 -0.518 8.711 1.00 0.92 C ATOM 372 CD1 LEU A 25 -16.650 -0.029 8.473 1.00 1.63 C ATOM 373 CD2 LEU A 25 -14.345 -0.186 7.519 1.00 1.69 C ATOM 0 H LEU A 25 -12.529 1.029 10.748 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.500 1.954 8.913 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -13.726 -0.426 10.229 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -15.348 -0.098 10.807 1.00 0.85 H new ATOM 0 HG LEU A 25 -15.263 -1.601 8.831 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -17.041 -0.477 7.559 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -17.280 -0.315 9.315 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -16.649 1.056 8.373 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -14.768 -0.627 6.617 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -14.285 0.896 7.400 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -13.346 -0.589 7.686 1.00 1.69 H new ATOM 385 N ASP A 26 -14.839 2.885 11.940 1.00 0.71 N ATOM 386 CA ASP A 26 -15.648 3.685 12.850 1.00 0.75 C ATOM 387 C ASP A 26 -15.419 5.154 12.574 1.00 0.70 C ATOM 388 O ASP A 26 -16.337 5.972 12.603 1.00 0.76 O ATOM 389 CB ASP A 26 -15.274 3.392 14.285 1.00 0.81 C ATOM 390 CG ASP A 26 -16.262 3.984 15.265 1.00 1.01 C ATOM 391 OD1 ASP A 26 -16.096 5.162 15.653 1.00 1.23 O ATOM 392 OD2 ASP A 26 -17.219 3.278 15.645 1.00 1.13 O ATOM 0 H ASP A 26 -13.867 2.775 12.228 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.697 3.434 12.694 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.221 2.313 14.432 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.280 3.790 14.488 1.00 0.81 H new ATOM 397 N ALA A 27 -14.171 5.466 12.295 1.00 0.63 N ATOM 398 CA ALA A 27 -13.753 6.828 12.007 1.00 0.61 C ATOM 399 C ALA A 27 -14.246 7.260 10.636 1.00 0.58 C ATOM 400 O ALA A 27 -14.589 8.423 10.413 1.00 0.62 O ATOM 401 CB ALA A 27 -12.243 6.901 12.069 1.00 0.61 C ATOM 0 H ALA A 27 -13.414 4.783 12.261 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.184 7.503 12.747 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -11.919 7.919 11.854 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.906 6.615 13.065 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.815 6.221 11.332 1.00 0.61 H new ATOM 407 N ILE A 28 -14.292 6.298 9.735 1.00 0.56 N ATOM 408 CA ILE A 28 -14.702 6.523 8.361 1.00 0.57 C ATOM 409 C ILE A 28 -16.197 6.831 8.295 1.00 0.64 C ATOM 410 O ILE A 28 -16.682 7.397 7.322 1.00 0.71 O ATOM 411 CB ILE A 28 -14.356 5.281 7.505 1.00 0.61 C ATOM 412 CG1 ILE A 28 -14.194 5.640 6.035 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.407 4.187 7.662 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.475 4.557 5.263 1.00 0.85 C ATOM 0 H ILE A 28 -14.044 5.330 9.937 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.164 7.383 7.962 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.402 4.901 7.872 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -15.176 5.809 5.593 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.640 6.575 5.949 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -15.134 3.329 7.048 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.462 3.882 8.707 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.378 4.567 7.344 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.382 4.855 4.219 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.482 4.406 5.687 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -14.042 3.628 5.326 1.00 0.85 H new ATOM 426 N ARG A 29 -16.910 6.474 9.358 1.00 0.70 N ATOM 427 CA ARG A 29 -18.344 6.720 9.456 1.00 0.82 C ATOM 428 C ARG A 29 -18.647 8.210 9.382 1.00 0.86 C ATOM 429 O ARG A 29 -19.379 8.668 8.502 1.00 1.07 O ATOM 430 CB ARG A 29 -18.874 6.161 10.777 1.00 0.99 C ATOM 431 CG ARG A 29 -18.882 4.645 10.847 1.00 1.06 C ATOM 432 CD ARG A 29 -20.124 4.062 10.194 1.00 1.06 C ATOM 433 NE ARG A 29 -21.342 4.560 10.829 1.00 1.62 N ATOM 434 CZ ARG A 29 -21.882 4.033 11.929 1.00 2.19 C ATOM 435 NH1 ARG A 29 -21.325 2.980 12.520 1.00 2.49 N ATOM 436 NH2 ARG A 29 -22.979 4.576 12.443 1.00 3.04 N ATOM 0 H ARG A 29 -16.512 6.008 10.173 1.00 0.70 H new ATOM 0 HA ARG A 29 -18.834 6.223 8.619 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -18.266 6.549 11.594 1.00 0.99 H new ATOM 0 HB3 ARG A 29 -19.889 6.527 10.934 1.00 0.99 H new ATOM 0 HG2 ARG A 29 -17.993 4.253 10.354 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -18.835 4.328 11.889 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -20.134 4.317 9.134 1.00 1.06 H new ATOM 0 HD3 ARG A 29 -20.096 2.974 10.260 1.00 1.06 H new ATOM 0 HE ARG A 29 -21.809 5.361 10.404 1.00 1.62 H new ATOM 0 HH11 ARG A 29 -20.476 2.567 12.133 1.00 2.49 H new ATOM 0 HH12 ARG A 29 -21.746 2.585 13.361 1.00 2.49 H new ATOM 0 HH21 ARG A 29 -23.402 5.390 11.997 1.00 3.04 H new ATOM 0 HH22 ARG A 29 -23.399 4.179 13.284 1.00 3.04 H new ATOM 450 N HIS A 30 -18.036 8.958 10.291 1.00 0.83 N ATOM 451 CA HIS A 30 -18.304 10.386 10.443 1.00 0.98 C ATOM 452 C HIS A 30 -17.367 11.211 9.574 1.00 0.95 C ATOM 453 O HIS A 30 -17.027 12.350 9.885 1.00 1.10 O ATOM 454 CB HIS A 30 -18.111 10.774 11.890 1.00 1.15 C ATOM 455 CG HIS A 30 -18.733 12.078 12.280 1.00 1.60 C ATOM 456 ND1 HIS A 30 -18.480 12.721 13.471 1.00 2.04 N ATOM 457 CD2 HIS A 30 -19.591 12.857 11.612 1.00 2.10 C ATOM 458 CE1 HIS A 30 -19.167 13.849 13.508 1.00 2.61 C ATOM 459 NE2 HIS A 30 -19.851 13.960 12.387 1.00 2.65 N ATOM 0 H HIS A 30 -17.341 8.595 10.944 1.00 0.83 H new ATOM 0 HA HIS A 30 -19.329 10.583 10.130 1.00 0.98 H new ATOM 0 HB2 HIS A 30 -18.525 9.987 12.521 1.00 1.15 H new ATOM 0 HB3 HIS A 30 -17.042 10.821 12.099 1.00 1.15 H new ATOM 0 HD2 HIS A 30 -20.006 12.654 10.636 1.00 2.10 H new ATOM 0 HE1 HIS A 30 -19.168 14.561 14.320 1.00 2.61 H new ATOM 0 HE2 HIS A 30 -20.468 14.733 12.138 1.00 2.65 H new ATOM 468 N SER A 31 -16.940 10.601 8.507 1.00 0.82 N ATOM 469 CA SER A 31 -16.038 11.241 7.560 1.00 0.84 C ATOM 470 C SER A 31 -16.784 11.705 6.301 1.00 1.00 C ATOM 471 O SER A 31 -16.191 12.323 5.417 1.00 1.38 O ATOM 472 CB SER A 31 -14.903 10.271 7.194 1.00 0.78 C ATOM 473 OG SER A 31 -13.863 10.913 6.477 1.00 1.46 O ATOM 0 H SER A 31 -17.200 9.647 8.258 1.00 0.82 H new ATOM 0 HA SER A 31 -15.614 12.128 8.031 1.00 0.84 H new ATOM 0 HB2 SER A 31 -14.496 9.830 8.104 1.00 0.78 H new ATOM 0 HB3 SER A 31 -15.304 9.454 6.595 1.00 0.78 H new ATOM 0 HG SER A 31 -14.249 11.558 5.848 1.00 1.46 H new ATOM 479 N LYS A 32 -18.088 11.430 6.228 1.00 0.91 N ATOM 480 CA LYS A 32 -18.875 11.781 5.041 1.00 1.09 C ATOM 481 C LYS A 32 -20.375 11.644 5.312 1.00 1.10 C ATOM 482 O LYS A 32 -20.787 11.331 6.429 1.00 1.37 O ATOM 483 CB LYS A 32 -18.492 10.900 3.843 1.00 1.39 C ATOM 484 CG LYS A 32 -18.975 9.462 3.955 1.00 1.56 C ATOM 485 CD LYS A 32 -18.132 8.654 4.920 1.00 2.24 C ATOM 486 CE LYS A 32 -18.779 7.319 5.232 1.00 3.10 C ATOM 487 NZ LYS A 32 -20.024 7.472 6.024 1.00 3.92 N ATOM 0 H LYS A 32 -18.618 10.970 6.968 1.00 0.91 H new ATOM 0 HA LYS A 32 -18.651 12.821 4.803 1.00 1.09 H new ATOM 0 HB2 LYS A 32 -18.902 11.341 2.935 1.00 1.39 H new ATOM 0 HB3 LYS A 32 -17.407 10.901 3.736 1.00 1.39 H new ATOM 0 HG2 LYS A 32 -20.014 9.453 4.286 1.00 1.56 H new ATOM 0 HG3 LYS A 32 -18.950 8.993 2.971 1.00 1.56 H new ATOM 0 HD2 LYS A 32 -17.143 8.490 4.493 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -17.991 9.217 5.843 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -19.004 6.800 4.301 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -18.074 6.695 5.782 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -20.377 6.534 6.301 1.00 3.92 H new ATOM 0 HZ2 LYS A 32 -19.826 8.033 6.877 1.00 3.92 H new ATOM 0 HZ3 LYS A 32 -20.743 7.957 5.450 1.00 3.92 H new ATOM 501 N VAL A 33 -21.181 11.848 4.273 1.00 1.17 N ATOM 502 CA VAL A 33 -22.637 11.857 4.408 1.00 1.39 C ATOM 503 C VAL A 33 -23.220 10.452 4.406 1.00 1.51 C ATOM 504 O VAL A 33 -23.798 10.001 3.414 1.00 2.31 O ATOM 505 CB VAL A 33 -23.308 12.636 3.270 1.00 2.16 C ATOM 506 CG1 VAL A 33 -24.802 12.750 3.530 1.00 3.10 C ATOM 507 CG2 VAL A 33 -22.682 14.009 3.111 1.00 3.06 C ATOM 0 H VAL A 33 -20.849 12.010 3.322 1.00 1.17 H new ATOM 0 HA VAL A 33 -22.837 12.340 5.364 1.00 1.39 H new ATOM 0 HB VAL A 33 -23.155 12.092 2.338 1.00 2.16 H new ATOM 0 HG11 VAL A 33 -25.271 13.305 2.717 1.00 3.10 H new ATOM 0 HG12 VAL A 33 -25.238 11.753 3.588 1.00 3.10 H new ATOM 0 HG13 VAL A 33 -24.969 13.274 4.471 1.00 3.10 H new ATOM 0 HG21 VAL A 33 -23.175 14.542 2.298 1.00 3.06 H new ATOM 0 HG22 VAL A 33 -22.799 14.572 4.037 1.00 3.06 H new ATOM 0 HG23 VAL A 33 -21.621 13.901 2.884 1.00 3.06 H new ATOM 517 N THR A 34 -23.041 9.743 5.492 1.00 1.46 N ATOM 518 CA THR A 34 -23.678 8.454 5.655 1.00 1.91 C ATOM 519 C THR A 34 -23.745 8.103 7.133 1.00 2.50 C ATOM 520 O THR A 34 -22.732 8.166 7.832 1.00 2.78 O ATOM 521 CB THR A 34 -22.931 7.353 4.892 1.00 1.83 C ATOM 522 OG1 THR A 34 -21.964 7.926 4.000 1.00 2.42 O ATOM 523 CG2 THR A 34 -23.897 6.472 4.117 1.00 1.73 C ATOM 0 H THR A 34 -22.460 10.034 6.278 1.00 1.46 H new ATOM 0 HA THR A 34 -24.685 8.520 5.242 1.00 1.91 H new ATOM 0 HB THR A 34 -22.413 6.733 5.624 1.00 1.83 H new ATOM 0 HG1 THR A 34 -21.284 7.255 3.780 1.00 2.42 H new ATOM 0 HG21 THR A 34 -23.340 5.700 3.586 1.00 1.73 H new ATOM 0 HG22 THR A 34 -24.597 6.003 4.809 1.00 1.73 H new ATOM 0 HG23 THR A 34 -24.448 7.080 3.400 1.00 1.73 H new ATOM 531 N GLU A 35 -24.923 7.732 7.601 1.00 3.15 N ATOM 532 CA GLU A 35 -25.140 7.498 9.023 1.00 3.98 C ATOM 533 C GLU A 35 -25.780 6.136 9.287 1.00 4.05 C ATOM 534 O GLU A 35 -25.248 5.332 10.052 1.00 4.33 O ATOM 535 CB GLU A 35 -25.986 8.632 9.629 1.00 4.75 C ATOM 536 CG GLU A 35 -26.765 9.459 8.607 1.00 5.08 C ATOM 537 CD GLU A 35 -27.924 8.710 7.981 1.00 5.84 C ATOM 538 OE1 GLU A 35 -27.683 7.845 7.111 1.00 6.16 O ATOM 539 OE2 GLU A 35 -29.082 8.986 8.354 1.00 6.34 O ATOM 0 H GLU A 35 -25.747 7.585 7.019 1.00 3.15 H new ATOM 0 HA GLU A 35 -24.165 7.491 9.510 1.00 3.98 H new ATOM 0 HB2 GLU A 35 -26.690 8.202 10.341 1.00 4.75 H new ATOM 0 HB3 GLU A 35 -25.330 9.297 10.191 1.00 4.75 H new ATOM 0 HG2 GLU A 35 -27.144 10.359 9.092 1.00 5.08 H new ATOM 0 HG3 GLU A 35 -26.085 9.784 7.820 1.00 5.08 H new ATOM 546 N GLN A 36 -26.908 5.877 8.650 1.00 4.07 N ATOM 547 CA GLN A 36 -27.601 4.606 8.802 1.00 4.38 C ATOM 548 C GLN A 36 -28.170 4.130 7.474 1.00 4.02 C ATOM 549 O GLN A 36 -28.158 2.936 7.180 1.00 4.41 O ATOM 550 CB GLN A 36 -28.703 4.694 9.866 1.00 5.16 C ATOM 551 CG GLN A 36 -29.653 5.868 9.704 1.00 5.59 C ATOM 552 CD GLN A 36 -30.737 5.873 10.764 1.00 6.26 C ATOM 553 OE1 GLN A 36 -30.555 6.421 11.854 1.00 6.59 O ATOM 554 NE2 GLN A 36 -31.883 5.287 10.450 1.00 6.79 N ATOM 0 H GLN A 36 -27.367 6.533 8.018 1.00 4.07 H new ATOM 0 HA GLN A 36 -26.869 3.872 9.139 1.00 4.38 H new ATOM 0 HB2 GLN A 36 -29.282 3.771 9.846 1.00 5.16 H new ATOM 0 HB3 GLN A 36 -28.236 4.756 10.849 1.00 5.16 H new ATOM 0 HG2 GLN A 36 -29.090 6.800 9.757 1.00 5.59 H new ATOM 0 HG3 GLN A 36 -30.112 5.829 8.716 1.00 5.59 H new ATOM 0 HE21 GLN A 36 -31.996 4.844 9.538 1.00 6.79 H new ATOM 0 HE22 GLN A 36 -32.652 5.279 11.120 1.00 6.79 H new ATOM 563 N GLU A 37 -28.646 5.060 6.659 1.00 3.65 N ATOM 564 CA GLU A 37 -29.165 4.712 5.348 1.00 3.72 C ATOM 565 C GLU A 37 -28.110 5.029 4.289 1.00 3.46 C ATOM 566 O GLU A 37 -27.005 5.457 4.636 1.00 3.48 O ATOM 567 CB GLU A 37 -30.483 5.449 5.075 1.00 4.27 C ATOM 568 CG GLU A 37 -31.242 4.934 3.858 1.00 4.95 C ATOM 569 CD GLU A 37 -32.667 5.431 3.797 1.00 5.60 C ATOM 570 OE1 GLU A 37 -32.874 6.640 3.572 1.00 6.24 O ATOM 571 OE2 GLU A 37 -33.591 4.616 3.984 1.00 5.76 O ATOM 0 H GLU A 37 -28.683 6.055 6.882 1.00 3.65 H new ATOM 0 HA GLU A 37 -29.382 3.645 5.311 1.00 3.72 H new ATOM 0 HB2 GLU A 37 -31.124 5.363 5.953 1.00 4.27 H new ATOM 0 HB3 GLU A 37 -30.272 6.509 4.937 1.00 4.27 H new ATOM 0 HG2 GLU A 37 -30.717 5.240 2.953 1.00 4.95 H new ATOM 0 HG3 GLU A 37 -31.244 3.844 3.872 1.00 4.95 H new ATOM 578 N ALA A 38 -28.432 4.756 3.021 1.00 3.77 N ATOM 579 CA ALA A 38 -27.525 4.984 1.889 1.00 4.17 C ATOM 580 C ALA A 38 -26.379 3.976 1.878 1.00 4.07 C ATOM 581 O ALA A 38 -25.676 3.829 0.878 1.00 4.46 O ATOM 582 CB ALA A 38 -26.992 6.415 1.884 1.00 4.95 C ATOM 0 H ALA A 38 -29.335 4.368 2.748 1.00 3.77 H new ATOM 0 HA ALA A 38 -28.103 4.838 0.977 1.00 4.17 H new ATOM 0 HB1 ALA A 38 -26.324 6.551 1.034 1.00 4.95 H new ATOM 0 HB2 ALA A 38 -27.825 7.113 1.806 1.00 4.95 H new ATOM 0 HB3 ALA A 38 -26.446 6.603 2.808 1.00 4.95 H new ATOM 588 N GLY A 39 -26.209 3.268 2.987 1.00 4.00 N ATOM 589 CA GLY A 39 -25.163 2.278 3.076 1.00 4.22 C ATOM 590 C GLY A 39 -24.562 2.179 4.462 1.00 4.22 C ATOM 591 O GLY A 39 -23.771 1.274 4.722 1.00 4.68 O ATOM 0 H GLY A 39 -26.780 3.365 3.826 1.00 4.00 H new ATOM 0 HA2 GLY A 39 -25.564 1.306 2.789 1.00 4.22 H new ATOM 0 HA3 GLY A 39 -24.377 2.522 2.361 1.00 4.22 H new ATOM 595 N GLY A 40 -24.930 3.112 5.342 1.00 4.14 N ATOM 596 CA GLY A 40 -24.422 3.111 6.712 1.00 4.55 C ATOM 597 C GLY A 40 -24.626 1.778 7.406 1.00 4.28 C ATOM 598 O GLY A 40 -23.661 1.097 7.759 1.00 4.37 O ATOM 0 H GLY A 40 -25.575 3.874 5.131 1.00 4.14 H new ATOM 0 HA2 GLY A 40 -23.359 3.353 6.702 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -24.922 3.894 7.282 1.00 4.55 H new ATOM 602 N ILE A 41 -25.879 1.410 7.616 1.00 4.35 N ATOM 603 CA ILE A 41 -26.212 0.085 8.109 1.00 4.40 C ATOM 604 C ILE A 41 -26.814 -0.714 6.964 1.00 4.54 C ATOM 605 O ILE A 41 -27.941 -0.452 6.531 1.00 5.04 O ATOM 606 CB ILE A 41 -27.191 0.112 9.317 1.00 4.99 C ATOM 607 CG1 ILE A 41 -26.492 0.583 10.602 1.00 5.27 C ATOM 608 CG2 ILE A 41 -27.806 -1.265 9.545 1.00 5.57 C ATOM 609 CD1 ILE A 41 -26.104 2.046 10.611 1.00 5.56 C ATOM 0 H ILE A 41 -26.685 2.013 7.452 1.00 4.35 H new ATOM 0 HA ILE A 41 -25.296 -0.380 8.472 1.00 4.40 H new ATOM 0 HB ILE A 41 -27.981 0.823 9.075 1.00 4.99 H new ATOM 0 HG12 ILE A 41 -27.150 0.391 11.449 1.00 5.27 H new ATOM 0 HG13 ILE A 41 -25.595 -0.018 10.753 1.00 5.27 H new ATOM 0 HG21 ILE A 41 -28.487 -1.223 10.395 1.00 5.57 H new ATOM 0 HG22 ILE A 41 -28.355 -1.570 8.654 1.00 5.57 H new ATOM 0 HG23 ILE A 41 -27.016 -1.987 9.749 1.00 5.57 H new ATOM 0 HD11 ILE A 41 -25.617 2.288 11.556 1.00 5.56 H new ATOM 0 HD12 ILE A 41 -25.418 2.245 9.788 1.00 5.56 H new ATOM 0 HD13 ILE A 41 -26.997 2.660 10.495 1.00 5.56 H new ATOM 621 N THR A 42 -26.053 -1.664 6.455 1.00 4.43 N ATOM 622 CA THR A 42 -26.463 -2.426 5.290 1.00 4.86 C ATOM 623 C THR A 42 -26.324 -3.919 5.542 1.00 4.64 C ATOM 624 O THR A 42 -25.639 -4.346 6.471 1.00 4.68 O ATOM 625 CB THR A 42 -25.633 -2.020 4.047 1.00 5.21 C ATOM 626 OG1 THR A 42 -26.004 -2.802 2.908 1.00 5.55 O ATOM 627 CG2 THR A 42 -24.142 -2.166 4.306 1.00 5.93 C ATOM 0 H THR A 42 -25.143 -1.928 6.832 1.00 4.43 H new ATOM 0 HA THR A 42 -27.512 -2.201 5.099 1.00 4.86 H new ATOM 0 HB THR A 42 -25.848 -0.971 3.842 1.00 5.21 H new ATOM 0 HG1 THR A 42 -26.730 -2.354 2.426 1.00 5.55 H new ATOM 0 HG21 THR A 42 -23.587 -1.873 3.414 1.00 5.93 H new ATOM 0 HG22 THR A 42 -23.853 -1.526 5.140 1.00 5.93 H new ATOM 0 HG23 THR A 42 -23.915 -3.204 4.550 1.00 5.93 H new ATOM 635 N GLN A 43 -26.966 -4.704 4.691 1.00 4.73 N ATOM 636 CA GLN A 43 -26.965 -6.158 4.822 1.00 4.79 C ATOM 637 C GLN A 43 -25.728 -6.756 4.160 1.00 4.45 C ATOM 638 O GLN A 43 -25.802 -7.751 3.440 1.00 4.74 O ATOM 639 CB GLN A 43 -28.240 -6.751 4.214 1.00 5.52 C ATOM 640 CG GLN A 43 -29.520 -6.288 4.895 1.00 5.96 C ATOM 641 CD GLN A 43 -29.625 -6.729 6.347 1.00 6.23 C ATOM 642 OE1 GLN A 43 -28.623 -6.878 7.044 1.00 6.39 O ATOM 643 NE2 GLN A 43 -30.843 -6.948 6.814 1.00 6.63 N ATOM 0 H GLN A 43 -27.500 -4.357 3.894 1.00 4.73 H new ATOM 0 HA GLN A 43 -26.940 -6.408 5.883 1.00 4.79 H new ATOM 0 HB2 GLN A 43 -28.285 -6.485 3.158 1.00 5.52 H new ATOM 0 HB3 GLN A 43 -28.185 -7.838 4.267 1.00 5.52 H new ATOM 0 HG2 GLN A 43 -29.575 -5.200 4.848 1.00 5.96 H new ATOM 0 HG3 GLN A 43 -30.377 -6.674 4.343 1.00 5.96 H new ATOM 0 HE21 GLN A 43 -31.653 -6.815 6.209 1.00 6.63 H new ATOM 0 HE22 GLN A 43 -30.972 -7.250 7.780 1.00 6.63 H new ATOM 652 N HIS A 44 -24.593 -6.123 4.402 1.00 4.15 N ATOM 653 CA HIS A 44 -23.311 -6.569 3.872 1.00 4.05 C ATOM 654 C HIS A 44 -22.280 -6.486 4.984 1.00 3.55 C ATOM 655 O HIS A 44 -21.269 -5.799 4.854 1.00 3.72 O ATOM 656 CB HIS A 44 -22.870 -5.702 2.677 1.00 4.61 C ATOM 657 CG HIS A 44 -23.775 -5.762 1.484 1.00 5.23 C ATOM 658 ND1 HIS A 44 -23.496 -6.488 0.344 1.00 5.76 N ATOM 659 CD2 HIS A 44 -24.960 -5.158 1.258 1.00 5.72 C ATOM 660 CE1 HIS A 44 -24.476 -6.326 -0.528 1.00 6.54 C ATOM 661 NE2 HIS A 44 -25.374 -5.524 0.004 1.00 6.49 N ATOM 0 H HIS A 44 -24.532 -5.281 4.974 1.00 4.15 H new ATOM 0 HA HIS A 44 -23.406 -7.595 3.516 1.00 4.05 H new ATOM 0 HB2 HIS A 44 -22.796 -4.666 3.007 1.00 4.61 H new ATOM 0 HB3 HIS A 44 -21.870 -6.011 2.372 1.00 4.61 H new ATOM 0 HD1 HIS A 44 -22.664 -7.060 0.197 1.00 5.76 H new ATOM 0 HD2 HIS A 44 -25.486 -4.506 1.940 1.00 5.72 H new ATOM 0 HE1 HIS A 44 -24.531 -6.775 -1.509 1.00 6.54 H new ATOM 670 N ILE A 45 -22.561 -7.185 6.082 1.00 3.31 N ATOM 671 CA ILE A 45 -21.774 -7.074 7.308 1.00 3.06 C ATOM 672 C ILE A 45 -20.284 -7.301 7.064 1.00 2.33 C ATOM 673 O ILE A 45 -19.876 -8.006 6.135 1.00 2.50 O ATOM 674 CB ILE A 45 -22.289 -8.038 8.400 1.00 3.87 C ATOM 675 CG1 ILE A 45 -21.510 -7.864 9.712 1.00 4.51 C ATOM 676 CG2 ILE A 45 -22.218 -9.480 7.918 1.00 4.43 C ATOM 677 CD1 ILE A 45 -22.067 -8.672 10.863 1.00 5.17 C ATOM 0 H ILE A 45 -23.338 -7.842 6.147 1.00 3.31 H new ATOM 0 HA ILE A 45 -21.899 -6.050 7.660 1.00 3.06 H new ATOM 0 HB ILE A 45 -23.332 -7.791 8.599 1.00 3.87 H new ATOM 0 HG12 ILE A 45 -20.471 -8.151 9.548 1.00 4.51 H new ATOM 0 HG13 ILE A 45 -21.510 -6.809 9.987 1.00 4.51 H new ATOM 0 HG21 ILE A 45 -22.585 -10.144 8.701 1.00 4.43 H new ATOM 0 HG22 ILE A 45 -22.833 -9.596 7.026 1.00 4.43 H new ATOM 0 HG23 ILE A 45 -21.185 -9.734 7.682 1.00 4.43 H new ATOM 0 HD11 ILE A 45 -21.465 -8.498 11.755 1.00 5.17 H new ATOM 0 HD12 ILE A 45 -23.096 -8.370 11.055 1.00 5.17 H new ATOM 0 HD13 ILE A 45 -22.041 -9.732 10.610 1.00 5.17 H new ATOM 689 N GLY A 46 -19.493 -6.703 7.932 1.00 2.18 N ATOM 690 CA GLY A 46 -18.058 -6.644 7.748 1.00 2.10 C ATOM 691 C GLY A 46 -17.626 -5.236 7.401 1.00 1.86 C ATOM 692 O GLY A 46 -16.643 -4.720 7.935 1.00 2.51 O ATOM 0 H GLY A 46 -19.826 -6.246 8.781 1.00 2.18 H new ATOM 0 HA2 GLY A 46 -17.555 -6.971 8.658 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -17.759 -7.329 6.954 1.00 2.10 H new ATOM 696 N ALA A 47 -18.396 -4.618 6.521 1.00 1.36 N ATOM 697 CA ALA A 47 -18.164 -3.255 6.083 1.00 1.12 C ATOM 698 C ALA A 47 -19.486 -2.638 5.666 1.00 1.01 C ATOM 699 O ALA A 47 -20.546 -3.112 6.080 1.00 1.17 O ATOM 700 CB ALA A 47 -17.161 -3.231 4.947 1.00 1.29 C ATOM 0 H ALA A 47 -19.209 -5.055 6.087 1.00 1.36 H new ATOM 0 HA ALA A 47 -17.745 -2.669 6.901 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -16.997 -2.202 4.628 1.00 1.29 H new ATOM 0 HB2 ALA A 47 -16.218 -3.661 5.285 1.00 1.29 H new ATOM 0 HB3 ALA A 47 -17.546 -3.813 4.110 1.00 1.29 H new ATOM 706 N TYR A 48 -19.434 -1.601 4.852 1.00 0.85 N ATOM 707 CA TYR A 48 -20.638 -0.864 4.520 1.00 0.89 C ATOM 708 C TYR A 48 -20.406 0.048 3.325 1.00 0.81 C ATOM 709 O TYR A 48 -19.291 0.141 2.805 1.00 0.73 O ATOM 710 CB TYR A 48 -21.123 -0.060 5.730 1.00 0.97 C ATOM 711 CG TYR A 48 -20.372 1.225 5.976 1.00 0.94 C ATOM 712 CD1 TYR A 48 -19.027 1.226 6.304 1.00 0.92 C ATOM 713 CD2 TYR A 48 -21.031 2.442 5.897 1.00 1.20 C ATOM 714 CE1 TYR A 48 -18.357 2.408 6.544 1.00 1.15 C ATOM 715 CE2 TYR A 48 -20.371 3.627 6.133 1.00 1.40 C ATOM 716 CZ TYR A 48 -19.035 3.604 6.456 1.00 1.37 C ATOM 717 OH TYR A 48 -18.375 4.784 6.698 1.00 1.70 O ATOM 0 H TYR A 48 -18.582 -1.253 4.413 1.00 0.85 H new ATOM 0 HA TYR A 48 -21.413 -1.581 4.249 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -22.179 0.173 5.595 1.00 0.97 H new ATOM 0 HB3 TYR A 48 -21.046 -0.686 6.619 1.00 0.97 H new ATOM 0 HD1 TYR A 48 -18.495 0.289 6.373 1.00 0.92 H new ATOM 0 HD2 TYR A 48 -22.081 2.461 5.646 1.00 1.20 H new ATOM 0 HE1 TYR A 48 -17.308 2.396 6.799 1.00 1.15 H new ATOM 0 HE2 TYR A 48 -20.899 4.567 6.065 1.00 1.40 H new ATOM 0 HH TYR A 48 -17.709 4.936 5.996 1.00 1.70 H new ATOM 727 N GLN A 49 -21.465 0.719 2.909 1.00 0.91 N ATOM 728 CA GLN A 49 -21.433 1.539 1.712 1.00 0.89 C ATOM 729 C GLN A 49 -21.157 2.993 2.076 1.00 0.90 C ATOM 730 O GLN A 49 -21.898 3.604 2.846 1.00 1.02 O ATOM 731 CB GLN A 49 -22.775 1.438 0.981 1.00 1.02 C ATOM 732 CG GLN A 49 -23.278 0.011 0.806 1.00 1.09 C ATOM 733 CD GLN A 49 -24.689 -0.052 0.252 1.00 1.45 C ATOM 734 OE1 GLN A 49 -25.129 0.841 -0.471 1.00 1.87 O ATOM 735 NE2 GLN A 49 -25.413 -1.107 0.590 1.00 1.91 N ATOM 0 H GLN A 49 -22.366 0.711 3.388 1.00 0.91 H new ATOM 0 HA GLN A 49 -20.636 1.180 1.061 1.00 0.89 H new ATOM 0 HB2 GLN A 49 -23.521 2.011 1.532 1.00 1.02 H new ATOM 0 HB3 GLN A 49 -22.678 1.901 -0.001 1.00 1.02 H new ATOM 0 HG2 GLN A 49 -22.606 -0.527 0.137 1.00 1.09 H new ATOM 0 HG3 GLN A 49 -23.247 -0.501 1.768 1.00 1.09 H new ATOM 0 HE21 GLN A 49 -25.014 -1.828 1.192 1.00 1.91 H new ATOM 0 HE22 GLN A 49 -26.370 -1.199 0.249 1.00 1.91 H new ATOM 744 N VAL A 50 -20.086 3.535 1.524 1.00 0.85 N ATOM 745 CA VAL A 50 -19.706 4.915 1.782 1.00 0.91 C ATOM 746 C VAL A 50 -20.484 5.868 0.873 1.00 0.96 C ATOM 747 O VAL A 50 -20.998 5.471 -0.172 1.00 1.01 O ATOM 748 CB VAL A 50 -18.181 5.109 1.595 1.00 0.93 C ATOM 749 CG1 VAL A 50 -17.741 6.538 1.889 1.00 1.53 C ATOM 750 CG2 VAL A 50 -17.426 4.138 2.481 1.00 1.34 C ATOM 0 H VAL A 50 -19.460 3.038 0.890 1.00 0.85 H new ATOM 0 HA VAL A 50 -19.955 5.148 2.817 1.00 0.91 H new ATOM 0 HB VAL A 50 -17.950 4.909 0.549 1.00 0.93 H new ATOM 0 HG11 VAL A 50 -16.664 6.624 1.744 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -18.254 7.223 1.214 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -17.990 6.791 2.920 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -16.354 4.279 2.345 1.00 1.34 H new ATOM 0 HG22 VAL A 50 -17.686 4.319 3.524 1.00 1.34 H new ATOM 0 HG23 VAL A 50 -17.694 3.116 2.212 1.00 1.34 H new ATOM 760 N THR A 51 -20.581 7.113 1.303 1.00 1.09 N ATOM 761 CA THR A 51 -21.326 8.145 0.603 1.00 1.16 C ATOM 762 C THR A 51 -20.716 9.509 0.915 1.00 1.19 C ATOM 763 O THR A 51 -21.160 10.190 1.836 1.00 1.28 O ATOM 764 CB THR A 51 -22.811 8.141 1.032 1.00 1.29 C ATOM 765 OG1 THR A 51 -23.366 6.829 0.854 1.00 1.51 O ATOM 766 CG2 THR A 51 -23.618 9.137 0.218 1.00 1.42 C ATOM 0 H THR A 51 -20.138 7.441 2.161 1.00 1.09 H new ATOM 0 HA THR A 51 -21.272 7.945 -0.467 1.00 1.16 H new ATOM 0 HB THR A 51 -22.859 8.427 2.083 1.00 1.29 H new ATOM 0 HG1 THR A 51 -24.208 6.895 0.357 1.00 1.51 H new ATOM 0 HG21 THR A 51 -24.659 9.113 0.541 1.00 1.42 H new ATOM 0 HG22 THR A 51 -23.215 10.139 0.366 1.00 1.42 H new ATOM 0 HG23 THR A 51 -23.560 8.875 -0.839 1.00 1.42 H new ATOM 774 N VAL A 52 -19.665 9.877 0.185 1.00 1.36 N ATOM 775 CA VAL A 52 -19.055 11.197 0.350 1.00 1.62 C ATOM 776 C VAL A 52 -20.101 12.272 0.097 1.00 1.81 C ATOM 777 O VAL A 52 -20.439 13.057 0.980 1.00 2.11 O ATOM 778 CB VAL A 52 -17.835 11.400 -0.594 1.00 1.88 C ATOM 779 CG1 VAL A 52 -18.165 11.009 -2.030 1.00 1.98 C ATOM 780 CG2 VAL A 52 -17.358 12.845 -0.542 1.00 2.27 C ATOM 0 H VAL A 52 -19.221 9.288 -0.519 1.00 1.36 H new ATOM 0 HA VAL A 52 -18.685 11.272 1.373 1.00 1.62 H new ATOM 0 HB VAL A 52 -17.036 10.747 -0.244 1.00 1.88 H new ATOM 0 HG11 VAL A 52 -17.289 11.164 -2.660 1.00 1.98 H new ATOM 0 HG12 VAL A 52 -18.455 9.959 -2.064 1.00 1.98 H new ATOM 0 HG13 VAL A 52 -18.988 11.624 -2.395 1.00 1.98 H new ATOM 0 HG21 VAL A 52 -16.504 12.970 -1.208 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -18.165 13.506 -0.858 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -17.063 13.094 0.477 1.00 2.27 H new ATOM 790 N ASN A 53 -20.603 12.274 -1.118 1.00 1.81 N ATOM 791 CA ASN A 53 -21.728 13.069 -1.502 1.00 1.99 C ATOM 792 C ASN A 53 -22.863 12.122 -1.836 1.00 1.80 C ATOM 793 O ASN A 53 -23.953 12.192 -1.270 1.00 1.82 O ATOM 794 CB ASN A 53 -21.358 13.929 -2.695 1.00 2.39 C ATOM 795 CG ASN A 53 -20.411 15.055 -2.346 1.00 3.10 C ATOM 796 OD1 ASN A 53 -20.339 15.495 -1.198 1.00 3.68 O ATOM 797 ND2 ASN A 53 -19.706 15.553 -3.344 1.00 3.42 N ATOM 0 H ASN A 53 -20.225 11.707 -1.877 1.00 1.81 H new ATOM 0 HA ASN A 53 -22.035 13.737 -0.698 1.00 1.99 H new ATOM 0 HB2 ASN A 53 -20.900 13.301 -3.459 1.00 2.39 H new ATOM 0 HB3 ASN A 53 -22.266 14.348 -3.129 1.00 2.39 H new ATOM 0 HD21 ASN A 53 -19.070 16.333 -3.180 1.00 3.42 H new ATOM 0 HD22 ASN A 53 -19.797 15.157 -4.280 1.00 3.42 H new ATOM 804 N ASP A 54 -22.560 11.213 -2.756 1.00 1.81 N ATOM 805 CA ASP A 54 -23.390 10.050 -3.040 1.00 1.82 C ATOM 806 C ASP A 54 -22.645 9.135 -4.000 1.00 2.08 C ATOM 807 O ASP A 54 -23.032 8.952 -5.153 1.00 2.23 O ATOM 808 CB ASP A 54 -24.748 10.436 -3.599 1.00 2.01 C ATOM 809 CG ASP A 54 -25.620 9.231 -3.906 1.00 2.47 C ATOM 810 OD1 ASP A 54 -25.839 8.395 -3.003 1.00 2.99 O ATOM 811 OD2 ASP A 54 -26.089 9.111 -5.060 1.00 2.69 O ATOM 0 H ASP A 54 -21.720 11.265 -3.332 1.00 1.81 H new ATOM 0 HA ASP A 54 -23.582 9.525 -2.104 1.00 1.82 H new ATOM 0 HB2 ASP A 54 -25.262 11.078 -2.883 1.00 2.01 H new ATOM 0 HB3 ASP A 54 -24.609 11.020 -4.509 1.00 2.01 H new ATOM 816 N LYS A 55 -21.533 8.605 -3.516 1.00 2.27 N ATOM 817 CA LYS A 55 -20.709 7.694 -4.296 1.00 2.75 C ATOM 818 C LYS A 55 -20.596 6.387 -3.538 1.00 1.92 C ATOM 819 O LYS A 55 -19.785 6.260 -2.620 1.00 2.45 O ATOM 820 CB LYS A 55 -19.318 8.287 -4.552 1.00 4.02 C ATOM 821 CG LYS A 55 -19.341 9.682 -5.165 1.00 5.04 C ATOM 822 CD LYS A 55 -20.137 9.727 -6.458 1.00 5.92 C ATOM 823 CE LYS A 55 -19.484 8.913 -7.568 1.00 6.66 C ATOM 824 NZ LYS A 55 -20.290 8.943 -8.817 1.00 7.36 N ATOM 0 H LYS A 55 -21.178 8.792 -2.578 1.00 2.27 H new ATOM 0 HA LYS A 55 -21.173 7.526 -5.268 1.00 2.75 H new ATOM 0 HB2 LYS A 55 -18.772 8.325 -3.610 1.00 4.02 H new ATOM 0 HB3 LYS A 55 -18.766 7.620 -5.214 1.00 4.02 H new ATOM 0 HG2 LYS A 55 -19.771 10.384 -4.451 1.00 5.04 H new ATOM 0 HG3 LYS A 55 -18.319 10.009 -5.358 1.00 5.04 H new ATOM 0 HD2 LYS A 55 -21.143 9.348 -6.276 1.00 5.92 H new ATOM 0 HD3 LYS A 55 -20.240 10.762 -6.783 1.00 5.92 H new ATOM 0 HE2 LYS A 55 -18.487 9.305 -7.769 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -19.361 7.881 -7.239 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -19.815 8.379 -9.550 1.00 7.36 H new ATOM 0 HZ2 LYS A 55 -21.233 8.546 -8.631 1.00 7.36 H new ATOM 0 HZ3 LYS A 55 -20.386 9.925 -9.145 1.00 7.36 H new ATOM 838 N LYS A 56 -21.438 5.438 -3.913 1.00 1.27 N ATOM 839 CA LYS A 56 -21.591 4.193 -3.181 1.00 1.10 C ATOM 840 C LYS A 56 -20.355 3.307 -3.302 1.00 1.03 C ATOM 841 O LYS A 56 -20.251 2.483 -4.208 1.00 1.91 O ATOM 842 CB LYS A 56 -22.829 3.453 -3.689 1.00 1.91 C ATOM 843 CG LYS A 56 -23.173 2.209 -2.894 1.00 2.63 C ATOM 844 CD LYS A 56 -24.429 1.541 -3.431 1.00 3.33 C ATOM 845 CE LYS A 56 -25.637 2.466 -3.362 1.00 3.92 C ATOM 846 NZ LYS A 56 -25.855 3.003 -1.993 1.00 4.46 N ATOM 0 H LYS A 56 -22.036 5.510 -4.736 1.00 1.27 H new ATOM 0 HA LYS A 56 -21.713 4.432 -2.125 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -23.681 4.133 -3.667 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -22.671 3.174 -4.731 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -22.340 1.507 -2.934 1.00 2.63 H new ATOM 0 HG3 LYS A 56 -23.318 2.473 -1.846 1.00 2.63 H new ATOM 0 HD2 LYS A 56 -24.264 1.235 -4.464 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -24.632 0.636 -2.859 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -25.499 3.294 -4.058 1.00 3.92 H new ATOM 0 HE3 LYS A 56 -26.526 1.924 -3.684 1.00 3.92 H new ATOM 0 HZ1 LYS A 56 -26.821 3.381 -1.918 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -25.726 2.241 -1.297 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -25.170 3.763 -1.805 1.00 4.46 H new ATOM 860 N ILE A 57 -19.415 3.494 -2.390 1.00 0.92 N ATOM 861 CA ILE A 57 -18.260 2.618 -2.288 1.00 0.72 C ATOM 862 C ILE A 57 -18.498 1.608 -1.185 1.00 0.69 C ATOM 863 O ILE A 57 -18.397 1.938 -0.003 1.00 0.80 O ATOM 864 CB ILE A 57 -16.960 3.386 -1.966 1.00 0.65 C ATOM 865 CG1 ILE A 57 -16.772 4.570 -2.912 1.00 0.73 C ATOM 866 CG2 ILE A 57 -15.761 2.446 -2.047 1.00 0.71 C ATOM 867 CD1 ILE A 57 -15.591 5.445 -2.546 1.00 0.75 C ATOM 0 H ILE A 57 -19.430 4.250 -1.706 1.00 0.92 H new ATOM 0 HA ILE A 57 -18.137 2.134 -3.257 1.00 0.72 H new ATOM 0 HB ILE A 57 -17.037 3.776 -0.951 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -16.639 4.198 -3.928 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -17.679 5.175 -2.911 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -14.850 2.998 -1.818 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -15.885 1.636 -1.328 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -15.691 2.031 -3.053 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -15.513 6.267 -3.257 1.00 0.75 H new ATOM 0 HD12 ILE A 57 -15.732 5.845 -1.542 1.00 0.75 H new ATOM 0 HD13 ILE A 57 -14.676 4.853 -2.575 1.00 0.75 H new ATOM 879 N THR A 58 -18.839 0.392 -1.558 1.00 0.71 N ATOM 880 CA THR A 58 -19.077 -0.635 -0.570 1.00 0.71 C ATOM 881 C THR A 58 -17.821 -1.450 -0.346 1.00 0.71 C ATOM 882 O THR A 58 -17.493 -2.343 -1.129 1.00 0.82 O ATOM 883 CB THR A 58 -20.224 -1.575 -0.967 1.00 0.85 C ATOM 884 OG1 THR A 58 -21.332 -0.804 -1.448 1.00 0.96 O ATOM 885 CG2 THR A 58 -20.650 -2.409 0.234 1.00 0.86 C ATOM 0 H THR A 58 -18.956 0.094 -2.527 1.00 0.71 H new ATOM 0 HA THR A 58 -19.363 -0.126 0.350 1.00 0.71 H new ATOM 0 HB THR A 58 -19.884 -2.244 -1.757 1.00 0.85 H new ATOM 0 HG1 THR A 58 -22.110 -1.388 -1.567 1.00 0.96 H new ATOM 0 HG21 THR A 58 -21.464 -3.074 -0.055 1.00 0.86 H new ATOM 0 HG22 THR A 58 -19.805 -3.002 0.584 1.00 0.86 H new ATOM 0 HG23 THR A 58 -20.987 -1.750 1.034 1.00 0.86 H new ATOM 893 N PHE A 59 -17.098 -1.107 0.701 1.00 0.67 N ATOM 894 CA PHE A 59 -15.952 -1.900 1.103 1.00 0.77 C ATOM 895 C PHE A 59 -16.405 -3.280 1.581 1.00 0.96 C ATOM 896 O PHE A 59 -17.527 -3.422 2.061 1.00 1.57 O ATOM 897 CB PHE A 59 -15.167 -1.185 2.204 1.00 0.80 C ATOM 898 CG PHE A 59 -14.628 0.156 1.789 1.00 0.72 C ATOM 899 CD1 PHE A 59 -13.603 0.251 0.863 1.00 1.07 C ATOM 900 CD2 PHE A 59 -15.147 1.318 2.326 1.00 1.04 C ATOM 901 CE1 PHE A 59 -13.107 1.484 0.479 1.00 1.10 C ATOM 902 CE2 PHE A 59 -14.655 2.554 1.950 1.00 1.06 C ATOM 903 CZ PHE A 59 -13.634 2.636 1.024 1.00 0.80 C ATOM 0 H PHE A 59 -17.281 -0.291 1.285 1.00 0.67 H new ATOM 0 HA PHE A 59 -15.298 -2.028 0.241 1.00 0.77 H new ATOM 0 HB2 PHE A 59 -15.813 -1.054 3.072 1.00 0.80 H new ATOM 0 HB3 PHE A 59 -14.337 -1.819 2.517 1.00 0.80 H new ATOM 0 HD1 PHE A 59 -13.186 -0.649 0.435 1.00 1.07 H new ATOM 0 HD2 PHE A 59 -15.947 1.260 3.049 1.00 1.04 H new ATOM 0 HE1 PHE A 59 -12.309 1.544 -0.246 1.00 1.10 H new ATOM 0 HE2 PHE A 59 -15.069 3.454 2.380 1.00 1.06 H new ATOM 0 HZ PHE A 59 -13.249 3.600 0.727 1.00 0.80 H new ATOM 913 N LEU A 60 -15.532 -4.279 1.394 1.00 1.19 N ATOM 914 CA LEU A 60 -15.728 -5.658 1.889 1.00 1.38 C ATOM 915 C LEU A 60 -17.175 -6.148 1.783 1.00 1.95 C ATOM 916 O LEU A 60 -17.951 -6.019 2.732 1.00 2.65 O ATOM 917 CB LEU A 60 -15.265 -5.799 3.348 1.00 1.84 C ATOM 918 CG LEU A 60 -13.786 -5.511 3.619 1.00 2.35 C ATOM 919 CD1 LEU A 60 -13.548 -4.022 3.801 1.00 2.89 C ATOM 920 CD2 LEU A 60 -13.314 -6.279 4.844 1.00 3.21 C ATOM 0 H LEU A 60 -14.655 -4.155 0.888 1.00 1.19 H new ATOM 0 HA LEU A 60 -15.116 -6.282 1.237 1.00 1.38 H new ATOM 0 HB2 LEU A 60 -15.863 -5.127 3.964 1.00 1.84 H new ATOM 0 HB3 LEU A 60 -15.483 -6.814 3.680 1.00 1.84 H new ATOM 0 HG LEU A 60 -13.210 -5.843 2.755 1.00 2.35 H new ATOM 0 HD11 LEU A 60 -12.490 -3.843 3.992 1.00 2.89 H new ATOM 0 HD12 LEU A 60 -13.848 -3.492 2.897 1.00 2.89 H new ATOM 0 HD13 LEU A 60 -14.135 -3.660 4.645 1.00 2.89 H new ATOM 0 HD21 LEU A 60 -12.261 -6.064 5.024 1.00 3.21 H new ATOM 0 HD22 LEU A 60 -13.900 -5.976 5.712 1.00 3.21 H new ATOM 0 HD23 LEU A 60 -13.443 -7.348 4.675 1.00 3.21 H new ATOM 932 N ASP A 61 -17.526 -6.741 0.647 1.00 2.43 N ATOM 933 CA ASP A 61 -18.862 -7.307 0.478 1.00 3.40 C ATOM 934 C ASP A 61 -19.002 -8.603 1.274 1.00 3.45 C ATOM 935 O ASP A 61 -18.897 -9.700 0.726 1.00 3.73 O ATOM 936 CB ASP A 61 -19.182 -7.555 -1.003 1.00 4.36 C ATOM 937 CG ASP A 61 -20.531 -8.230 -1.203 1.00 5.14 C ATOM 938 OD1 ASP A 61 -21.491 -7.881 -0.481 1.00 5.61 O ATOM 939 OD2 ASP A 61 -20.639 -9.108 -2.082 1.00 5.55 O ATOM 0 H ASP A 61 -16.913 -6.842 -0.162 1.00 2.43 H new ATOM 0 HA ASP A 61 -19.579 -6.581 0.860 1.00 3.40 H new ATOM 0 HB2 ASP A 61 -19.172 -6.605 -1.537 1.00 4.36 H new ATOM 0 HB3 ASP A 61 -18.400 -8.176 -1.441 1.00 4.36 H new ATOM 944 N THR A 62 -19.210 -8.452 2.579 1.00 3.65 N ATOM 945 CA THR A 62 -19.456 -9.577 3.476 1.00 4.03 C ATOM 946 C THR A 62 -18.280 -10.561 3.483 1.00 4.27 C ATOM 947 O THR A 62 -18.315 -11.599 2.814 1.00 4.71 O ATOM 948 CB THR A 62 -20.753 -10.312 3.087 1.00 4.83 C ATOM 949 OG1 THR A 62 -21.772 -9.351 2.789 1.00 5.19 O ATOM 950 CG2 THR A 62 -21.228 -11.216 4.213 1.00 5.45 C ATOM 0 H THR A 62 -19.213 -7.545 3.045 1.00 3.65 H new ATOM 0 HA THR A 62 -19.565 -9.171 4.482 1.00 4.03 H new ATOM 0 HB THR A 62 -20.550 -10.929 2.212 1.00 4.83 H new ATOM 0 HG1 THR A 62 -22.598 -9.816 2.540 1.00 5.19 H new ATOM 0 HG21 THR A 62 -22.145 -11.722 3.911 1.00 5.45 H new ATOM 0 HG22 THR A 62 -20.460 -11.957 4.433 1.00 5.45 H new ATOM 0 HG23 THR A 62 -21.420 -10.618 5.104 1.00 5.45 H new ATOM 958 N PRO A 63 -17.217 -10.241 4.239 1.00 4.49 N ATOM 959 CA PRO A 63 -16.043 -11.110 4.375 1.00 5.20 C ATOM 960 C PRO A 63 -16.376 -12.420 5.093 1.00 5.56 C ATOM 961 O PRO A 63 -16.283 -12.513 6.321 1.00 6.11 O ATOM 962 CB PRO A 63 -15.063 -10.271 5.201 1.00 5.69 C ATOM 963 CG PRO A 63 -15.916 -9.296 5.932 1.00 5.34 C ATOM 964 CD PRO A 63 -17.070 -8.997 5.020 1.00 4.58 C ATOM 0 HA PRO A 63 -15.643 -11.411 3.407 1.00 5.20 H new ATOM 0 HB2 PRO A 63 -14.494 -10.894 5.891 1.00 5.69 H new ATOM 0 HB3 PRO A 63 -14.341 -9.763 4.561 1.00 5.69 H new ATOM 0 HG2 PRO A 63 -16.263 -9.712 6.878 1.00 5.34 H new ATOM 0 HG3 PRO A 63 -15.359 -8.389 6.168 1.00 5.34 H new ATOM 0 HD2 PRO A 63 -17.976 -8.764 5.580 1.00 4.58 H new ATOM 0 HD3 PRO A 63 -16.864 -8.141 4.378 1.00 4.58 H new ATOM 972 N GLY A 64 -16.782 -13.421 4.322 1.00 5.49 N ATOM 973 CA GLY A 64 -17.132 -14.706 4.893 1.00 6.04 C ATOM 974 C GLY A 64 -15.919 -15.566 5.162 1.00 5.99 C ATOM 975 O GLY A 64 -15.385 -15.570 6.271 1.00 6.36 O ATOM 0 H GLY A 64 -16.875 -13.365 3.308 1.00 5.49 H new ATOM 0 HA2 GLY A 64 -17.678 -14.551 5.824 1.00 6.04 H new ATOM 0 HA3 GLY A 64 -17.803 -15.232 4.214 1.00 6.04 H new ATOM 979 N HIS A 65 -15.471 -16.287 4.144 1.00 5.85 N ATOM 980 CA HIS A 65 -14.333 -17.195 4.289 1.00 6.04 C ATOM 981 C HIS A 65 -13.002 -16.442 4.232 1.00 5.42 C ATOM 982 O HIS A 65 -11.944 -17.026 4.455 1.00 5.51 O ATOM 983 CB HIS A 65 -14.368 -18.297 3.213 1.00 6.53 C ATOM 984 CG HIS A 65 -14.122 -17.815 1.809 1.00 7.30 C ATOM 985 ND1 HIS A 65 -13.013 -18.175 1.075 1.00 8.05 N ATOM 986 CD2 HIS A 65 -14.859 -17.019 0.995 1.00 7.71 C ATOM 987 CE1 HIS A 65 -13.076 -17.617 -0.119 1.00 8.78 C ATOM 988 NE2 HIS A 65 -14.186 -16.911 -0.195 1.00 8.61 N ATOM 0 H HIS A 65 -15.875 -16.264 3.208 1.00 5.85 H new ATOM 0 HA HIS A 65 -14.414 -17.662 5.270 1.00 6.04 H new ATOM 0 HB2 HIS A 65 -13.620 -19.050 3.460 1.00 6.53 H new ATOM 0 HB3 HIS A 65 -15.340 -18.789 3.248 1.00 6.53 H new ATOM 0 HD1 HIS A 65 -12.260 -18.779 1.404 1.00 8.05 H new ATOM 0 HD2 HIS A 65 -15.803 -16.555 1.239 1.00 7.71 H new ATOM 0 HE1 HIS A 65 -12.341 -17.721 -0.903 1.00 8.78 H new ATOM 997 N GLU A 66 -13.072 -15.149 3.942 1.00 5.13 N ATOM 998 CA GLU A 66 -11.886 -14.311 3.825 1.00 4.83 C ATOM 999 C GLU A 66 -12.312 -12.853 3.696 1.00 4.30 C ATOM 1000 O GLU A 66 -13.453 -12.576 3.319 1.00 4.72 O ATOM 1001 CB GLU A 66 -11.050 -14.743 2.606 1.00 5.31 C ATOM 1002 CG GLU A 66 -9.803 -13.905 2.357 1.00 5.97 C ATOM 1003 CD GLU A 66 -8.841 -13.898 3.529 1.00 6.59 C ATOM 1004 OE1 GLU A 66 -8.989 -13.026 4.411 1.00 6.87 O ATOM 1005 OE2 GLU A 66 -7.931 -14.748 3.560 1.00 7.05 O ATOM 0 H GLU A 66 -13.949 -14.653 3.782 1.00 5.13 H new ATOM 0 HA GLU A 66 -11.269 -14.424 4.717 1.00 4.83 H new ATOM 0 HB2 GLU A 66 -10.751 -15.783 2.738 1.00 5.31 H new ATOM 0 HB3 GLU A 66 -11.681 -14.703 1.718 1.00 5.31 H new ATOM 0 HG2 GLU A 66 -9.288 -14.286 1.475 1.00 5.97 H new ATOM 0 HG3 GLU A 66 -10.101 -12.880 2.134 1.00 5.97 H new ATOM 1012 N ALA A 67 -11.417 -11.932 4.039 1.00 3.82 N ATOM 1013 CA ALA A 67 -11.681 -10.511 3.875 1.00 3.70 C ATOM 1014 C ALA A 67 -11.748 -10.173 2.392 1.00 2.58 C ATOM 1015 O ALA A 67 -12.603 -9.405 1.952 1.00 2.95 O ATOM 1016 CB ALA A 67 -10.609 -9.684 4.570 1.00 4.55 C ATOM 0 H ALA