USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1227 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 SER OG : rot 180:sc= 0.652 USER MOD Set 1.2: A 124 SER OG : rot -132:sc= 0.869 USER MOD Set 2.1: A 99 ASN : amide:sc= 0.0736 K(o=0.25,f=-1.9) USER MOD Set 2.2: A 101 TYR OH : rot -124:sc= 0.176 USER MOD Set 3.1: A 28 GLN : amide:sc= 0 X(o=0.16,f=0.036) USER MOD Set 3.2: A 34 CYS SG : rot -28:sc= 0.155 USER MOD Set 4.1: A 15 THR OG1 : rot -50:sc= 0.149 USER MOD Set 4.2: A 63 LYS NZ :NH3+ -163:sc= 0.0267 (180deg=-0.335) USER MOD Single : A 1 ALA N :NH3+ -165:sc= -0.394 (180deg=-1.07) USER MOD Single : A 3 SER OG : rot 180:sc= 0.116 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 13 THR OG1 : rot 12:sc= 1.3 USER MOD Single : A 21 ASN : amide:sc= -0.474 K(o=-0.47,f=-2.2!) USER MOD Single : A 24 ASN : amide:sc= -0.579 