A 67 -10.501 -12.147 4.433 1.00 3.82 H new ATOM 0 HA ALA A 67 -12.639 -10.270 4.336 1.00 3.70 H new ATOM 0 HB1 ALA A 67 -10.824 -8.624 4.436 1.00 4.55 H new ATOM 0 HB2 ALA A 67 -10.599 -9.921 5.634 1.00 4.55 H new ATOM 0 HB3 ALA A 67 -9.635 -9.914 4.138 1.00 4.55 H new ATOM 1022 N PHE A 68 -10.820 -10.754 1.637 1.00 1.79 N ATOM 1023 CA PHE A 68 -10.823 -10.663 0.191 1.00 1.15 C ATOM 1024 C PHE A 68 -12.069 -11.324 -0.382 1.00 1.77 C ATOM 1025 O PHE A 68 -12.279 -12.525 -0.198 1.00 2.37 O ATOM 1026 CB PHE A 68 -9.594 -11.377 -0.352 1.00 1.18 C ATOM 1027 CG PHE A 68 -8.934 -10.673 -1.490 1.00 1.12 C ATOM 1028 CD1 PHE A 68 -9.612 -10.519 -2.679 1.00 1.67 C ATOM 1029 CD2 PHE A 68 -7.652 -10.165 -1.376 1.00 1.08 C ATOM 1030 CE1 PHE A 68 -9.027 -9.868 -3.747 1.00 2.10 C ATOM 1031 CE2 PHE A 68 -7.056 -9.515 -2.436 1.00 1.52 C ATOM 1032 CZ PHE A 68 -7.671 -9.371 -3.583 1.00 2.00 C ATOM 0 H PHE A 68 -10.047 -11.300 2.016 1.00 1.79 H new ATOM 0 HA PHE A 68 -10.814 -9.612 -0.097 1.00 1.15 H new ATOM 0 HB2 PHE A 68 -8.871 -11.498 0.455 1.00 1.18 H new ATOM 0 HB3 PHE A 68 -9.881 -12.378 -0.675 1.00 1.18 H new ATOM 0 HD1 PHE A 68 -10.613 -10.912 -2.777 1.00 1.67 H new ATOM 0 HD2 PHE A 68 -7.113 -10.279 -0.447 1.00 1.08 H new ATOM 0 HE1 PHE A 68 -9.561 -9.732 -4.676 1.00 2.10 H new ATOM 0 HE2 PHE A 68 -6.060 -9.116 -2.318 1.00 1.52 H new ATOM 0 HZ PHE A 68 -7.171 -8.883 -4.407 1.00 2.00 H new ATOM 1042 N THR A 69 -12.888 -10.548 -1.064 1.00 2.35 N ATOM 1043 CA THR A 69 -14.047 -11.093 -1.740 1.00 3.31 C ATOM 1044 C THR A 69 -13.606 -11.930 -2.935 1.00 3.54 C ATOM 1045 O THR A 69 -12.776 -11.496 -3.731 1.00 3.89 O ATOM 1046 CB THR A 69 -14.995 -9.971 -2.199 1.00 4.11 C ATOM 1047 OG1 THR A 69 -14.255 -8.950 -2.883 1.00 4.46 O ATOM 1048 CG2 THR A 69 -15.726 -9.363 -1.011 1.00 4.90 C ATOM 0 H THR A 69 -12.772 -9.540 -1.164 1.00 2.35 H new ATOM 0 HA THR A 69 -14.587 -11.728 -1.038 1.00 3.31 H new ATOM 0 HB THR A 69 -15.730 -10.402 -2.879 1.00 4.11 H new ATOM 0 HG1 THR A 69 -14.267 -9.127 -3.847 1.00 4.46 H new ATOM 0 HG21 THR A 69 -16.391 -8.572 -1.359 1.00 4.90 H new ATOM 0 HG22 THR A 69 -16.311 -10.134 -0.510 1.00 4.90 H new ATOM 0 HG23 THR A 69 -15.001 -8.946 -0.312 1.00 4.90 H new ATOM 1056 N THR A 70 -14.134 -13.135 -3.047 1.00 3.82 N ATOM 1057 CA THR A 70 -13.738 -14.023 -4.120 1.00 4.35 C ATOM 1058 C THR A 70 -14.652 -13.871 -5.328 1.00 4.41 C ATOM 1059 O THR A 70 -15.690 -14.527 -5.425 1.00 4.95 O ATOM 1060 CB THR A 70 -13.711 -15.490 -3.652 1.00 5.16 C ATOM 1061 OG1 THR A 70 -14.785 -15.740 -2.732 1.00 5.40 O ATOM 1062 CG2 THR A 70 -12.379 -15.817 -2.993 1.00 5.84 C ATOM 0 H THR A 70 -14.834 -13.518 -2.411 1.00 3.82 H new ATOM 0 HA THR A 70 -12.728 -13.741 -4.417 1.00 4.35 H new ATOM 0 HB THR A 70 -13.836 -16.130 -4.526 1.00 5.16 H new ATOM 0 HG1 THR A 70 -14.451 -16.265 -1.975 1.00 5.40 H new ATOM 0 HG21 THR A 70 -12.379 -16.858 -2.669 1.00 5.84 H new ATOM 0 HG22 THR A 70 -11.571 -15.659 -3.708 1.00 5.84 H new ATOM 0 HG23 THR A 70 -12.231 -15.168 -2.130 1.00 5.84 H new ATOM 1070 N MET A 71 -14.272 -12.970 -6.231 1.00 4.19 N ATOM 1071 CA MET A 71 -15.007 -12.770 -7.474 1.00 4.50 C ATOM 1072 C MET A 71 -14.899 -14.008 -8.359 1.00 4.86 C ATOM 1073 O MET A 71 -13.938 -14.173 -9.113 1.00 5.21 O ATOM 1074 CB MET A 71 -14.504 -11.530 -8.221 1.00 4.42 C ATOM 1075 CG MET A 71 -15.058 -10.215 -7.681 1.00 4.38 C ATOM 1076 SD MET A 71 -14.506 -9.836 -6.003 1.00 4.69 S ATOM 1077 CE MET A 71 -12.761 -9.532 -6.273 1.00 4.34 C ATOM 0 H MET A 71 -13.457 -12.366 -6.123 1.00 4.19 H new ATOM 0 HA MET A 71 -16.056 -12.608 -7.225 1.00 4.50 H new ATOM 0 HB2 MET A 71 -13.416 -11.503 -8.168 1.00 4.42 H new ATOM 0 HB3 MET A 71 -14.770 -11.620 -9.274 1.00 4.42 H new ATOM 0 HG2 MET A 71 -14.759 -9.404 -8.345 1.00 4.38 H new ATOM 0 HG3 MET A 71 -16.147 -10.255 -7.696 1.00 4.38 H new ATOM 0 HE1 MET A 71 -12.339 -9.034 -5.400 1.00 4.34 H new ATOM 0 HE2 MET A 71 -12.247 -10.480 -6.433 1.00 4.34 H new ATOM 0 HE3 MET A 71 -12.634 -8.897 -7.150 1.00 4.34 H new ATOM 1087 N ARG A 72 -15.907 -14.865 -8.251 1.00 5.04 N ATOM 1088 CA ARG A 72 -15.948 -16.142 -8.961 1.00 5.54 C ATOM 1089 C ARG A 72 -15.948 -15.938 -10.477 1.00 5.80 C ATOM 1090 O ARG A 72 -15.578 -16.841 -11.230 1.00 6.36 O ATOM 1091 CB ARG A 72 -17.198 -16.917 -8.528 1.00 5.95 C ATOM 1092 CG ARG A 72 -17.332 -18.296 -9.152 1.00 6.36 C ATOM 1093 CD ARG A 72 -18.607 -18.977 -8.691 1.00 6.73 C ATOM 1094 NE ARG A 72 -18.803 -20.279 -9.327 1.00 7.09 N ATOM 1095 CZ ARG A 72 -19.924 -20.988 -9.230 1.00 7.63 C ATOM 1096 NH1 ARG A 72 -20.937 -20.535 -8.503 1.00 7.86 N ATOM 1097 NH2 ARG A 72 -20.023 -22.156 -9.849 1.00 8.21 N ATOM 0 H ARG A 72 -16.725 -14.695 -7.666 1.00 5.04 H new ATOM 0 HA ARG A 72 -15.054 -16.712 -8.708 1.00 5.54 H new ATOM 0 HB2 ARG A 72 -17.187 -17.022 -7.443 1.00 5.95 H new ATOM 0 HB3 ARG A 72 -18.080 -16.330 -8.782 1.00 5.95 H new ATOM 0 HG2 ARG A 72 -17.334 -18.209 -10.239 1.00 6.36 H new ATOM 0 HG3 ARG A 72 -16.471 -18.907 -8.882 1.00 6.36 H new ATOM 0 HD2 ARG A 72 -18.577 -19.105 -7.609 1.00 6.73 H new ATOM 0 HD3 ARG A 72 -19.460 -18.335 -8.913 1.00 6.73 H new ATOM 0 HE ARG A 72 -18.036 -20.666 -9.877 1.00 7.09 H new ATOM 0 HH11 ARG A 72 -20.857 -19.642 -8.017 1.00 7.86 H new ATOM 0 HH12 ARG A 72 -21.796 -21.080 -8.430 1.00 7.86 H new ATOM 0 HH21 ARG A 72 -19.240 -22.510 -10.399 1.00 8.21 H new ATOM 0 HH22 ARG A 72 -20.882 -22.701 -9.776 1.00 8.21 H new ATOM 1111 N ALA A 73 -16.356 -14.748 -10.910 1.00 5.58 N ATOM 1112 CA ALA A 73 -16.385 -14.406 -12.330 1.00 6.01 C ATOM 1113 C ALA A 73 -15.032 -14.658 -12.991 1.00 5.86 C ATOM 1114 O ALA A 73 -14.975 -15.207 -14.089 1.00 6.36 O ATOM 1115 CB ALA A 73 -16.794 -12.951 -12.510 1.00 6.36 C ATOM 0 H ALA A 73 -16.673 -14.000 -10.294 1.00 5.58 H new ATOM 0 HA ALA A 73 -17.120 -15.048 -12.815 1.00 6.01 H new ATOM 0 HB1 ALA A 73 -16.812 -12.707 -13.572 1.00 6.36 H new ATOM 0 HB2 ALA A 73 -17.786 -12.797 -12.085 1.00 6.36 H new ATOM 0 HB3 ALA A 73 -16.077 -12.306 -12.002 1.00 6.36 H new ATOM 1121 N ARG A 74 -13.954 -14.268 -12.304 1.00 5.40 N ATOM 1122 CA ARG A 74 -12.590 -14.462 -12.803 1.00 5.50 C ATOM 1123 C ARG A 74 -12.440 -13.914 -14.223 1.00 5.18 C ATOM 1124 O ARG A 74 -12.390 -14.670 -15.196 1.00 5.49 O ATOM 1125 CB ARG A 74 -12.208 -15.948 -12.766 1.00 6.12 C ATOM 1126 CG ARG A 74 -10.783 -16.228 -13.232 1.00 6.76 C ATOM 1127 CD ARG A 74 -10.567 -17.707 -13.501 1.00 7.55 C ATOM 1128 NE ARG A 74 -11.529 -18.229 -14.471 1.00 8.14 N ATOM 1129 CZ ARG A 74 -11.315 -19.288 -15.248 1.00 8.93 C ATOM 1130 NH1 ARG A 74 -10.133 -19.893 -15.254 1.00 9.21 N ATOM 1131 NH2 ARG A 74 -12.284 -19.713 -16.049 1.00 9.65 N ATOM 0 H ARG A 74 -14.002 -13.812 -11.393 1.00 5.40 H new ATOM 0 HA ARG A 74 -11.914 -13.909 -12.150 1.00 5.50 H new ATOM 0 HB2 ARG A 74 -12.327 -16.319 -11.748 1.00 6.12 H new ATOM 0 HB3 ARG A 74 -12.902 -16.508 -13.393 1.00 6.12 H new ATOM 0 HG2 ARG A 74 -10.577 -15.658 -14.138 1.00 6.76 H new ATOM 0 HG3 ARG A 74 -10.078 -15.888 -12.474 1.00 6.76 H new ATOM 0 HD2 ARG A 74 -9.554 -17.865 -13.872 1.00 7.55 H new ATOM 0 HD3 ARG A 74 -10.654 -18.263 -12.567 1.00 7.55 H new ATOM 0 HE ARG A 74 -12.425 -17.749 -14.558 1.00 8.14 H new ATOM 0 HH11 ARG A 74 -9.380 -19.547 -14.660 1.00 9.21 H new ATOM 0 HH12 ARG A 74 -9.978 -20.704 -15.853 1.00 9.21 H new ATOM 0 HH21 ARG A 74 -13.182 -19.229 -16.065 1.00 9.65 H new ATOM 0 HH22 ARG A 74 -12.131 -20.524 -16.649 1.00 9.65 H new ATOM 1145 N GLY A 75 -12.366 -12.602 -14.340 1.00 4.93 N ATOM 1146 CA GLY A 75 -12.237 -11.992 -15.643 1.00 4.87 C ATOM 1147 C GLY A 75 -11.378 -10.751 -15.607 1.00 4.49 C ATOM 1148 O GLY A 75 -10.161 -10.831 -15.422 1.00 4.54 O ATOM 0 H GLY A 75 -12.393 -11.948 -13.558 1.00 4.93 H new ATOM 0 HA2 GLY A 75 -11.805 -12.711 -16.338 1.00 4.87 H new ATOM 0 HA3 GLY A 75 -13.226 -11.737 -16.023 1.00 4.87 H new ATOM 1152 N ALA A 76 -12.010 -9.602 -15.769 1.00 4.53 N ATOM 1153 CA ALA A 76 -11.300 -8.335 -15.749 1.00 4.52 C ATOM 1154 C ALA A 76 -10.963 -7.928 -14.320 1.00 3.91 C ATOM 1155 O ALA A 76 -11.718 -7.200 -13.673 1.00 4.15 O ATOM 1156 CB ALA A 76 -12.127 -7.256 -16.436 1.00 5.47 C ATOM 0 H ALA A 76 -13.016 -9.520 -15.916 1.00 4.53 H new ATOM 0 HA ALA A 76 -10.364 -8.454 -16.295 1.00 4.52 H new ATOM 0 HB1 ALA A 76 -11.583 -6.312 -16.414 1.00 5.47 H new ATOM 0 HB2 ALA A 76 -12.313 -7.544 -17.471 1.00 5.47 H new ATOM 0 HB3 ALA A 76 -13.078 -7.140 -15.916 1.00 5.47 H new ATOM 1162 N GLN A 77 -9.826 -8.414 -13.827 1.00 3.61 N ATOM 1163 CA GLN A 77 -9.369 -8.092 -12.479 1.00 3.40 C ATOM 1164 C GLN A 77 -8.802 -6.676 -12.406 1.00 2.90 C ATOM 1165 O GLN A 77 -7.661 -6.460 -11.997 1.00 3.33 O ATOM 1166 CB GLN A 77 -8.334 -9.118 -11.995 1.00 4.25 C ATOM 1167 CG GLN A 77 -7.240 -9.436 -13.007 1.00 4.87 C ATOM 1168 CD GLN A 77 -6.173 -10.359 -12.440 1.00 5.70 C ATOM 1169 OE1 GLN A 77 -5.014 -10.326 -12.863 1.00 6.14 O ATOM 1170 NE2 GLN A 77 -6.549 -11.185 -11.475 1.00 6.26 N ATOM 0 H GLN A 77 -9.203 -9.034 -14.344 1.00 3.61 H new ATOM 0 HA GLN A 77 -10.234 -8.137 -11.817 1.00 3.40 H new ATOM 0 HB2 GLN A 77 -7.870 -8.744 -11.082 1.00 4.25 H new ATOM 0 HB3 GLN A 77 -8.851 -10.042 -11.735 1.00 4.25 H new ATOM 0 HG2 GLN A 77 -7.687 -9.900 -13.887 1.00 4.87 H new ATOM 0 HG3 GLN A 77 -6.774 -8.508 -13.338 1.00 4.87 H new ATOM 0 HE21 GLN A 77 -7.516 -11.184 -11.151 1.00 6.26 H new ATOM 0 HE22 GLN A 77 -5.871 -11.822 -11.056 1.00 6.26 H new ATOM 1179 N VAL A 78 -9.612 -5.714 -12.818 1.00 2.65 N ATOM 1180 CA VAL A 78 -9.238 -4.311 -12.757 1.00 2.75 C ATOM 1181 C VAL A 78 -9.995 -3.623 -11.623 1.00 2.21 C ATOM 1182 O VAL A 78 -9.585 -2.577 -11.123 1.00 2.72 O ATOM 1183 CB VAL A 78 -9.516 -3.597 -14.107 1.00 3.65 C ATOM 1184 CG1 VAL A 78 -11.003 -3.600 -14.433 1.00 4.31 C ATOM 1185 CG2 VAL A 78 -8.966 -2.179 -14.103 1.00 4.21 C ATOM 0 H VAL A 78 -10.542 -5.882 -13.202 1.00 2.65 H new ATOM 0 HA VAL A 78 -8.167 -4.248 -12.563 1.00 2.75 H new ATOM 0 HB VAL A 78 -8.999 -4.155 -14.888 1.00 3.65 H new ATOM 0 HG11 VAL A 78 -11.168 -3.093 -15.384 1.00 4.31 H new ATOM 0 HG12 VAL A 78 -11.358 -4.628 -14.503 1.00 4.31 H new ATOM 0 HG13 VAL A 78 -11.549 -3.081 -13.646 1.00 4.31 H new ATOM 0 HG21 VAL A 78 -9.176 -1.705 -15.062 1.00 4.21 H new ATOM 0 HG22 VAL A 78 -9.439 -1.608 -13.304 1.00 4.21 H new ATOM 0 HG23 VAL A 78 -7.889 -2.207 -13.940 1.00 4.21 H new ATOM 1195 N THR A 79 -11.092 -4.242 -11.203 1.00 1.82 N ATOM 1196 CA THR A 79 -11.895 -3.718 -10.110 1.00 1.90 C ATOM 1197 C THR A 79 -11.442 -4.331 -8.791 1.00 1.53 C ATOM 1198 O THR A 79 -11.861 -3.908 -7.712 1.00 1.82 O ATOM 1199 CB THR A 79 -13.400 -3.998 -10.331 1.00 2.70 C ATOM 1200 OG1 THR A 79 -14.171 -3.417 -9.272 1.00 3.20 O ATOM 1201 CG2 THR A 79 -13.677 -5.496 -10.403 1.00 3.41 C ATOM 0 H THR A 79 -11.445 -5.110 -11.606 1.00 1.82 H new ATOM 0 HA THR A 79 -11.754 -2.638 -10.077 1.00 1.90 H new ATOM 0 HB THR A 79 -13.688 -3.548 -11.281 1.00 2.70 H new ATOM 0 HG1 THR A 79 -13.659 -3.452 -8.437 1.00 3.20 H new ATOM 0 HG21 THR A 79 -14.743 -5.662 -10.559 1.00 3.41 H new ATOM 0 HG22 THR A 79 -13.117 -5.930 -11.232 1.00 3.41 H new ATOM 0 HG23 THR A 79 -13.369 -5.968 -9.470 1.00 3.41 H new ATOM 1209 N ASP A 80 -10.582 -5.338 -8.898 1.00 1.21 N ATOM 1210 CA ASP A 80 -10.007 -6.001 -7.739 1.00 1.14 C ATOM 1211 C ASP A 80 -8.998 -5.074 -7.071 1.00 0.88 C ATOM 1212 O ASP A 80 -7.827 -5.048 -7.442 1.00 1.12 O ATOM 1213 CB ASP A 80 -9.318 -7.307 -8.163 1.00 1.60 C ATOM 1214 CG ASP A 80 -10.255 -8.290 -8.851 1.00 2.14 C ATOM 1215 OD1 ASP A 80 -10.834 -7.934 -9.899 1.00 2.66 O ATOM 1216 OD2 ASP A 80 -10.438 -9.410 -8.321 1.00 2.60 O ATOM 0 H ASP A 80 -10.266 -5.716 -9.791 1.00 1.21 H new ATOM 0 HA ASP A 80 -10.802 -6.239 -7.033 1.00 1.14 H new ATOM 0 HB2 ASP A 80 -8.493 -7.072 -8.835 1.00 1.60 H new ATOM 0 HB3 ASP A 80 -8.886 -7.784 -7.283 1.00 1.60 H new ATOM 1221 N ILE A 81 -9.464 -4.291 -6.106 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.618 -3.315 -5.432 1.00 0.42 C ATOM 1223 C ILE A 81 -8.626 -3.545 -3.924 1.00 0.38 C ATOM 1224 O ILE A 81 -9.688 -3.733 -3.320 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.091 -1.871 -5.726 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.089 -1.606 -7.234 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.211 -0.855 -5.004 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.653 -0.256 -7.616 1.00 0.71 C ATOM 0 H ILE A 81 -10.427 -4.314 -5.772 1.00 0.63 H new ATOM 0 HA ILE A 81 -7.605 -3.443 -5.814 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.110 -1.763 -5.355 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.067 -1.681 -7.605 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -9.667 -2.385 -7.731 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.562 0.153 -5.225 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -8.261 -1.029 -3.929 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.180 -0.962 -5.341 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -9.619 -0.141 -8.699 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.686 -0.184 -7.276 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.061 0.531 -7.148 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.445 -3.539 -3.318 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.333 -3.706 -1.878 1.00 0.28 C ATOM 1242 C VAL A 82 -6.649 -2.518 -1.233 1.00 0.23 C ATOM 1243 O VAL A 82 -5.556 -2.114 -1.629 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.591 -5.005 -1.498 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -6.134 -4.981 -0.040 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.502 -6.190 -1.732 1.00 1.17 C ATOM 0 H VAL A 82 -6.555 -3.421 -3.801 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.352 -3.774 -1.498 1.00 0.28 H new ATOM 0 HB VAL A 82 -5.703 -5.089 -2.125 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.615 -5.911 0.194 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.459 -4.140 0.116 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -7.001 -4.876 0.612 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.980 -7.109 -1.464 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -8.396 -6.088 -1.117 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.787 -6.228 -2.783 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.321 -1.955 -0.252 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.747 -0.920 0.572 1.00 0.19 C ATOM 1258 C ILE A 83 -5.947 -1.543 1.681 1.00 0.19 C ATOM 1259 O ILE A 83 -6.406 -2.460 2.350 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.816 0.012 1.164 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.407 0.832 0.035 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.226 0.915 2.248 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.362 1.920 0.483 1.00 0.37 C ATOM 0 H ILE A 83 -8.279 -2.203 -0.006 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.101 -0.314 -0.063 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.597 -0.581 1.640 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.594 1.289 -0.529 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.932 0.163 -0.647 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -8.007 1.562 2.647 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.818 0.301 3.051 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.432 1.526 1.820 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.737 2.457 -0.389 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -10.198 1.472 1.021 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.839 2.615 1.140 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.751 -1.049 1.867 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.885 -1.569 2.889 1.00 0.23 C ATOM 1277 C LEU A 84 -3.539 -0.442 3.857 1.00 0.24 C ATOM 1278 O LEU A 84 -2.845 0.511 3.502 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.652 -2.222 2.239 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.533 -2.699 3.172 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.635 -1.535 3.514 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.085 -3.348 4.438 1.00 1.01 C ATOM 0 H LEU A 84 -4.354 -0.284 1.321 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.377 -2.352 3.466 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.992 -3.078 1.656 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.223 -1.507 1.536 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.955 -3.463 2.652 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.161 -1.872 4.177 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.199 -1.131 2.600 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.218 -0.760 4.012 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.259 -3.672 5.071 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.696 -2.626 4.980 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.695 -4.210 4.169 1.00 1.01 H new ATOM 1294 N VAL A 85 -4.074 -0.537 5.056 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.875 0.463 6.077 1.00 0.27 C ATOM 1296 C VAL A 85 -2.691 0.105 6.956 1.00 0.25 C ATOM 1297 O VAL A 85 -2.729 -0.878 7.700 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.135 0.598 6.948 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.942 1.663 8.005 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.346 0.907 6.081 1.00 0.40 C ATOM 0 H VAL A 85 -4.663 -1.317 5.349 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.675 1.413 5.582 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.310 -0.351 7.455 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.845 1.743 8.610 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -4.100 1.394 8.643 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.742 2.621 7.524 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.231 1.000 6.711 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.182 1.843 5.546 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.495 0.100 5.363 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.630 0.885 6.845 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.463 0.708 7.678 1.00 0.20 C ATOM 1312 C VAL A 86 -0.172 1.960 8.479 1.00 0.17 C ATOM 1313 O VAL A 86 -0.126 3.064 7.941 1.00 0.22 O ATOM 1314 CB VAL A 86 0.784 0.347 6.853 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.782 -1.131 6.511 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.867 1.192 5.589 1.00 0.64 C ATOM 0 H VAL A 86 -1.557 1.653 6.178 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.688 -0.118 8.353 1.00 0.20 H new ATOM 0 HB VAL A 86 1.665 0.562 7.457 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.671 -1.371 5.927 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.783 -1.717 7.430 1.00 0.49 H new ATOM 0 HG13 VAL A 86 -0.109 -1.369 5.930 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.758 0.916 5.025 1.00 0.64 H new ATOM 0 HG22 VAL A 86 -0.018 1.019 4.977 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.921 2.247 5.859 1.00 0.64 H new ATOM 1326 N ALA A 87 0.001 1.784 9.770 1.00 0.17 N ATOM 1327 CA ALA A 87 0.408 2.870 10.635 1.00 0.18 C ATOM 1328 C ALA A 87 1.817 3.313 10.287 1.00 0.16 C ATOM 1329 O ALA A 87 2.694 2.476 10.090 1.00 0.24 O ATOM 1330 CB ALA A 87 0.347 2.418 12.079 1.00 0.28 C ATOM 0 H ALA A 87 -0.135 0.893 10.247 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.268 3.713 10.494 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.654 3.237 12.730 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.673 2.122 12.325 1.00 0.28 H new ATOM 0 HB3 ALA A 87 1.016 1.570 12.223 1.00 0.28 H new ATOM 1336 N ALA A 88 2.054 4.615 10.219 1.00 0.12 N ATOM 1337 CA ALA A 88 3.376 5.109 9.862 1.00 0.14 C ATOM 1338 C ALA A 88 4.301 5.024 11.050 1.00 0.16 C ATOM 1339 O ALA A 88 5.504 5.256 10.937 1.00 0.22 O ATOM 1340 CB ALA A 88 3.314 6.541 9.364 1.00 0.17 C ATOM 0 H ALA A 88 1.360 5.339 10.403 1.00 0.12 H new ATOM 0 HA ALA A 88 3.760 4.483 9.057 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.317 6.880 9.106 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.675 6.592 8.482 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.905 7.181 10.146 1.00 0.17 H new ATOM 1346 N ASP A 89 3.731 4.695 12.187 1.00 0.16 N ATOM 1347 CA ASP A 89 4.500 4.630 13.421 1.00 0.21 C ATOM 1348 C ASP A 89 4.739 3.180 13.845 1.00 0.22 C ATOM 1349 O ASP A 89 5.271 2.916 14.926 1.00 0.37 O ATOM 1350 CB ASP A 89 3.796 5.409 14.534 1.00 0.30 C ATOM 1351 CG ASP A 89 2.667 4.639 15.200 1.00 0.39 C ATOM 1352 OD1 ASP A 89 1.953 3.898 14.488 1.00 0.47 O ATOM 1353 OD2 ASP A 89 2.498 4.755 16.429 1.00 0.58 O ATOM 0 H ASP A 89 2.742 4.468 12.289 1.00 0.16 H new ATOM 0 HA ASP A 89 5.471 5.090 13.238 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.530 5.687 15.291 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.397 6.335 14.121 1.00 0.30 H new ATOM 1358 N ASP A 90 4.358 2.247 12.981 1.00 0.19 N ATOM 1359 CA ASP A 90 4.493 0.822 13.284 1.00 0.23 C ATOM 1360 C ASP A 90 4.845 0.046 12.013 1.00 0.25 C ATOM 1361 O ASP A 90 5.686 -0.850 12.031 1.00 0.42 O ATOM 1362 CB ASP A 90 3.200 0.297 13.905 1.00 0.26 C ATOM 1363 CG ASP A 90 3.384 -1.033 14.609 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.320 -1.147 15.428 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.628 -1.978 14.308 1.00 0.46 O ATOM 0 H ASP A 90 3.954 2.448 12.066 1.00 0.19 H new ATOM 0 HA ASP A 90 5.300 0.682 14.003 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.820 1.030 14.617 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.446 0.189 13.126 1.00 0.26 H new ATOM 1370 N GLY A 91 4.200 0.406 10.912 1.00 0.20 N ATOM 1371 CA GLY A 91 4.585 -0.104 9.610 1.00 0.21 C ATOM 1372 C GLY A 91 3.880 -1.384 9.220 1.00 0.22 C ATOM 1373 O GLY A 91 2.656 -1.445 9.221 1.00 0.37 O ATOM 0 H GLY A 91 3.408 1.049 10.898 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.379 0.657 8.857 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.661 -0.277 9.602 1.00 0.21 H new ATOM 1377 N VAL A 92 4.652 -2.399 8.873 1.00 0.26 N ATOM 1378 CA VAL A 92 4.090 -3.670 8.448 1.00 0.26 C ATOM 1379 C VAL A 92 4.391 -4.739 9.491 1.00 0.24 C ATOM 1380 O VAL A 92 5.494 -4.813 10.040 1.00 0.28 O ATOM 1381 CB VAL A 92 4.620 -4.091 7.060 1.00 0.32 C ATOM 1382 CG1 VAL A 92 6.057 -4.580 7.141 1.00 0.96 C ATOM 1383 CG2 VAL A 92 3.717 -5.140 6.440 1.00 1.03 C ATOM 0 H VAL A 92 5.672 -2.368 8.877 1.00 0.26 H new ATOM 0 HA VAL A 92 3.010 -3.554 8.357 1.00 0.26 H new ATOM 0 HB VAL A 92 4.612 -3.212 6.415 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.400 -4.869 6.147 1.00 0.96 H new ATOM 0 HG12 VAL A 92 6.692 -3.782 7.526 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.111 -5.441 7.808 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.107 -5.424 5.463 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.682 -6.018 7.086 1.00 1.03 H new ATOM 0 HG23 VAL A 92 2.712 -4.733 6.326 1.00 1.03 H new ATOM 1393 N MET A 93 3.388 -5.543 9.767 1.00 0.22 N ATOM 1394 CA MET A 93 3.417 -6.496 10.861 1.00 0.22 C ATOM 1395 C MET A 93 2.756 -7.798 10.392 1.00 0.22 C ATOM 1396 O MET A 93 2.288 -7.857 9.256 1.00 0.23 O ATOM 1397 CB MET A 93 2.670 -5.878 12.044 1.00 0.21 C ATOM 1398 CG MET A 93 3.214 -4.518 12.457 1.00 0.23 C ATOM 1399 SD MET A 93 4.709 -4.640 13.441 1.00 0.28 S ATOM 1400 CE MET A 93 3.986 -5.165 14.987 1.00 0.27 C ATOM 0 H MET A 93 2.519 -5.556 9.234 1.00 0.22 H new ATOM 0 HA MET A 93 4.436 -6.726 11.172 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.616 -5.777 11.786 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.726 -6.557 12.895 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.419 -3.927 11.564 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.452 -3.984 13.025 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.183 -4.416 15.754 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.910 -5.284 14.863 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.424 -6.117 15.289 1.00 0.27 H new ATOM 1410 N PRO A 94 2.712 -8.853 11.238 1.00 0.25 N ATOM 1411 CA PRO A 94 2.140 -10.161 10.869 1.00 0.30 C ATOM 1412 C PRO A 94 0.871 -10.090 10.007 1.00 0.28 C ATOM 1413 O PRO A 94 0.888 -10.494 8.841 1.00 0.31 O ATOM 1414 CB PRO A 94 1.825 -10.780 12.225 1.00 0.37 C ATOM 1415 CG PRO A 94 2.891 -10.259 13.126 1.00 0.58 C ATOM 1416 CD PRO A 94 3.247 -8.882 12.618 1.00 0.30 C ATOM 0 HA PRO A 94 2.833 -10.727 10.247 1.00 0.30 H new ATOM 0 HB2 PRO A 94 0.834 -10.491 12.573 1.00 0.37 H new ATOM 0 HB3 PRO A 94 1.841 -11.869 12.178 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.540 -10.213 14.157 1.00 0.58 H new ATOM 0 HG3 PRO A 94 3.762 -10.914 13.115 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.800 -8.102 13.235 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.325 -8.719 12.631 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.223 -9.564 10.560 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.499 -9.578 9.851 1.00 0.32 C ATOM 1426 C GLN A 95 -1.524 -8.551 8.723 1.00 0.31 C ATOM 1427 O GLN A 95 -2.356 -8.622 7.822 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.680 -9.353 10.797 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.906 -7.908 11.194 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.277 -7.687 11.820 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -5.253 -7.415 11.123 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.371 -7.779 13.142 1.00 0.34 N ATOM 0 H GLN A 95 -0.250 -9.130 11.483 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.602 -10.571 9.414 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.585 -9.731 10.322 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.523 -9.943 11.700 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.134 -7.603 11.900 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.804 -7.272 10.315 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.546 -8.006 13.697 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.268 -7.623 13.602 1.00 0.34 H new ATOM 1441 N THR A 96 -0.601 -7.608 8.775 1.00 0.26 N ATOM 1442 CA THR A 96 -0.471 -6.618 7.723 1.00 0.25 C ATOM 1443 C THR A 96 0.030 -7.288 6.466 1.00 0.25 C ATOM 1444 O THR A 96 -0.487 -7.075 5.367 1.00 0.31 O ATOM 1445 CB THR A 96 0.514 -5.520 8.110 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.683 -5.513 9.525 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.015 -4.166 7.641 1.00 0.28 C ATOM 0 H THR A 96 0.070 -7.507 9.536 1.00 0.26 H new ATOM 0 HA THR A 96 -1.451 -6.170 7.561 1.00 0.25 H new ATOM 0 HB THR A 96 1.472 -5.718 7.629 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.116 -4.678 9.799 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.731 -3.395 7.926 1.00 0.28 H new ATOM 0 HG22 THR A 96 -0.096 -4.175 6.557 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.949 -3.954 8.103 1.00 0.28 H new ATOM 1455 N VAL A 97 1.040 -8.124 6.645 1.00 0.25 N ATOM 1456 CA VAL A 97 1.634 -8.821 5.542 1.00 0.31 C ATOM 1457 C VAL A 97 0.702 -9.868 4.980 1.00 0.23 C ATOM 1458 O VAL A 97 0.591 -10.009 3.771 1.00 0.24 O ATOM 1459 CB VAL A 97 2.922 -9.539 5.916 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.557 -10.047 4.656 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.861 -8.636 6.667 1.00 1.38 C ATOM 0 H VAL A 97 1.459 -8.329 7.552 1.00 0.25 H new ATOM 0 HA VAL A 97 1.845 -8.045 4.807 1.00 0.31 H new ATOM 0 HB VAL A 97 2.694 -10.371 6.582 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.484 -10.566 4.899 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.875 -10.736 4.157 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.774 -9.208 3.994 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.770 -9.183 6.917 1.00 1.38 H new ATOM 0 HG22 VAL A 97 4.114 -7.777 6.046 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.381 -8.292 7.583 1.00 1.38 H new ATOM 1471 N GLU A 98 0.041 -10.612 5.854 1.00 0.24 N ATOM 1472 CA GLU A 98 -0.811 -11.711 5.398 1.00 0.29 C ATOM 1473 C GLU A 98 -1.923 -11.173 4.507 1.00 0.31 C ATOM 1474 O GLU A 98 -2.450 -11.883 3.646 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.391 -12.505 6.573 1.00 0.39 C ATOM 1476 CG GLU A 98 -2.362 -11.732 7.444 1.00 0.92 C ATOM 1477 CD GLU A 98 -2.958 -12.588 8.541 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -4.011 -13.216 8.307 1.00 1.97 O ATOM 1479 OE2 GLU A 98 -2.375 -12.645 9.644 1.00 2.35 O ATOM 0 H GLU A 98 0.073 -10.483 6.865 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.194 -12.398 4.819 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -1.898 -13.387 6.182 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -0.569 -12.859 7.195 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -1.848 -10.880 7.890 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -3.163 -11.331 6.823 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.251 -9.908 4.712 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.184 -9.204 3.856 1.00 0.35 C ATOM 1488 C ALA A 99 -2.564 -8.923 2.488 1.00 0.34 C ATOM 1489 O ALA A 99 -3.212 -9.099 1.456 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.621 -7.913 4.525 1.00 0.39 C ATOM 0 H ALA A 99 -1.878 -9.344 5.475 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.060 -9.834 3.699 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.323 -7.387 3.877 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.105 -8.141 5.475 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.750 -7.283 4.704 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.290 -8.535 2.478 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.606 -8.220 1.239 1.00 0.29 C ATOM 1498 C ILE A 100 -0.300 -9.507 0.493 1.00 0.29 C ATOM 1499 O ILE A 100 -0.414 -9.589 -0.731 1.00 0.34 O ATOM 1500 CB ILE A 100 0.709 -7.479 1.515 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.434 -6.134 2.191 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.474 -7.300 0.219 1.00 0.36 C ATOM 1503 CD1 ILE A 100 1.677 -5.455 2.723 1.00 0.41 C ATOM 0 H ILE A 100 -0.717 -8.433 3.316 1.00 0.28 H new ATOM 0 HA ILE A 100 -1.253 -7.579 0.640 1.00 0.29 H new ATOM 0 HB ILE A 100 1.320 -8.070 2.197 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.054 -5.471 1.476 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -0.266 -6.287 3.013 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.408 -6.773 0.417 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.693 -8.277 -0.212 1.00 0.36 H new ATOM 0 HG23 ILE A 100 0.873 -6.721 -0.482 1.00 0.36 H new ATOM 0 HD11 ILE A 100 1.403 -4.508 3.188 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.154 -6.098 3.463 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.370 -5.269 1.902 1.00 0.41 H new ATOM 1515 N ASN A 101 0.077 -10.509 1.264 1.00 0.29 N ATOM 1516 CA ASN A 101 0.376 -11.827 0.749 1.00 0.34 C ATOM 1517 C ASN A 101 -0.844 -12.431 0.080 1.00 0.36 C ATOM 1518 O ASN A 101 -0.719 -13.196 -0.868 1.00 0.43 O ATOM 1519 CB ASN A 101 0.878 -12.721 1.886 1.00 0.44 C ATOM 1520 CG ASN A 101 2.359 -12.573 2.123 1.00 0.53 C ATOM 1521 OD1 ASN A 101 3.128 -12.313 1.197 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.776 -12.724 3.364 1.00 0.64 N ATOM 0 H ASN A 101 0.185 -10.428 2.275 1.00 0.29 H new ATOM 0 HA ASN A 101 1.159 -11.746 -0.005 1.00 0.34 H new ATOM 0 HB2 ASN A 101 0.340 -12.476 2.802 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.652 -13.762 1.653 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.767 -12.626 3.585 1.00 0.64 H new ATOM 0 HD22 ASN A 101 2.108 -12.939 4.104 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.025 -12.070 0.566 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.259 -12.507 -0.060 1.00 0.43 C ATOM 1531 C HIS A 102 -3.558 -11.641 -1.286 1.00 0.37 C ATOM 1532 O HIS A 102 -4.086 -12.130 -2.286 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.426 -12.460 0.936 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.615 -13.243 0.472 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.112 -14.345 1.136 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.389 -13.088 -0.620 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -7.136 -14.834 0.464 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.327 -14.086 -0.607 1.00 1.91 N ATOM 0 H HIS A 102 -2.151 -11.479 1.388 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.138 -13.541 -0.382 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.093 -12.849 1.898 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.720 -11.423 1.096 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.288 -12.317 -1.369 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -7.719 -15.699 0.742 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -8.053 -14.228 -1.309 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.206 -10.364 -1.206 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.427 -9.436 -2.311 1.00 0.41 C ATOM 1549 C ALA A 103 -2.568 -9.798 -3.521 1.00 0.40 C ATOM 1550 O ALA A 103 -3.054 -9.835 -4.648 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.139 -8.006 -1.871 1.00 0.47 C ATOM 0 H ALA A 103 -2.766 -9.946 -0.387 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.474 -9.512 -2.605 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.309 -7.327 -2.707 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.800 -7.739 -1.046 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.102 -7.928 -1.545 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.291 -10.076 -3.284 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.374 -10.435 -4.360 1.00 0.49 C ATOM 1559 C LYS A 104 -0.683 -11.822 -4.863 1.00 0.54 C ATOM 1560 O LYS A 104 -0.535 -12.122 -6.045 1.00 0.66 O ATOM 1561 CB LYS A 104 1.056 -10.372 -3.856 1.00 0.61 C ATOM 1562 CG LYS A 104 1.414 -9.004 -3.343 1.00 0.70 C ATOM 1563 CD LYS A 104 1.424 -7.988 -4.478 1.00 0.84 C ATOM 1564 CE LYS A 104 1.612 -6.570 -3.970 1.00 0.99 C ATOM 1565 NZ LYS A 104 1.705 -5.591 -5.091 1.00 1.66 N ATOM 0 H LYS A 104 -0.867 -10.060 -2.356 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.495 -9.729 -5.182 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.192 -11.104 -3.060 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.737 -10.646 -4.662 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.698 -8.697 -2.580 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.394 -9.034 -2.867 1.00 0.70 H new ATOM 0 HD2 LYS A 104 2.225 -8.232 -5.176 1.00 0.84 H new ATOM 0 HD3 LYS A 104 0.487 -8.054 -5.032 1.00 0.84 H new ATOM 0 HE2 LYS A 104 0.778 -6.302 -3.321 1.00 0.99 H new ATOM 0 HE3 LYS A 104 2.517 -6.517 -3.365 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 1.226 -4.708 -4.821 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 2.705 -5.394 -5.297 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 1.249 -5.988 -5.937 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.108 -12.658 -3.938 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.563 -14.011 -4.270 1.00 0.61 C ATOM 1581 C ALA A 105 -2.718 -13.986 -5.271 1.00 0.62 C ATOM 1582 O ALA A 105 -2.869 -14.898 -6.086 1.00 0.77 O ATOM 1583 CB ALA A 105 -1.981 -14.768 -3.021 1.00 0.65 C ATOM 0 H ALA A 105 -1.151 -12.432 -2.944 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.721 -14.527 -4.731 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.314 -15.769 -3.296 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.133 -14.842 -2.340 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -2.796 -14.237 -2.529 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.541 -12.948 -5.199 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.662 -12.809 -6.118 1.00 0.64 C ATOM 1591 C ALA A 106 -4.264 -11.997 -7.348 1.00 0.64 C ATOM 1592 O ALA A 106 -4.933 -12.052 -8.380 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.848 -12.170 -5.416 1.00 0.68 C ATOM 0 H ALA A 106 -3.454 -12.194 -4.518 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.952 -13.805 -6.452 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.677 -12.073 -6.117 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.154 -12.794 -4.576 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.566 -11.183 -5.050 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.173 -11.239 -7.201 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.610 -10.415 -8.271 1.00 0.65 C ATOM 1601 C ASN A 107 -3.450 -9.162 -8.413 1.00 0.60 C ATOM 1602 O ASN A 107 -4.216 -8.991 -9.360 1.00 0.85 O ATOM 1603 CB ASN A 107 -2.507 -11.173 -9.590 1.00 0.85 C ATOM 1604 CG ASN A 107 -1.777 -10.413 -10.655 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -0.546 -10.401 -10.701 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -2.519 -9.810 -11.542 1.00 1.41 N ATOM 0 H ASN A 107 -2.652 -11.181 -6.326 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.589 -10.142 -8.005 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.999 -12.122 -9.417 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -3.510 -11.409 -9.945 1.00 0.85 H new ATOM 0 HD21 ASN A 107 -2.083 -9.303 -12.312 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -3.536 -9.846 -11.466 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.302 -8.294 -7.430 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.184 -7.167 -7.261 1.00 0.42 C ATOM 1615 C VAL A 108 -3.409 -5.881 -7.003 1.00 0.37 C ATOM 1616 O VAL A 108 -2.412 -5.877 -6.268 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.132 -7.447 -6.083 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.640 -6.158 -5.481 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.290 -8.326 -6.530 1.00 1.35 C ATOM 0 H VAL A 108 -2.564 -8.355 -6.728 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.752 -7.032 -8.182 1.00 0.42 H new ATOM 0 HB VAL A 108 -4.572 -7.979 -5.314 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.308 -6.383 -4.650 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.797 -5.568 -5.120 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -6.181 -5.591 -6.239 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -6.951 -8.515 -5.684 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -6.846 -7.821 -7.320 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -5.904 -9.273 -6.907 1.00 1.35 H new ATOM 1629 N PRO A 109 -3.850 -4.781 -7.633 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.356 -3.434 -7.345 1.00 0.33 C ATOM 1631 C PRO A 109 -3.779 -2.963 -5.959 1.00 0.28 C ATOM 1632 O PRO A 109 -4.896 -3.233 -5.515 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.025 -2.561 -8.408 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.530 -3.507 -9.441 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.858 -4.768 -8.706 1.00 0.40 C ATOM 0 HA PRO A 109 -2.267 -3.392 -7.363 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -4.839 -1.976 -7.980 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.316 -1.853 -8.837 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.410 -3.106 -9.943 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.778 -3.686 -10.210 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.873 -4.754 -8.309 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.779 -5.645 -9.348 1.00 0.40 H new ATOM 1643 N ILE A 110 -2.911 -2.237 -5.279 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.189 -1.864 -3.907 1.00 0.21 C ATOM 1645 C ILE A 110 -3.473 -0.367 -3.783 1.00 0.19 C ATOM 1646 O ILE A 110 -3.051 0.443 -4.609 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.010 -2.264 -2.982 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -1.805 -3.787 -2.989 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.209 -1.770 -1.558 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -2.959 -4.565 -2.388 1.00 0.60 C ATOM 0 H ILE A 110 -2.022 -1.899 -5.648 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.082 -2.405 -3.593 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.116 -1.782 -3.378 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.652 -4.118 -4.016 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -0.894 -4.024 -2.439 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.360 -2.073 -0.946 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.287 -0.683 -1.558 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.123 -2.200 -1.148 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.739 -5.632 -2.429 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -3.100 -4.264 -1.350 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -3.869 -4.360 -2.952 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.213 -0.037 -2.748 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.470 1.330 -2.342 1.00 0.18 C ATOM 1664 C ILE A 111 -4.058 1.455 -0.888 1.00 0.16 C ATOM 1665 O ILE A 111 -4.857 1.252 0.024 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.961 1.731 -2.509 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.313 1.863 -3.987 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.263 3.047 -1.790 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.762 3.120 -4.615 1.00 0.37 C ATOM 0 H ILE A 111 -4.665 -0.728 -2.149 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.899 2.004 -2.980 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.569 0.944 -2.062 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -5.929 0.996 -4.525 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.397 1.853 -4.099 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.314 3.302 -1.925 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -6.049 2.938 -0.727 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.641 3.840 -2.206 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.046 3.156 -5.667 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -6.166 3.991 -4.100 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.675 3.122 -4.533 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.789 1.711 -0.667 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.297 1.845 0.673 1.00 0.18 C ATOM 1683 C VAL A 112 -2.748 3.149 1.266 1.00 0.20 C ATOM 1684 O VAL A 112 -2.888 4.155 0.575 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.770 1.773 0.755 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.311 1.905 2.177 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.266 0.472 0.195 1.00 0.19 C ATOM 0 H VAL A 112 -2.087 1.829 -1.397 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.706 1.005 1.234 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.368 2.597 0.166 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.777 1.851 2.215 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.641 2.863 2.578 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.735 1.097 2.773 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.821 0.443 0.264 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.688 -0.357 0.764 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.566 0.385 -0.849 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.962 3.108 2.541 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.359 4.267 3.289 1.00 0.24 C ATOM 1699 C ALA A 113 -2.779 4.206 4.683 1.00 0.25 C ATOM 1700 O ALA A 113 -3.218 3.437 5.536 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.868 4.397 3.297 1.00 0.29 C ATOM 0 H ALA A 113 -2.866 2.262 3.103 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.964 5.163 2.811 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -5.154 5.280 3.868 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.230 4.493 2.274 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.307 3.511 3.755 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.748 4.998 4.871 1.00 0.24 N ATOM 1708 CA ILE A 114 -1.044 5.078 6.128 1.00 0.27 C ATOM 1709 C ILE A 114 -1.893 5.796 7.170 1.00 0.30 C ATOM 1710 O ILE A 114 -2.610 6.723 6.836 1.00 0.50 O ATOM 1711 CB ILE A 114 0.306 5.813 5.946 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.312 4.932 5.199 1.00 0.38 C ATOM 1713 CG2 ILE A 114 0.876 6.243 7.280 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.159 4.946 3.693 1.00 0.59 C ATOM 0 H ILE A 114 -1.372 5.611 4.147 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.847 4.064 6.475 1.00 0.27 H new ATOM 0 HB ILE A 114 0.118 6.706 5.350 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.321 5.258 5.452 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.211 3.906 5.553 1.00 0.38 H new ATOM 0 HG21 ILE A 114 1.824 6.757 7.122 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.176 6.917 7.774 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.039 5.366 7.906 1.00 0.44 H new ATOM 0 HD11 ILE A 114 1.911 4.296 3.245 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.164 4.589 3.425 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.292 5.963 3.323 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.804 5.370 8.417 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.536 6.008 9.506 1.00 0.22 C ATOM 1728 C ASN A 115 -1.534 6.443 10.527 1.00 0.20 C ATOM 1729 O ASN A 115 -0.348 6.108 10.433 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.600 5.053 10.095 1.00 0.33 C ATOM 1731 CG ASN A 115 -3.206 4.351 11.389 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -2.062 3.996 11.610 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.175 4.144 12.261 1.00 0.56 N ATOM 0 H ASN A 115 -1.228 4.579 8.706 1.00 0.19 H new ATOM 0 HA ASN A 115 -3.086 6.877 9.145 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.513 5.620 10.273 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.836 4.295 9.348 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.974 3.677 13.145 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -5.125 4.452 12.051 1.00 0.56 H new ATOM 1740 N LYS A 116 -2.000 7.216 11.466 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.173 7.703 12.521 1.00 0.20 C ATOM 1742 C LYS A 116 -0.124 8.689 12.027 1.00 0.21 C ATOM 1743 O LYS A 116 1.007 8.717 12.510 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.568 6.532 13.286 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.517 6.036 14.356 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.859 5.080 15.335 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.017 3.634 14.907 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.195 2.730 15.751 1.00 0.59 N ATOM 0 H LYS A 116 -2.971 7.525 11.517 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.796 8.271 13.212 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.338 5.721 12.595 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.373 6.838 13.743 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.917 6.890 14.903 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.362 5.537 13.882 1.00 0.32 H new ATOM 0 HD2 LYS A 116 0.201 5.320 15.420 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -1.296 5.216 16.324 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.066 3.345 14.975 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -0.724 3.527 13.863 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -0.638 1.790 15.787 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 0.759 2.648 15.345 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.129 3.118 16.713 1.00 0.59 H new ATOM 1762 N MET A 117 -0.528 9.509 11.065 1.00 0.21 N ATOM 1763 CA MET A 117 0.236 10.689 10.686 1.00 0.28 C ATOM 1764 C MET A 117 0.043 11.772 11.726 1.00 0.29 C ATOM 1765 O MET A 117 0.741 12.786 11.732 1.00 0.37 O ATOM 1766 CB MET A 117 -0.198 11.195 9.320 1.00 0.38 C ATOM 1767 CG MET A 117 0.412 10.395 8.201 1.00 0.48 C ATOM 1768 SD MET A 117 2.179 10.657 8.071 1.00 0.77 S ATOM 1769 CE MET A 117 2.565 9.251 7.066 1.00 0.92 C ATOM 0 H MET A 117 -1.386 9.376 10.530 1.00 0.21 H new ATOM 0 HA MET A 117 1.291 10.421 10.631 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.285 11.151 9.246 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.087 12.242 9.214 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.214 9.336 8.364 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.065 10.667 7.259 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.320 8.643 7.565 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.665 8.656 6.911 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.948 9.587 6.102 1.00 0.92 H new ATOM 1779 N ASP A 118 -0.929 11.547 12.597 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.136 12.424 13.749 1.00 0.34 C ATOM 1781 C ASP A 118 -0.030 12.177 14.757 1.00 0.33 C ATOM 1782 O ASP A 118 0.376 13.074 15.500 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.494 12.167 14.411 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.546 10.841 15.144 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.546 9.797 14.468 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.607 10.836 16.389 1.00 0.76 O ATOM 0 H ASP A 118 -1.586 10.770 12.533 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.119 13.458 13.405 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.710 12.973 15.112 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.274 12.188 13.650 1.00 0.39 H new ATOM 1791 N LYS A 119 0.461 10.949 14.757 1.00 0.23 N ATOM 1792 CA LYS A 119 1.518 10.542 15.661 1.00 0.26 C ATOM 1793 C LYS A 119 2.842 11.168 15.257 1.00 0.28 C ATOM 1794 O LYS A 119 3.185 11.212 14.077 1.00 0.26 O ATOM 1795 CB LYS A 119 1.651 9.021 15.661 1.00 0.29 C ATOM 1796 CG LYS A 119 0.461 8.299 16.271 1.00 0.36 C ATOM 1797 CD LYS A 119 0.416 8.454 17.785 1.00 0.72 C ATOM 1798 CE LYS A 119 1.649 7.863 18.464 1.00 0.87 C ATOM 1799 NZ LYS A 119 1.699 6.380 18.362 1.00 1.17 N ATOM 0 H LYS A 119 0.138 10.210 14.132 1.00 0.23 H new ATOM 0 HA LYS A 119 1.260 10.884 16.663 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.785 8.678 14.635 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.551 8.745 16.210 1.00 0.29 H new ATOM 0 HG2 LYS A 119 -0.460 8.689 15.839 1.00 0.36 H new ATOM 0 HG3 LYS A 119 0.509 7.240 16.016 1.00 0.36 H new ATOM 0 HD2 LYS A 119 0.336 9.511 18.038 1.00 0.72 H new ATOM 0 HD3 LYS A 119 -0.478 7.966 18.172 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.546 8.286 18.012 1.00 0.87 H new ATOM 0 HE3 LYS A 119 1.655 8.152 19.515 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.384 6.008 19.050 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 0.758 5.986 18.563 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.991 6.108 17.402 1.00 1.17 H new ATOM 1813 N PRO A 120 3.599 11.676 16.240 1.00 0.38 N ATOM 1814 CA PRO A 120 4.944 12.217 16.016 1.00 0.45 C ATOM 1815 C PRO A 120 5.917 11.152 15.524 1.00 0.40 C ATOM 1816 O PRO A 120 6.998 11.461 15.024 1.00 0.45 O ATOM 1817 CB PRO A 120 5.377 12.714 17.399 1.00 0.57 C ATOM 1818 CG PRO A 120 4.477 12.032 18.369 1.00 0.58 C ATOM 1819 CD PRO A 120 3.183 11.797 17.649 1.00 0.48 C ATOM 0 HA PRO A 120 4.940 12.993 15.251 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.421 12.469 17.594 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.284 13.798 17.473 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.911 11.091 18.706 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.323 12.648 19.255 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.685 10.894 18.001 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.486 12.622 17.794 1.00 0.48 H new ATOM 1827 N GLU A 121 5.516 9.897 15.679 1.00 0.35 N ATOM 1828 CA GLU A 121 6.335 8.755 15.286 1.00 0.37 C ATOM 1829 C GLU A 121 6.161 8.452 13.800 1.00 0.30 C ATOM 1830 O GLU A 121 6.866 7.610 13.248 1.00 0.37 O ATOM 1831 CB GLU A 121 5.932 7.527 16.096 1.00 0.48 C ATOM 1832 CG GLU A 121 5.520 7.837 17.525 1.00 0.62 C ATOM 1833 CD GLU A 121 6.640 8.434 18.348 1.00 1.04 C ATOM 1834 OE1 GLU A 121 7.644 7.736 18.592 1.00 1.40 O ATOM 1835 OE2 GLU A 121 6.520 9.601 18.761 1.00 1.45 O ATOM 0 H GLU A 121 4.614 9.641 16.081 1.00 0.35 H new ATOM 0 HA GLU A 121 7.379 9.001 15.478 1.00 0.37 H new ATOM 0 HB2 GLU A 121 5.106 7.027 15.591 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.767 6.826 16.113 1.00 0.48 H new ATOM 0 HG2 GLU A 121 4.678 8.529 17.512 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.173 6.921 18.004 1.00 0.62 H new ATOM 1842 N ALA A 122 5.189 9.127 13.187 1.00 0.24 N ATOM 1843 CA ALA A 122 4.894 8.985 11.758 1.00 0.22 C ATOM 1844 C ALA A 122 6.165 8.938 10.915 1.00 0.21 C ATOM 1845 O ALA A 122 6.878 9.935 10.780 1.00 0.26 O ATOM 1846 CB ALA A 122 4.000 10.131 11.297 1.00 0.27 C ATOM 0 H ALA A 122 4.581 9.790 13.667 1.00 0.24 H new ATOM 0 HA ALA A 122 4.375 8.037 11.619 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.785 10.020 10.234 1.00 0.27 H new ATOM 0 HB2 ALA A 122 3.067 10.114 11.860 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.509 11.080 11.467 1.00 0.27 H new ATOM 1852 N ASN A 123 6.444 7.764 10.366 1.00 0.21 N ATOM 1853 CA ASN A 123 7.575 7.570 9.482 1.00 0.23 C ATOM 1854 C ASN A 123 7.078 6.923 8.211 1.00 0.23 C ATOM 1855 O ASN A 123 7.258 5.725 7.988 1.00 0.25 O ATOM 1856 CB ASN A 123 8.621 6.669 10.127 1.00 0.26 C ATOM 1857 CG ASN A 123 10.009 6.937 9.646 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.983 6.767 10.377 1.00 0.95 O ATOM 1859 ND2 ASN A 123 10.123 7.349 8.417 1.00 0.52 N ATOM 0 H ASN A 123 5.890 6.922 10.523 1.00 0.21 H new ATOM 0 HA ASN A 123 8.036 8.535 9.273 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.587 6.801 11.208 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.368 5.628 9.925 1.00 0.26 H new ATOM 0 HD21 ASN A 123 11.046 7.543 8.028 1.00 0.52 H new ATOM 0 HD22 ASN A 123 9.290 7.478 7.843 1.00 0.52 H new ATOM 1866 N PRO A 124 6.449 7.720 7.362 1.00 0.25 N ATOM 1867 CA PRO A 124 5.814 7.234 6.139 1.00 0.32 C ATOM 1868 C PRO A 124 6.770 6.536 5.209 1.00 0.33 C ATOM 1869 O PRO A 124 6.597 5.364 4.904 1.00 0.35 O ATOM 1870 CB PRO A 124 5.278 8.499 5.501 1.00 0.40 C ATOM 1871 CG PRO A 124 6.043 9.617 6.121 1.00 0.32 C ATOM 1872 CD PRO A 124 6.288 9.175 7.526 1.00 0.27 C ATOM 0 HA PRO A 124 5.052 6.485 6.354 1.00 0.32 H new ATOM 0 HB2 PRO A 124 5.417 8.482 4.420 1.00 0.40 H new ATOM 0 HB3 PRO A 124 4.209 8.607 5.684 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.980 9.796 5.593 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.477 10.548 6.092 1.00 0.32 H new ATOM 0 HD2 PRO A 124 7.178 9.639 7.951 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.454 9.422 8.183 1.00 0.27 H new ATOM 1880 N ASP A 125 7.780 7.272 4.778 1.00 0.37 N ATOM 1881 CA ASP A 125 8.835 6.749 3.911 1.00 0.44 C ATOM 1882 C ASP A 125 9.340 5.400 4.399 1.00 0.34 C ATOM 1883 O ASP A 125 9.763 4.562 3.608 1.00 0.33 O ATOM 1884 CB ASP A 125 10.005 7.724 3.874 1.00 0.61 C ATOM 1885 CG ASP A 125 9.624 9.068 3.300 1.00 0.99 C ATOM 1886 OD1 ASP A 125 8.864 9.809 3.959 1.00 1.44 O ATOM 1887 OD2 ASP A 125 10.071 9.388 2.178 1.00 1.13 O ATOM 0 H ASP A 125 7.897 8.256 5.018 1.00 0.37 H new ATOM 0 HA ASP A 125 8.411 6.625 2.915 1.00 0.44 H new ATOM 0 HB2 ASP A 125 10.391 7.861 4.884 1.00 0.61 H new ATOM 0 HB3 ASP A 125 10.812 7.295 3.280 1.00 0.61 H new ATOM 1892 N ARG A 126 9.259 5.182 5.700 1.00 0.31 N ATOM 1893 CA ARG A 126 9.773 3.952 6.281 1.00 0.31 C ATOM 1894 C ARG A 126 8.780 2.829 6.046 1.00 0.27 C ATOM 1895 O ARG A 126 9.067 1.858 5.347 1.00 0.30 O ATOM 1896 CB ARG A 126 10.035 4.111 7.782 1.00 0.35 C ATOM 1897 CG ARG A 126 10.501 2.827 8.454 1.00 0.51 C ATOM 1898 CD ARG A 126 10.663 2.991 9.959 1.00 1.24 C ATOM 1899 NE ARG A 126 11.566 4.088 10.299 1.00 1.92 N ATOM 1900 CZ ARG A 126 12.813 3.931 10.735 1.00 2.94 C ATOM 1901 NH1 ARG A 126 13.315 2.715 10.923 1.00 3.49 N ATOM 1902 NH2 ARG A 126 13.552 4.997 10.999 1.00 3.79 N ATOM 0 H ARG A 126 8.847 5.832 6.369 1.00 0.31 H new ATOM 0 HA ARG A 126 10.721 3.715 5.799 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.788 4.885 7.932 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.122 4.456 8.268 1.00 0.35 H new ATOM 0 HG2 ARG A 126 9.783 2.032 8.252 1.00 0.51 H new ATOM 0 HG3 ARG A 126 11.451 2.516 8.020 1.00 0.51 H new ATOM 0 HD2 ARG A 126 9.688 3.172 10.410 1.00 1.24 H new ATOM 0 HD3 ARG A 126 11.044 2.063 10.385 1.00 1.24 H new ATOM 0 HE ARG A 126 11.216 5.040 10.195 1.00 1.92 H new ATOM 0 HH11 ARG A 126 12.743 1.892 10.733 1.00 3.49 H new ATOM 0 HH12 ARG A 126 14.272 2.605 11.258 1.00 3.49 H new ATOM 0 HH21 ARG A 126 13.165 5.931 10.868 1.00 3.79 H new ATOM 0 HH22 ARG A 126 14.509 4.884 11.334 1.00 3.79 H new ATOM 1916 N VAL A 127 7.598 3.002 6.611 1.00 0.25 N ATOM 1917 CA VAL A 127 6.551 1.984 6.555 1.00 0.28 C ATOM 1918 C VAL A 127 6.063 1.741 5.119 1.00 0.28 C ATOM 1919 O VAL A 127 5.546 0.672 4.789 1.00 0.33 O ATOM 1920 CB VAL A 127 5.383 2.373 7.488 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.952 2.748 8.840 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.534 3.521 6.940 1.00 0.44 C ATOM 0 H VAL A 127 7.333 3.845 7.120 1.00 0.25 H new ATOM 0 HA VAL A 127 6.977 1.043 6.903 1.00 0.28 H new ATOM 0 HB VAL A 127 4.718 1.513 7.568 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.140 3.026 9.512 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.492 1.898 9.256 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.634 3.591 8.727 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.731 3.746 7.641 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.159 4.404 6.808 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.107 3.231 5.980 1.00 0.44 H new ATOM 1932 N MET A 128 6.276 2.735 4.278 1.00 0.27 N ATOM 1933 CA MET A 128 5.927 2.692 2.859 1.00 0.31 C ATOM 1934 C MET A 128 6.944 1.861 2.072 1.00 0.26 C ATOM 1935 O MET A 128 6.603 1.208 1.084 1.00 0.35 O ATOM 1936 CB MET A 128 5.882 4.145 2.378 1.00 0.52 C ATOM 1937 CG MET A 128 5.766 4.366 0.892 1.00 0.81 C ATOM 1938 SD MET A 128 5.815 6.133 0.499 1.00 0.67 S ATOM 1939 CE MET A 128 4.654 6.257 -0.857 1.00 0.46 C ATOM 0 H MET A 128 6.705 3.616 4.562 1.00 0.27 H new ATOM 0 HA MET A 128 4.962 2.211 2.702 1.00 0.31 H new ATOM 0 HB2 MET A 128 5.038 4.637 2.861 1.00 0.52 H new ATOM 0 HB3 MET A 128 6.785 4.646 2.726 1.00 0.52 H new ATOM 0 HG2 MET A 128 6.579 3.852 0.379 1.00 0.81 H new ATOM 0 HG3 MET A 128 4.834 3.933 0.527 1.00 0.81 H new ATOM 0 HE1 MET A 128 5.199 6.380 -1.793 1.00 0.46 H new ATOM 0 HE2 MET A 128 4.052 5.350 -0.904 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.003 7.117 -0.701 1.00 0.46 H new ATOM 1949 N GLN A 129 8.191 1.879 2.521 1.00 0.24 N ATOM 1950 CA GLN A 129 9.231 1.061 1.898 1.00 0.27 C ATOM 1951 C GLN A 129 9.132 -0.395 2.340 1.00 0.30 C ATOM 1952 O GLN A 129 9.445 -1.298 1.566 1.00 0.33 O ATOM 1953 CB GLN A 129 10.626 1.613 2.193 1.00 0.32 C ATOM 1954 CG GLN A 129 10.984 2.821 1.346 1.00 0.42 C ATOM 1955 CD GLN A 129 12.319 3.434 1.720 1.00 0.54 C ATOM 1956 OE1 GLN A 129 13.001 4.015 0.876 1.00 1.17 O ATOM 1957 NE2 GLN A 129 12.706 3.309 2.981 1.00 1.31 N ATOM 0 H GLN A 129 8.509 2.445 3.308 1.00 0.24 H new ATOM 0 HA GLN A 129 9.069 1.102 0.821 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.686 1.886 3.247 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.363 0.828 2.024 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.007 2.528 0.296 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.203 3.574 1.450 1.00 0.42 H new ATOM 0 HE21 GLN A 129 12.112 2.820 3.651 1.00 1.31 H new ATOM 0 HE22 GLN A 129 13.598 3.702 3.282 1.00 1.31 H new ATOM 1966 N GLU A 130 8.692 -0.628 3.572 1.00 0.37 N ATOM 1967 CA GLU A 130 8.425 -1.991 4.042 1.00 0.43 C ATOM 1968 C GLU A 130 7.407 -2.630 3.108 1.00 0.36 C ATOM 1969 O GLU A 130 7.498 -3.806 2.726 1.00 0.35 O ATOM 1970 CB GLU A 130 7.840 -1.978 5.457 1.00 0.61 C ATOM 1971 CG GLU A 130 8.466 -0.956 6.386 1.00 0.63 C ATOM 1972 CD GLU A 130 9.908 -1.259 6.727 1.00 1.04 C ATOM 1973 OE1 GLU A 130 10.799 -0.911 5.931 1.00 1.64 O ATOM 1974 OE2 GLU A 130 10.153 -1.837 7.803 1.00 1.63 O ATOM 0 H GLU A 130 8.512 0.101 4.262 1.00 0.37 H new ATOM 0 HA GLU A 130 9.361 -2.549 4.053 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.769 -1.784 5.392 1.00 0.61 H new ATOM 0 HB3 GLU A 130 7.958 -2.969 5.895 1.00 0.61 H new ATOM 0 HG2 GLU A 130 8.409 0.029 5.922 1.00 0.63 H new ATOM 0 HG3 GLU A 130 7.885 -0.909 7.307 1.00 0.63 H new ATOM 1981 N LEU A 131 6.454 -1.798 2.725 1.00 0.36 N ATOM 1982 CA LEU A 131 5.374 -2.172 1.850 1.00 0.37 C ATOM 1983 C LEU A 131 5.904 -2.612 0.499 1.00 0.29 C ATOM 1984 O LEU A 131 5.451 -3.609 -0.065 1.00 0.32 O ATOM 1985 CB LEU A 131 4.452 -0.964 1.712 1.00 0.49 C ATOM 1986 CG LEU A 131 3.097 -1.094 2.397 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.239 -1.685 3.779 1.00 1.36 C ATOM 1988 CD2 LEU A 131 2.457 0.264 2.511 1.00 1.18 C ATOM 0 H LEU A 131 6.415 -0.824 3.024 1.00 0.36 H new ATOM 0 HA LEU A 131 4.824 -3.017 2.264 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.963 -0.090 2.117 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.287 -0.773 0.652 1.00 0.49 H new ATOM 0 HG LEU A 131 2.476 -1.757 1.794 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.256 -1.766 4.243 1.00 1.36 H new ATOM 0 HD12 LEU A 131 3.688 -2.675 3.707 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.875 -1.041 4.386 1.00 1.36 H new ATOM 0 HD21 LEU A 131 1.488 0.170 3.001 1.00 1.18 H new ATOM 0 HD22 LEU A 131 3.099 0.920 3.099 1.00 1.18 H new ATOM 0 HD23 LEU A 131 2.320 0.687 1.516 1.00 1.18 H new ATOM 2000 N MET A 132 6.897 -1.898 -0.005 1.00 0.25 N ATOM 2001 CA MET A 132 7.423 -2.213 -1.315 1.00 0.26 C ATOM 2002 C MET A 132 8.434 -3.353 -1.253 1.00 0.30 C ATOM 2003 O MET A 132 8.838 -3.882 -2.286 1.00 0.37 O ATOM 2004 CB MET A 132 8.011 -0.977 -2.000 1.00 0.32 C ATOM 2005 CG MET A 132 9.278 -0.426 -1.364 1.00 0.88 C ATOM 2006 SD MET A 132 10.770 -1.095 -2.119 1.00 1.60 S ATOM 2007 CE MET A 132 10.515 -0.588 -3.819 1.00 1.61 C ATOM 0 H MET A 132 7.345 -1.112 0.465 1.00 0.25 H new ATOM 0 HA MET A 132 6.586 -2.553 -1.926 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.223 -1.224 -3.040 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.256 -0.191 -2.007 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.284 0.660 -1.454 1.00 0.88 H new ATOM 0 HG3 MET A 132 9.277 -0.658 -0.299 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.476 -0.356 -4.278 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.035 -1.396 -4.371 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.878 0.296 -3.843 1.00 1.61 H new ATOM 2017 N GLU A 133 8.821 -3.752 -0.047 1.00 0.32 N ATOM 2018 CA GLU A 133 9.631 -4.945 0.121 1.00 0.40 C ATOM 2019 C GLU A 133 8.768 -6.166 -0.129 1.00 0.38 C ATOM 2020 O GLU A 133 9.253 -7.218 -0.540 1.00 0.45 O ATOM 2021 CB GLU A 133 10.234 -5.011 1.517 1.00 0.54 C ATOM 2022 CG GLU A 133 11.301 -3.966 1.775 1.00 0.79 C ATOM 2023 CD GLU A 133 12.027 -4.197 3.082 1.00 1.07 C ATOM 2024 OE1 GLU A 133 12.993 -4.979 3.096 1.00 1.67 O ATOM 2025 OE2 GLU A 133 11.640 -3.583 4.101 1.00 1.53 O ATOM 0 H GLU A 133 8.588 -3.269 0.821 1.00 0.32 H new ATOM 0 HA GLU A 133 10.453 -4.915 -0.594 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.438 -4.892 2.252 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.664 -6.001 1.670 1.00 0.54 H new ATOM 0 HG2 GLU A 133 12.020 -3.975 0.956 1.00 0.79 H new ATOM 0 HG3 GLU A 133 10.843 -2.977 1.786 1.00 0.79 H new ATOM 2032 N TYR A 134 7.477 -6.014 0.131 1.00 0.35 N ATOM 2033 CA TYR A 134 6.507 -7.026 -0.242 1.00 0.40 C ATOM 2034 C TYR A 134 6.054 -6.812 -1.682 1.00 0.41 C ATOM 2035 O TYR A 134 5.053 -7.374 -2.137 1.00 0.50 O ATOM 2036 CB TYR A 134 5.343 -7.008 0.730 1.00 0.46 C ATOM 2037 CG TYR A 134 5.782 -7.306 2.141 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.508 -8.454 2.423 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.515 -6.427 3.178 1.00 0.88 C ATOM 2040 CE1 TYR A 134 6.948 -8.723 3.702 1.00 1.08 C ATOM 2041 CE2 TYR A 134 5.961 -6.684 4.456 1.00 0.95 C ATOM 2042 CZ TYR A 134 6.675 -7.834 4.712 1.00 0.80 C ATOM 2043 OH TYR A 134 7.130 -8.092 5.985 1.00 0.95 O ATOM 0 H TYR A 134 7.080 -5.199 0.599 1.00 0.35 H new ATOM 0 HA TYR A 134 6.967 -8.013 -0.188 1.00 0.40 H new ATOM 0 HB2 TYR A 134 4.860 -6.031 0.699 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.599 -7.742 0.419 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.732 -9.149 1.627 1.00 0.98 H new ATOM 0 HD2 TYR A 134 4.950 -5.528 2.982 1.00 0.88 H new ATOM 0 HE1 TYR A 134 7.503 -9.626 3.908 1.00 1.08 H new ATOM 0 HE2 TYR A 134 5.752 -5.987 5.254 1.00 0.95 H new ATOM 0 HH TYR A 134 6.855 -7.367 6.584 1.00 0.95 H new ATOM 2053 N ASN A 135 6.816 -5.972 -2.374 1.00 0.36 N ATOM 2054 CA ASN A 135 6.681 -5.726 -3.802 1.00 0.43 C ATOM 2055 C ASN A 135 5.327 -5.119 -4.142 1.00 0.48 C ATOM 2056 O ASN A 135 4.607 -5.574 -5.035 1.00 0.64 O ATOM 2057 CB ASN A 135 6.940 -7.013 -4.596 1.00 0.58 C ATOM 2058 CG ASN A 135 7.020 -6.791 -6.088 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.381 -5.711 -6.556 1.00 0.89 O ATOM 2060 ND2 ASN A 135 6.715 -7.824 -6.845 1.00 1.10 N ATOM 0 H ASN A 135 7.565 -5.429 -1.944 1.00 0.36 H new ATOM 0 HA ASN A 135 7.435 -4.994 -4.091 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.872 -7.462 -4.252 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.145 -7.728 -4.385 1.00 0.58 H new ATOM 0 HD21 ASN A 135 6.774 -7.747 -7.860 1.00 1.10 H new ATOM 0 HD22 ASN A 135 6.420 -8.701 -6.416 1.00 1.10 H new ATOM 2067 N LEU A 136 4.972 -4.103 -3.392 1.00 0.44 N ATOM 2068 CA LEU A 136 3.896 -3.238 -3.762 1.00 0.54 C ATOM 2069 C LEU A 136 4.434 -1.811 -3.753 1.00 0.41 C ATOM 2070 O LEU A 136 4.799 -1.265 -2.714 1.00 0.47 O ATOM 2071 CB LEU A 136 2.708 -3.464 -2.824 1.00 0.78 C ATOM 2072 CG LEU A 136 2.784 -2.841 -1.438 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.080 -1.505 -1.444 1.00 1.36 C ATOM 2074 CD2 LEU A 136 2.172 -3.765 -0.405 1.00 1.17 C ATOM 0 H LEU A 136 5.425 -3.860 -2.511 1.00 0.44 H new ATOM 0 HA LEU A 136 3.520 -3.447 -4.764 1.00 0.54 H new ATOM 0 HB2 LEU A 136 1.813 -3.084 -3.316 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.573 -4.539 -2.704 1.00 0.78 H new ATOM 0 HG LEU A 136 3.830 -2.688 -1.173 1.00 0.64 H new ATOM 0 HD11 LEU A 136 2.135 -1.060 -0.450 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.561 -0.844 -2.165 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.035 -1.646 -1.721 1.00 1.36 H new ATOM 0 HD21 LEU A 136 2.236 -3.303 0.580 1.00 1.17 H new ATOM 0 HD22 LEU A 136 1.126 -3.947 -0.654 1.00 1.17 H new ATOM 0 HD23 LEU A 136 2.713 -4.711 -0.397 1.00 1.17 H new ATOM 2086 N VAL A 137 4.548 -1.237 -4.931 1.00 0.31 N ATOM 2087 CA VAL A 137 5.289 0.000 -5.090 1.00 0.27 C ATOM 2088 C VAL A 137 4.362 1.185 -5.266 1.00 0.29 C ATOM 2089 O VAL A 137 3.435 1.149 -6.077 1.00 0.33 O ATOM 2090 CB VAL A 137 6.253 -0.060 -6.289 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.016 1.251 -6.424 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.211 -1.224 -6.149 1.00 0.41 C ATOM 0 H VAL A 137 4.140 -1.603 -5.791 1.00 0.31 H new ATOM 0 HA VAL A 137 5.868 0.127 -4.175 1.00 0.27 H new ATOM 0 HB VAL A 137 5.666 -0.212 -7.195 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.693 1.192 -7.276 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.311 2.068 -6.577 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.591 1.433 -5.516 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.883 -1.247 -7.007 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.793 -1.108 -5.235 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.647 -2.156 -6.104 1.00 0.41 H new ATOM 2102 N PRO A 138 4.594 2.226 -4.465 1.00 0.34 N ATOM 2103 CA PRO A 138 3.916 3.505 -4.565 1.00 0.43 C ATOM 2104 C PRO A 138 3.806 4.002 -5.984 1.00 0.43 C ATOM 2105 O PRO A 138 4.717 3.842 -6.801 1.00 0.45 O ATOM 2106 CB PRO A 138 4.819 4.439 -3.776 1.00 0.53 C ATOM 2107 CG PRO A 138 5.457 3.578 -2.755 1.00 0.54 C ATOM 2108 CD PRO A 138 5.519 2.197 -3.332 1.00 0.39 C ATOM 0 HA PRO A 138 2.891 3.440 -4.199 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.564 4.906 -4.420 1.00 0.53 H new ATOM 0 HB3 PRO A 138 4.248 5.244 -3.313 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.456 3.941 -2.512 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.882 3.585 -1.829 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.530 1.947 -3.653 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.223 1.448 -2.598 1.00 0.39 H new ATOM 2116 N GLU A 139 2.688 4.630 -6.247 1.00 0.48 N ATOM 2117 CA GLU A 139 2.439 5.251 -7.544 1.00 0.56 C ATOM 2118 C GLU A 139 3.375 6.429 -7.730 1.00 0.56 C ATOM 2119 O GLU A 139 3.814 6.730 -8.837 1.00 0.64 O ATOM 2120 CB GLU A 139 0.988 5.711 -7.672 1.00 0.71 C ATOM 2121 CG GLU A 139 0.026 4.585 -7.982 1.00 1.35 C ATOM 2122 CD GLU A 139 0.319 3.945 -9.315 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.135 3.001 -9.362 1.00 3.08 O ATOM 2124 OE2 GLU A 139 -0.268 4.377 -10.319 1.00 2.78 O ATOM 0 H GLU A 139 1.923 4.731 -5.580 1.00 0.48 H new ATOM 0 HA GLU A 139 2.623 4.508 -8.320 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.684 6.193 -6.743 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.921 6.463 -8.458 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.085 3.831 -7.197 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -0.994 4.969 -7.980 1.00 1.35 H new ATOM 2131 N GLU A 140 3.690 7.073 -6.616 1.00 0.54 N ATOM 2132 CA GLU A 140 4.656 8.156 -6.589 1.00 0.60 C ATOM 2133 C GLU A 140 6.034 7.671 -7.038 1.00 0.56 C ATOM 2134 O GLU A 140 6.845 8.460 -7.520 1.00 0.65 O ATOM 2135 CB GLU A 140 4.736 8.780 -5.183 1.00 0.67 C ATOM 2136 CG GLU A 140 4.479 7.805 -4.046 1.00 0.63 C ATOM 2137 CD GLU A 140 3.002 7.625 -3.743 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.452 8.413 -2.947 1.00 1.27 O ATOM 2139 OE2 GLU A 140 2.386 6.698 -4.307 1.00 1.57 O ATOM 0 H GLU A 140 3.282 6.858 -5.706 1.00 0.54 H new ATOM 0 HA GLU A 140 4.321 8.922 -7.288 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.724 9.221 -5.051 1.00 0.67 H new ATOM 0 HB3 GLU A 140 4.013 9.593 -5.118 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.913 6.838 -4.299 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.988 8.158 -3.149 1.00 0.63 H new ATOM 2146 N TRP A 141 6.300 6.374 -6.884 1.00 0.47 N ATOM 2147 CA TRP A 141 7.579 5.810 -7.266 1.00 0.49 C ATOM 2148 C TRP A 141 7.471 5.065 -8.591 1.00 0.51 C ATOM 2149 O TRP A 141 8.474 4.641 -9.163 1.00 0.66 O ATOM 2150 CB TRP A 141 8.082 4.880 -6.184 1.00 0.45 C ATOM 2151 CG TRP A 141 8.198 5.516 -4.831 1.00 0.46 C ATOM 2152 CD1 TRP A 141 8.028 6.834 -4.514 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.501 4.851 -3.608 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.193 7.023 -3.167 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.487 5.818 -2.587 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.776 3.526 -3.283 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.737 5.497 -1.257 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.026 3.204 -1.963 1.00 0.50 C ATOM 2159 CH2 TRP A 141 9.003 4.185 -0.963 1.00 0.52 C ATOM 0 H TRP A 141 5.641 5.699 -6.496 1.00 0.47 H new ATOM 0 HA TRP A 141 8.289 6.627 -7.391 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.410 4.025 -6.114 1.00 0.45 H new ATOM 0 HB3 TRP A 141 9.059 4.495 -6.477 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.797 7.615 -5.223 1.00 0.54 H new ATOM 0 HE1 TRP A 141 8.110 7.914 -2.677 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.794 2.764 -4.048 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.722 6.253 -0.485 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.243 2.180 -1.698 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.199 3.902 0.061 1.00 0.52 H new ATOM 2170 N GLY A 142 6.243 4.899 -9.068 1.00 0.45 N ATOM 2171 CA GLY A 142 6.020 4.263 -10.352 1.00 0.50 C ATOM 2172 C GLY A 142 5.826 2.762 -10.250 1.00 0.45 C ATOM 2173 O GLY A 142 6.227 2.023 -11.145 1.00 0.53 O ATOM 0 H GLY A 142 5.394 5.195 -8.586 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.141 4.705 -10.821 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.868 4.470 -11.005 1.00 0.50 H new ATOM 2177 N GLY A 143 5.232 2.304 -9.156 1.00 0.39 N ATOM 2178 CA GLY A 143 4.922 0.892 -9.029 1.00 0.41 C ATOM 2179 C GLY A 143 3.524 0.574 -9.501 1.00 0.45 C ATOM 2180 O GLY A 143 3.249 0.616 -10.700 1.00 0.60 O ATOM 0 H GLY A 143 4.961 2.880 -8.359 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.640 0.310 -9.606 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.030 0.590 -7.987 1.00 0.41 H new ATOM 2184 N ASP A 144 2.642 0.253 -8.561 1.00 0.40 N ATOM 2185 CA ASP A 144 1.232 0.050 -8.879 1.00 0.45 C ATOM 2186 C ASP A 144 0.397 0.001 -7.601 1.00 0.33 C ATOM 2187 O ASP A 144 -0.236 -1.021 -7.253 1.00 0.35 O ATOM 2188 CB ASP A 144 1.029 -1.220 -9.698 1.00 0.64 C ATOM 2189 CG ASP A 144 -0.286 -1.232 -10.453 1.00 1.33 C ATOM 2190 OD1 ASP A 144 -0.340 -0.673 -11.568 1.00 1.91 O ATOM 2191 OD2 ASP A 144 -1.266 -1.825 -9.957 1.00 1.91 O ATOM 0 H ASP A 144 2.876 0.128 -7.576 1.00 0.40 H new ATOM 0 HA ASP A 144 0.899 0.895 -9.481 1.00 0.45 H new ATOM 0 HB2 ASP A 144 1.850 -1.324 -10.407 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.069 -2.084 -9.035 1.00 0.64 H new ATOM 2196 N THR A 145 0.400 1.120 -6.902 1.00 0.26 N ATOM 2197 CA THR A 145 -0.313 1.256 -5.648 1.00 0.24 C ATOM 2198 C THR A 145 -0.443 2.723 -5.266 1.00 0.27 C ATOM 2199 O THR A 145 0.561 3.391 -5.020 1.00 0.37 O ATOM 2200 CB THR A 145 0.404 0.513 -4.502 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.452 -0.898 -4.762 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.300 0.771 -3.181 1.00 0.30 C ATOM 0 H THR A 145 0.899 1.962 -7.189 1.00 0.26 H new ATOM 0 HA THR A 145 -1.300 0.816 -5.794 1.00 0.24 H new ATOM 0 HB THR A 145 1.425 0.891 -4.440 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.135 -1.112 -5.517 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.218 0.240 -2.383 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.295 1.840 -2.969 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.330 0.419 -3.243 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.666 3.230 -5.220 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.884 4.575 -4.742 1.00 0.28 C ATOM 2212 C ILE A 146 -1.647 4.616 -3.240 1.00 0.23 C ATOM 2213 O ILE A 146 -2.446 4.109 -2.449 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.303 5.084 -5.078 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.430 5.390 -6.573 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.642 6.311 -4.251 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.583 6.562 -7.026 1.00 0.63 C ATOM 0 H ILE A 146 -2.509 2.733 -5.505 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.180 5.236 -5.247 1.00 0.28 H new ATOM 0 HB ILE A 146 -4.014 4.296 -4.830 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.145 4.505 -7.142 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.475 5.596 -6.806 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.646 6.654 -4.503 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.600 6.059 -3.191 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.924 7.103 -4.464 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.723 6.721 -8.095 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.883 7.459 -6.484 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.533 6.351 -6.825 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.511 5.165 -2.866 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.144 5.303 -1.471 1.00 0.30 C ATOM 2231 C PHE A 147 -0.693 6.589 -0.881 1.00 0.32 C ATOM 2232 O PHE A 147 -0.282 7.685 -1.257 1.00 0.50 O ATOM 2233 CB PHE A 147 1.365 5.312 -1.322 1.00 0.41 C ATOM 2234 CG PHE A 147 1.976 3.965 -1.113 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.978 3.036 -2.128 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.565 3.636 0.096 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.553 1.800 -1.949 1.00 0.33 C ATOM 2238 CE2 PHE A 147 3.146 2.401 0.280 1.00 0.36 C ATOM 2239 CZ PHE A 147 3.141 1.481 -0.744 1.00 0.33 C ATOM 0 H PHE A 147 0.184 5.528 -3.519 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.570 4.453 -0.938 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.803 5.761 -2.214 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.630 5.952 -0.480 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.523 3.281 -3.076 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.569 4.355 0.902 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.544 1.079 -2.753 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.605 2.155 1.226 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.597 0.512 -0.604 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.616 6.445 0.040 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.165 7.571 0.768 1.00 0.27 C ATOM 2251 C CYS A 148 -1.533 7.649 2.153 1.00 0.31 C ATOM 2252 O CYS A 148 -1.354 6.630 2.813 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.677 7.416 0.885 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.526 7.252 -0.702 1.00 0.68 S ATOM 0 H CYS A 148 -2.010 5.543 0.308 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.944 8.493 0.230 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.896 6.539 1.494 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -4.080 8.280 1.413 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.521 8.088 -0.750 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.171 8.849 2.580 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.612 9.049 3.910 1.00 0.28 C ATOM 2262 C LYS A 149 -1.601 9.831 4.756 1.00 0.28 C ATOM 2263 O LYS A 149 -1.718 11.047 4.622 1.00 0.40 O ATOM 2264 CB LYS A 149 0.721 9.807 3.846 1.00 0.36 C ATOM 2265 CG LYS A 149 1.781 9.157 2.960 1.00 0.56 C ATOM 2266 CD LYS A 149 1.689 9.639 1.520 1.00 0.89 C ATOM 2267 CE LYS A 149 2.885 9.179 0.700 1.00 1.01 C ATOM 2268 NZ LYS A 149 2.877 9.748 -0.677 1.00 1.44 N ATOM 0 H LYS A 149 -1.254 9.701 2.025 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.425 8.072 4.356 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.532 10.817 3.482 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.119 9.901 4.856 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.772 9.381 3.355 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.664 8.074 2.989 1.00 0.56 H new ATOM 0 HD2 LYS A 149 0.771 9.264 1.068 1.00 0.89 H new ATOM 0 HD3 LYS A 149 1.632 10.727 1.503 1.00 0.89 H new ATOM 0 HE2 LYS A 149 3.805 9.472 1.207 1.00 1.01 H new ATOM 0 HE3 LYS A 149 2.886 8.091 0.641 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 2.451 9.063 -1.333 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 2.322 10.627 -0.686 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 3.853 9.952 -0.974 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.326 9.136 5.619 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.375 9.764 6.379 1.00 0.22 C ATOM 2284 C LEU A 150 -3.224 9.508 7.869 1.00 0.19 C ATOM 2285 O LEU A 150 -2.225 8.987 8.355 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.749 9.269 5.902 1.00 0.25 C ATOM 2287 CG LEU A 150 -5.052 7.783 6.065 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.814 7.498 7.348 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.820 7.264 4.860 1.00 0.84 C ATOM 0 H LEU A 150 -2.202 8.141 5.804 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.298 10.839 6.214 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.514 9.830 6.438 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.850 9.520 4.846 1.00 0.25 H new ATOM 0 HG LEU A 150 -4.099 7.258 6.130 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -6.010 6.428 7.425 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.220 7.821 8.203 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.760 8.040 7.338 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -6.029 6.202 4.991 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.759 7.809 4.765 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -5.224 7.408 3.959 1.00 0.84 H new ATOM 2301 N SER A 151 -4.259 9.884 8.562 1.00 0.26 N ATOM 2302 CA SER A 151 -4.423 9.643 9.970 1.00 0.29 C ATOM 2303 C SER A 151 -5.875 9.878 10.257 1.00 0.25 C ATOM 2304 O SER A 151 -6.341 11.016 10.218 1.00 0.29 O ATOM 2305 CB SER A 151 -3.570 10.554 10.830 1.00 0.46 C ATOM 2306 OG SER A 151 -3.102 9.837 11.948 1.00 1.77 O ATOM 0 H SER A 151 -5.044 10.387 8.148 1.00 0.26 H new ATOM 0 HA SER A 151 -4.103 8.629 10.211 1.00 0.29 H new ATOM 0 HB2 SER A 151 -2.729 10.937 10.251 1.00 0.46 H new ATOM 0 HB3 SER A 151 -4.152 11.416 11.155 1.00 0.46 H new ATOM 0 HG SER A 151 -3.442 10.252 12.768 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.606 8.811 10.483 1.00 0.28 N ATOM 2313 CA ALA A 152 -8.028 8.936 10.749 1.00 0.31 C ATOM 2314 C ALA A 152 -8.224 9.642 12.070 1.00 0.33 C ATOM 2315 O ALA A 152 -9.307 10.123 12.389 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.697 7.585 10.741 1.00 0.41 C ATOM 0 H ALA A 152 -6.249 7.856 10.489 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.494 9.527 9.961 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.761 7.705 10.943 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.563 7.118 9.765 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -8.251 6.954 11.509 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.140 9.689 12.826 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.078 10.483 14.030 1.00 0.34 C ATOM 2324 C LYS A 153 -7.246 11.967 13.701 1.00 0.36 C ATOM 2325 O LYS A 153 -8.145 12.622 14.223 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.744 10.251 14.704 1.00 0.35 C ATOM 2327 CG LYS A 153 -5.803 10.184 16.213 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.244 11.501 16.828 1.00 1.12 C ATOM 2329 CE LYS A 153 -5.757 11.632 18.258 1.00 1.65 C ATOM 2330 NZ LYS A 153 -4.283 11.795 18.317 1.00 2.30 N ATOM 0 H LYS A 153 -6.283 9.177 12.618 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.886 10.187 14.699 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.320 9.320 14.329 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.062 11.051 14.416 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.493 9.395 16.513 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -4.821 9.914 16.602 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -5.859 12.329 16.233 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.332 11.570 16.804 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -6.238 12.488 18.730 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -6.050 10.749 18.826 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -3.895 11.179 19.060 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -3.868 11.534 17.400 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -4.052 12.786 18.533 1.00 2.30 H new ATOM 2344 N THR A 154 -6.392 12.492 12.818 1.00 0.30 N ATOM 2345 CA THR A 154 -6.440 13.910 12.489 1.00 0.39 C ATOM 2346 C THR A 154 -7.468 14.220 11.408 1.00 0.36 C ATOM 2347 O THR A 154 -7.772 15.385 11.137 1.00 0.41 O ATOM 2348 CB THR A 154 -5.060 14.429 12.065 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.358 13.408 11.341 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.247 14.858 13.276 1.00 0.70 C ATOM 0 H THR A 154 -5.671 11.962 12.327 1.00 0.30 H new ATOM 0 HA THR A 154 -6.748 14.426 13.398 1.00 0.39 H new ATOM 0 HB THR A 154 -5.201 15.298 11.422 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.586 13.803 10.884 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.273 15.222 12.950 1.00 0.70 H new ATOM 0 HG22 THR A 154 -4.773 15.653 13.804 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.111 14.007 13.943 1.00 0.70 H new ATOM 2358 N LYS A 155 -7.990 13.158 10.793 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.044 13.264 9.786 1.00 0.32 C ATOM 2360 C LYS A 155 -8.560 14.055 8.590 1.00 0.34 C ATOM 2361 O LYS A 155 -9.198 15.008 8.148 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.306 13.902 10.362 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.128 12.954 11.208 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.510 11.713 10.420 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.616 10.941 11.119 1.00 0.61 C ATOM 2366 NZ LYS A 155 -13.808 11.794 11.375 1.00 1.36 N ATOM 0 H LYS A 155 -7.693 12.200 10.980 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.294 12.253 9.465 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.025 14.765 10.966 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -10.922 14.273 9.543 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.561 12.667 12.094 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.029 13.460 11.556 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.838 11.999 9.421 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.636 11.073 10.298 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -12.905 10.086 10.508 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.242 10.545 12.063 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -14.657 11.196 11.429 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -13.684 12.302 12.274 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -13.916 12.480 10.601 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.427 13.644 8.073 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.822 14.336 6.940 1.00 0.33 C ATOM 2382 C GLU A 156 -6.917 13.489 5.684 1.00 0.28 C ATOM 2383 O GLU A 156 -7.621 13.815 4.723 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.353 14.634 7.235 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.120 15.129 8.647 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.670 15.452 8.925 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.253 16.594 8.646 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -2.950 14.571 9.446 1.00 2.48 O ATOM 0 H GLU A 156 -6.901 12.838 8.411 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.362 15.269 6.781 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -4.765 13.731 7.071 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -4.991 15.382 6.530 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -5.725 16.019 8.819 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -5.460 14.371 9.353 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.215 12.377 5.726 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.081 11.537 4.570 1.00 0.28 C ATOM 2397 C GLY A 157 -7.341 10.776 4.206 1.00 0.27 C ATOM 2398 O GLY A 157 -7.385 10.151 3.158 1.00 0.29 O ATOM 0 H GLY A 157 -5.728 12.038 6.556 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.783 12.152 3.721 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.276 10.823 4.745 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.362 10.804 5.066 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.605 10.107 4.765 1.00 0.28 C ATOM 2404 C LEU A 158 -10.349 10.854 3.676 1.00 0.30 C ATOM 2405 O LEU A 158 -10.922 10.250 2.769 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.474 9.970 6.015 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.956 8.991 7.072 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.934 8.893 8.228 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.715 7.620 6.459 1.00 0.80 C ATOM 0 H LEU A 158 -8.350 11.294 5.960 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.370 9.101 4.416 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.577 10.953 6.474 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.472 9.654 5.710 1.00 0.31 H new ATOM 0 HG LEU A 158 -9.007 9.367 7.454 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.551 8.193 8.970 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.057 9.875 8.685 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.898 8.540 7.860 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.347 6.938 7.226 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.649 7.235 6.049 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.976 7.703 5.662 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.312 12.179 3.764 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.850 13.021 2.708 1.00 0.38 C ATOM 2423 C ASP A 159 -10.054 12.804 1.430 1.00 0.32 C ATOM 2424 O ASP A 159 -10.616 12.630 0.349 1.00 0.33 O ATOM 2425 CB ASP A 159 -10.811 14.508 3.095 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.792 14.867 4.194 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -12.981 15.092 3.894 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -11.376 14.935 5.371 1.00 2.20 O ATOM 0 H ASP A 159 -9.916 12.689 4.553 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.892 12.742 2.551 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -9.803 14.766 3.419 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -11.027 15.112 2.213 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.731 12.772 1.564 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.858 12.582 0.415 1.00 0.30 C ATOM 2435 C HIS A 160 -7.933 11.144 -0.112 1.00 0.28 C ATOM 2436 O HIS A 160 -7.524 10.862 -1.240 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.422 12.945 0.792 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.447 12.835 -0.340 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.548 13.573 -1.496 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.356 12.055 -0.486 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.558 13.253 -2.308 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.819 12.332 -1.718 1.00 0.54 N ATOM 0 H HIS A 160 -8.244 12.875 2.454 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.194 13.241 -0.386 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.405 13.966 1.174 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.095 12.295 1.604 1.00 0.34 H new ATOM 0 HD1 HIS A 160 -6.275 14.261 -1.695 1.00 0.52 H new ATOM 0 HD2 HIS A 160 -3.976 11.345 0.233 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -4.383 13.673 -3.287 1.00 0.58 H new ATOM 2451 N LEU A 161 -8.478 10.246 0.698 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.578 8.842 0.329 1.00 0.28 C ATOM 2453 C LEU A 161 -9.619 8.674 -0.758 1.00 0.29 C ATOM 2454 O LEU A 161 -9.346 8.117 -1.822 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.959 7.993 1.541 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.952 6.480 1.314 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.556 5.998 0.949 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.465 5.754 2.546 1.00 1.16 C ATOM 0 H LEU A 161 -8.859 10.467 1.618 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.608 8.509 -0.039 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -8.272 8.224 2.355 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.955 8.289 1.871 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.618 6.255 0.481 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.573 4.920 0.792 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -7.228 6.493 0.035 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.866 6.236 1.758 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -9.453 4.679 2.366 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.826 5.987 3.398 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.485 6.075 2.759 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.806 9.187 -0.486 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.904 9.124 -1.428 1.00 0.37 C ATOM 2472 C LEU A 162 -11.561 9.893 -2.705 1.00 0.38 C ATOM 2473 O LEU A 162 -12.058 9.565 -3.778 1.00 0.45 O ATOM 2474 CB LEU A 162 -13.190 9.644 -0.767 1.00 0.47 C ATOM 2475 CG LEU A 162 -13.153 11.083 -0.231 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.485 12.083 -1.328 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -14.107 11.235 0.946 1.00 1.51 C ATOM 0 H LEU A 162 -11.033 9.656 0.391 1.00 0.31 H new ATOM 0 HA LEU A 162 -12.075 8.087 -1.716 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -14.000 9.571 -1.493 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.442 8.979 0.059 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.141 11.292 0.115 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.452 13.094 -0.921 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -12.758 11.992 -2.135 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.484 11.880 -1.715 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -14.069 12.260 1.315 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -15.122 11.002 0.624 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.813 10.552 1.743 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.697 10.902 -2.587 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.203 11.625 -3.756 1.00 0.44 C ATOM 2491 C GLU A 163 -9.425 10.683 -4.665 1.00 0.41 C ATOM 2492 O GLU A 163 -9.657 10.629 -5.873 1.00 0.50 O ATOM 2493 CB GLU A 163 -9.295 12.786 -3.345 1.00 0.56 C ATOM 2494 CG GLU A 163 -9.963 13.814 -2.453 1.00 1.03 C ATOM 2495 CD GLU A 163 -9.052 14.989 -2.153 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -7.861 14.765 -1.852 1.00 2.57 O ATOM 2497 OE2 GLU A 163 -9.519 16.141 -2.241 1.00 2.14 O ATOM 0 H GLU A 163 -10.327 11.235 -1.697 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.066 12.025 -4.288 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.423 12.385 -2.828 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -8.931 13.284 -4.244 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -10.872 14.175 -2.934 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -10.263 13.341 -1.518 1.00 1.03 H new ATOM 2504 N MET A 164 -8.505 9.929 -4.069 1.00 0.37 N ATOM 2505 CA MET A 164 -7.668 8.998 -4.818 1.00 0.39 C ATOM 2506 C MET A 164 -8.503 7.849 -5.363 1.00 0.37 C ATOM 2507 O MET A 164 -8.339 7.440 -6.513 1.00 0.43 O ATOM 2508 CB MET A 164 -6.543 8.455 -3.938 1.00 0.43 C ATOM 2509 CG MET A 164 -5.567 9.513 -3.438 1.00 0.64 C ATOM 2510 SD MET A 164 -4.555 10.247 -4.747 1.00 0.58 S ATOM 2511 CE MET A 164 -5.687 11.431 -5.478 1.00 0.53 C ATOM 0 H MET A 164 -8.320 9.945 -3.066 1.00 0.37 H new ATOM 0 HA MET A 164 -7.226 9.539 -5.655 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.983 7.949 -3.079 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.989 7.704 -4.501 1.00 0.43 H new ATOM 0 HG2 MET A 164 -6.127 10.303 -2.938 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.911 9.065 -2.692 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.171 12.378 -5.636 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.045 11.049 -6.434 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.533 11.586 -4.809 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.398 7.338 -4.531 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.310 6.276 -4.939 1.00 0.38 C ATOM 2523 C ILE A 165 -11.169 6.729 -6.119 1.00 0.44 C ATOM 2524 O ILE A 165 -11.397 5.974 -7.062 1.00 0.52 O ATOM 2525 CB ILE A 165 -11.228 5.853 -3.775 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -10.399 5.254 -2.634 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -12.279 4.862 -4.256 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -11.219 4.892 -1.413 1.00 0.50 C ATOM 0 H ILE A 165 -9.514 7.642 -3.564 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.704 5.421 -5.238 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.742 6.737 -3.399 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.889 4.361 -2.996 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.627 5.967 -2.344 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.918 4.575 -3.421 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.886 5.324 -5.034 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.787 3.976 -4.658 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.566 4.474 -0.647 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.708 5.786 -1.025 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.974 4.155 -1.687 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.640 7.967 -6.054 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.452 8.539 -7.120 1.00 0.57 C ATOM 2542 C LEU A 166 -11.644 8.706 -8.397 1.00 0.61 C ATOM 2543 O LEU A 166 -12.151 8.469 -9.491 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.027 9.887 -6.681 1.00 0.66 C ATOM 2545 CG LEU A 166 -13.453 10.810 -7.818 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -14.936 11.135 -7.728 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -12.620 12.079 -7.799 1.00 1.38 C ATOM 0 H LEU A 166 -11.473 8.598 -5.270 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.272 7.851 -7.325 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -13.889 9.705 -6.039 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -12.282 10.402 -6.075 1.00 0.66 H new ATOM 0 HG LEU A 166 -13.283 10.296 -8.764 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -15.214 11.795 -8.550 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -15.515 10.213 -7.790 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -15.143 11.630 -6.779 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -12.932 12.731 -8.615 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -12.762 12.593 -6.849 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -11.567 11.825 -7.920 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.399 9.121 -8.254 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.483 9.195 -9.385 1.00 0.64 C ATOM 2561 C LEU A 167 -9.436 7.850 -10.090 1.00 0.66 C ATOM 2562 O LEU A 167 -9.482 7.767 -11.317 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.081 9.571 -8.909 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.075 9.908 -10.015 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -7.529 11.131 -10.794 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -5.692 10.126 -9.425 1.00 1.51 C ATOM 0 H LEU A 167 -9.995 9.414 -7.364 1.00 0.56 H new ATOM 0 HA LEU A 167 -9.838 9.960 -10.076 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.161 10.429 -8.242 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.683 8.745 -8.320 1.00 0.64 H new ATOM 0 HG LEU A 167 -7.023 9.066 -10.705 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.802 11.355 -11.575 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -8.500 10.933 -11.248 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.611 11.983 -10.119 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -4.989 10.364 -10.223 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -5.726 10.951 -8.713 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -5.367 9.219 -8.914 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.357 6.803 -9.286 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.394 5.444 -9.786 1.00 0.69 C ATOM 2580 C VAL A 168 -10.769 5.119 -10.373 1.00 0.77 C ATOM 2581 O VAL A 168 -10.865 4.515 -11.438 1.00 0.89 O ATOM 2582 CB VAL A 168 -9.048 4.439 -8.672 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.118 3.023 -9.197 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.667 4.726 -8.103 1.00 0.66 C ATOM 0 H VAL A 168 -9.266 6.873 -8.273 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.647 5.360 -10.575 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.780 4.548 -7.872 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.871 2.326 -8.397 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.126 2.818 -9.558 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.408 2.903 -10.015 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.440 4.005 -7.317 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.923 4.645 -8.895 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.647 5.734 -7.688 1.00 0.66 H new ATOM 2594 N SER A 169 -11.831 5.532 -9.679 1.00 0.74 N ATOM 2595 CA SER A 169 -13.188 5.305 -10.163 1.00 0.87 C ATOM 2596 C SER A 169 -13.414 5.955 -11.534 1.00 0.96 C ATOM 2597 O SER A 169 -14.074 5.383 -12.398 1.00 1.12 O ATOM 2598 CB SER A 169 -14.202 5.847 -9.153 1.00 0.88 C ATOM 2599 OG SER A 169 -13.999 5.281 -7.868 1.00 1.35 O ATOM 0 H SER A 169 -11.776 6.022 -8.786 1.00 0.74 H new ATOM 0 HA SER A 169 -13.327 4.230 -10.276 1.00 0.87 H new ATOM 0 HB2 SER A 169 -14.115 6.932 -9.093 1.00 0.88 H new ATOM 0 HB3 SER A 169 -15.213 5.626 -9.495 1.00 0.88 H new ATOM 0 HG SER A 169 -13.129 5.567 -7.518 1.00 1.35 H new ATOM 2605 N GLU A 170 -12.855 7.146 -11.733 1.00 0.96 N ATOM 2606 CA GLU A 170 -13.037 7.871 -12.986 1.00 1.11 C ATOM 2607 C GLU A 170 -11.993 7.442 -14.021 1.00 1.17 C ATOM 2608 O GLU A 170 -12.084 7.790 -15.201 1.00 1.37 O ATOM 2609 CB GLU A 170 -12.962 9.383 -12.727 1.00 1.26 C ATOM 2610 CG GLU A 170 -13.296 10.232 -13.942 1.00 1.84 C ATOM 2611 CD GLU A 170 -13.411 11.706 -13.620 1.00 2.19 C ATOM 2612 OE1 GLU A 170 -12.363 12.363 -13.446 1.00 2.56 O ATOM 2613 OE2 GLU A 170 -14.546 12.212 -13.511 1.00 2.73 O ATOM 0 H GLU A 170 -12.275 7.627 -11.046 1.00 0.96 H new ATOM 0 HA GLU A 170 -14.021 7.632 -13.390 1.00 1.11 H new ATOM 0 HB2 GLU A 170 -13.647 9.638 -11.918 1.00 1.26 H new ATOM 0 HB3 GLU A 170 -11.958 9.634 -12.385 1.00 1.26 H new ATOM 0 HG2 GLU A 170 -12.526 10.090 -14.700 1.00 1.84 H new ATOM 0 HG3 GLU A 170 -14.235 9.886 -14.373 1.00 1.84 H new ATOM 2620 N MET A 171 -11.024 6.648 -13.584 1.00 1.11 N ATOM 2621 CA MET A 171 -9.924 6.226 -14.444 1.00 1.28 C ATOM 2622 C MET A 171 -10.404 5.281 -15.549 1.00 1.54 C ATOM 2623 O MET A 171 -9.669 5.002 -16.495 1.00 1.88 O ATOM 2624 CB MET A 171 -8.815 5.563 -13.616 1.00 1.31 C ATOM 2625 CG MET A 171 -7.549 5.270 -14.406 1.00 1.43 C ATOM 2626 SD MET A 171 -6.227 4.592 -13.385 1.00 1.66 S ATOM 2627 CE MET A 171 -5.927 5.952 -12.256 1.00 1.68 C ATOM 0 H MET A 171 -10.977 6.281 -12.633 1.00 1.11 H new ATOM 0 HA MET A 171 -9.519 7.118 -14.922 1.00 1.28 H new ATOM 0 HB2 MET A 171 -8.566 6.211 -12.776 1.00 1.31 H new ATOM 0 HB3 MET A 171 -9.195 4.631 -13.198 1.00 1.31 H new ATOM 0 HG2 MET A 171 -7.780 4.567 -15.206 1.00 1.43 H new ATOM 0 HG3 MET A 171 -7.201 6.188 -14.879 1.00 1.43 H new ATOM 0 HE1 MET A 171 -4.862 6.011 -12.032 1.00 1.68 H new ATOM 0 HE2 MET A 171 -6.253 6.885 -12.716 1.00 1.68 H new ATOM 0 HE3 MET A 171 -6.484 5.788 -11.333 1.00 1.68 H new ATOM 2637 N GLU A 172 -11.640 4.801 -15.435 1.00 1.62 N ATOM 2638 CA GLU A 172 -12.241 3.975 -16.484 1.00 2.07 C ATOM 2639 C GLU A 172 -12.220 4.709 -17.819 1.00 2.05 C ATOM 2640 O GLU A 172 -12.033 4.103 -18.873 1.00 2.58 O ATOM 2641 CB GLU A 172 -13.687 3.625 -16.148 1.00 2.47 C ATOM 2642 CG GLU A 172 -13.869 2.836 -14.868 1.00 3.01 C ATOM 2643 CD GLU A 172 -15.305 2.402 -14.684 1.00 3.71 C ATOM 2644 OE1 GLU A 172 -16.158 3.262 -14.379 1.00 4.27 O ATOM 2645 OE2 GLU A 172 -15.584 1.192 -14.796 1.00 4.04 O ATOM 0 H GLU A 172 -12.245 4.968 -14.631 1.00 1.62 H new ATOM 0 HA GLU A 172 -11.654 3.059 -16.552 1.00 2.07 H new ATOM 0 HB2 GLU A 172 -14.262 4.548 -16.074 1.00 2.47 H new ATOM 0 HB3 GLU A 172 -14.109 3.053 -16.974 1.00 2.47 H new ATOM 0 HG2 GLU A 172 -13.222 1.959 -14.885 1.00 3.01 H new ATOM 0 HG3 GLU A 172 -13.560 3.444 -14.018 1.00 3.01 H new ATOM 2652 N GLU A 173 -12.426 6.019 -17.760 1.00 1.85 N ATOM 2653 CA GLU A 173 -12.439 6.848 -18.955 1.00 2.28 C ATOM 2654 C GLU A 173 -11.252 7.808 -18.946 1.00 2.77 C ATOM 2655 O GLU A 173 -10.914 8.409 -19.963 1.00 3.47 O ATOM 2656 CB GLU A 173 -13.754 7.629 -19.029 1.00 2.50 C ATOM 2657 CG GLU A 173 -14.983 6.739 -18.946 1.00 2.86 C ATOM 2658 CD GLU A 173 -16.273 7.525 -18.914 1.00 3.41 C ATOM 2659 OE1 GLU A 173 -16.692 7.949 -17.819 1.00 3.91 O ATOM 2660 OE2 GLU A 173 -16.879 7.727 -19.986 1.00 3.82 O ATOM 0 H GLU A 173 -12.587 6.530 -16.892 1.00 1.85 H new ATOM 0 HA GLU A 173 -12.358 6.207 -19.833 1.00 2.28 H new ATOM 0 HB2 GLU A 173 -13.784 8.356 -18.217 1.00 2.50 H new ATOM 0 HB3 GLU A 173 -13.783 8.192 -19.962 1.00 2.50 H new ATOM 0 HG2 GLU A 173 -14.995 6.063 -19.801 1.00 2.86 H new ATOM 0 HG3 GLU A 173 -14.918 6.120 -18.052 1.00 2.86 H new ATOM 2667 N LEU A 174 -10.621 7.933 -17.786 1.00 2.83 N ATOM 2668 CA LEU A 174 -9.476 8.821 -17.615 1.00 3.69 C ATOM 2669 C LEU A 174 -8.206 8.002 -17.373 1.00 3.89 C ATOM 2670 O LEU A 174 -7.439 8.281 -16.451 1.00 4.73 O ATOM 2671 CB LEU A 174 -9.737 9.774 -16.443 1.00 4.31 C ATOM 2672 CG LEU A 174 -8.746 10.934 -16.297 1.00 4.98 C ATOM 2673 CD1 LEU A 174 -8.805 11.840 -17.513 1.00 5.48 C ATOM 2674 CD2 LEU A 174 -9.035 11.725 -15.029 1.00 5.72 C ATOM 0 H LEU A 174 -10.885 7.426 -16.941 1.00 2.83 H new ATOM 0 HA LEU A 174 -9.335 9.409 -18.522 1.00 3.69 H new ATOM 0 HB2 LEU A 174 -10.739 10.188 -16.552 1.00 4.31 H new ATOM 0 HB3 LEU A 174 -9.729 9.195 -15.519 1.00 4.31 H new ATOM 0 HG LEU A 174 -7.740 10.521 -16.224 1.00 4.98 H new ATOM 0 HD11 LEU A 174 -8.095 12.658 -17.392 1.00 5.48 H new ATOM 0 HD12 LEU A 174 -8.551 11.268 -18.406 1.00 5.48 H new ATOM 0 HD13 LEU A 174 -9.811 12.246 -17.616 1.00 5.48 H new ATOM 0 HD21 LEU A 174 -8.322 12.545 -14.941 1.00 5.72 H new ATOM 0 HD22 LEU A 174 -10.047 12.127 -15.074 1.00 5.72 H new ATOM 0 HD23 LEU A 174 -8.943 11.070 -14.163 1.00 5.72 H new ATOM 2686 N LYS A 175 -8.015 6.966 -18.188 1.00 3.42 N ATOM 2687 CA LYS A 175 -6.878 6.064 -18.048 1.00 3.88 C ATOM 2688 C LYS A 175 -5.549 6.816 -18.099 1.00 4.00 C ATOM 2689 O LYS A 175 -5.210 7.418 -19.119 1.00 4.36 O ATOM 2690 CB LYS A 175 -6.907 5.002 -19.151 1.00 4.27 C ATOM 2691 CG LYS A 175 -8.210 4.220 -19.226 1.00 4.29 C ATOM 2692 CD LYS A 175 -9.245 4.892 -20.116 1.00 4.24 C ATOM 2693 CE LYS A 175 -8.859 4.833 -21.588 1.00 4.99 C ATOM 2694 NZ LYS A 175 -8.720 3.435 -22.077 1.00 5.49 N ATOM 0 H LYS A 175 -8.641 6.731 -18.958 1.00 3.42 H new ATOM 0 HA LYS A 175 -6.960 5.585 -17.072 1.00 3.88 H new ATOM 0 HB2 LYS A 175 -6.730 5.486 -20.111 1.00 4.27 H new ATOM 0 HB3 LYS A 175 -6.085 4.304 -18.990 1.00 4.27 H new ATOM 0 HG2 LYS A 175 -8.007 3.218 -19.604 1.00 4.29 H new ATOM 0 HG3 LYS A 175 -8.619 4.105 -18.222 1.00 4.29 H new ATOM 0 HD2 LYS A 175 -10.212 4.409 -19.975 1.00 4.24 H new ATOM 0 HD3 LYS A 175 -9.362 5.933 -19.814 1.00 4.24 H new ATOM 0 HE2 LYS A 175 -9.614 5.350 -22.181 1.00 4.99 H new ATOM 0 HE3 LYS A 175 -7.918 5.363 -21.737 1.00 4.99 H new ATOM 0 HZ1 LYS A 175 -8.744 3.427 -23.117 1.00 5.49 H new ATOM 0 HZ2 LYS A 175 -7.816 3.041 -21.748 1.00 5.49 H new ATOM 0 HZ3 LYS A 175 -9.503 2.859 -21.708 1.00 5.49 H new ATOM 2708 N ALA A 176 -4.812 6.762 -16.989 1.00 4.26 N ATOM 2709 CA ALA A 176 -3.478 7.357 -16.889 1.00 4.89 C ATOM 2710 C ALA A 176 -3.505 8.868 -17.113 1.00 5.36 C ATOM 2711 O ALA A 176 -3.204 9.350 -18.209 1.00 5.78 O ATOM 2712 CB ALA A 176 -2.520 6.685 -17.860 1.00 5.48 C ATOM 0 H ALA A 176 -5.123 6.304 -16.132 1.00 4.26 H new ATOM 0 HA ALA A 176 -3.122 7.189 -15.872 1.00 4.89 H new ATOM 0 HB1 ALA A 176 -1.534 7.140 -17.772 1.00 5.48 H new ATOM 0 HB2 ALA A 176 -2.452 5.622 -17.627 1.00 5.48 H new ATOM 0 HB3 ALA A 176 -2.887 6.810 -18.879 1.00 5.48 H new ATOM 2718 N ASN A 177 -3.862 9.602 -16.071 1.00 5.66 N ATOM 2719 CA ASN A 177 -3.876 11.062 -16.124 1.00 6.40 C ATOM 2720 C ASN A 177 -2.456 11.607 -15.993 1.00 6.79 C ATOM 2721 O ASN A 177 -1.746 11.271 -15.041 1.00 6.94 O ATOM 2722 CB ASN A 177 -4.760 11.628 -15.004 1.00 6.79 C ATOM 2723 CG ASN A 177 -4.854 13.144 -15.035 1.00 7.41 C ATOM 2724 OD1 ASN A 177 -5.716 13.708 -15.706 1.00 7.72 O ATOM 2725 ND2 ASN A 177 -3.980 13.816 -14.301 1.00 7.88 N ATOM 0 H ASN A 177 -4.148 9.212 -15.173 1.00 5.66 H new ATOM 0 HA ASN A 177 -4.287 11.371 -17.085 1.00 6.40 H new ATOM 0 HB2 ASN A 177 -5.761 11.205 -15.089 1.00 6.79 H new ATOM 0 HB3 ASN A 177 -4.362 11.313 -14.039 1.00 6.79 H new ATOM 0 HD21 ASN A 177 -4.009 14.835 -14.280 1.00 7.88 H new ATOM 0 HD22 ASN A 177 -3.278 13.314 -13.757 1.00 7.88 H new ATOM 2732 N PRO A 178 -2.017 12.432 -16.959 1.00 7.29 N ATOM 2733 CA PRO A 178 -0.677 13.021 -16.952 1.00 8.00 C ATOM 2734 C PRO A 178 -0.543 14.130 -15.908 1.00 8.71 C ATOM 2735 O PRO A 178 -0.820 15.300 -16.237 1.00 9.19 O ATOM 2736 CB PRO A 178 -0.514 13.595 -18.372 1.00 8.54 C ATOM 2737 CG PRO A 178 -1.702 13.117 -19.145 1.00 8.16 C ATOM 2738 CD PRO A 178 -2.781 12.853 -18.136 1.00 7.54 C ATOM 2739 OXT PRO A 178 -0.156 13.826 -14.763 1.00 9.00 O ATOM 0 HA PRO A 178 0.086 12.286 -16.694 1.00 8.00 H new ATOM 0 HB2 PRO A 178 -0.474 14.684 -18.351 1.00 8.54 H new ATOM 0 HB3 PRO A 178 0.414 13.250 -18.829 1.00 8.54 H new ATOM 0 HG2 PRO A 178 -2.022 13.866 -19.870 1.00 8.16 H new ATOM 0 HG3 PRO A 178 -1.464 12.213 -19.705 1.00 8.16 H new ATOM 0 HD2 PRO A 178 -3.377 13.744 -17.936 1.00 7.54 H new ATOM 0 HD3 PRO A 178 -3.470 12.078 -18.472 1.00 7.54 H new TER 2747 PRO A 178 HETATM 2748 PB GDP A 179 -8.197 -2.676 15.852 1.00 0.68 P HETATM 2749 O1B GDP A 179 -6.741 -2.559 16.161 1.00 1.61 O HETATM 2750 O2B GDP A 179 -8.672 -4.115 15.720 1.00 1.63 O HETATM 2751 O3B GDP A 179 -8.686 -1.744 14.731 1.00 1.65 O HETATM 2752 O3A GDP A 179 -8.940 -2.139 17.243 1.00 0.68 O HETATM 2753 PA GDP A 179 -9.610 -0.765 17.588 1.00 0.75 P HETATM 2754 O1A GDP A 179 -10.001 -0.702 19.017 1.00 0.87 O HETATM 2755 O2A GDP A 179 -10.645 -0.364 16.563 1.00 0.88 O HETATM 2756 O5' GDP A 179 -8.379 0.248 17.361 1.00 0.69 O HETATM 2757 C5' GDP A 179 -7.138 0.055 18.039 1.00 0.65 C HETATM 2758 C4' GDP A 179 -6.391 1.363 18.169 1.00 0.66 C HETATM 2759 O4' GDP A 179 -6.185 1.935 16.856 1.00 0.63 O HETATM 2760 C3' GDP A 179 -7.100 2.464 18.955 1.00 0.75 C HETATM 2761 O3' GDP A 179 -6.582 2.552 20.276 1.00 0.96 O HETATM 2762 C2' GDP A 179 -6.846 3.755 18.167 1.00 0.75 C HETATM 2763 O2' GDP A 179 -6.198 4.733 18.958 1.00 0.95 O HETATM 2764 C1' GDP A 179 -5.890 3.298 17.069 1.00 0.62 C HETATM 2765 N9 GDP A 179 -6.025 4.029 15.812 1.00 0.55 N HETATM 2766 C8 GDP A 179 -6.746 3.663 14.705 1.00 0.62 C HETATM 2767 N7 GDP A 179 -6.639 4.502 13.713 1.00 0.61 N HETATM 2768 C5 GDP A 179 -5.793 5.492 14.196 1.00 0.49 C HETATM 2769 C6 GDP A 179 -5.306 6.668 13.570 1.00 0.45 C HETATM 2770 O6 GDP A 179 -5.531 7.088 12.425 1.00 0.55 O HETATM 2771 N1 GDP A 179 -4.465 7.395 14.411 1.00 0.37 N HETATM 2772 C2 GDP A 179 -4.148 7.027 15.700 1.00 0.40 C HETATM 2773 N2 GDP A 179 -3.341 7.857 16.379 1.00 0.46 N HETATM 2774 N3 GDP A 179 -4.594 5.933 16.292 1.00 0.45 N HETATM 2775 C4 GDP A 179 -5.405 5.215 15.488 1.00 0.46 C HETATM 0 HO3' GDP A 179 -7.069 3.242 20.773 1.00 0.96 H new HETATM 0 HO2' GDP A 179 -5.791 4.304 19.740 1.00 0.95 H new HETATM 0 HN22 GDP A 179 -3.072 7.636 17.338 1.00 0.46 H new HETATM 0 HN21 GDP A 179 -2.996 8.709 15.936 1.00 0.46 H new HETATM 0 H5'' GDP A 179 -7.320 -0.366 19.028 1.00 0.65 H new HETATM 0 HN1 GDP A 179 -4.057 8.257 14.048 1.00 0.37 H new HETATM 0 H8 GDP A 179 -7.351 2.757 14.659 1.00 0.62 H new HETATM 0 H5' GDP A 179 -6.528 -0.665 17.494 1.00 0.65 H new HETATM 0 H4' GDP A 179 -5.482 1.083 18.702 1.00 0.66 H new HETATM 0 H3' GDP A 179 -8.167 2.268 19.061 1.00 0.75 H new HETATM 0 H2' GDP A 179 -7.771 4.208 17.811 1.00 0.75 H new HETATM 0 H1' GDP A 179 -4.865 3.481 17.392 1.00 0.62 H new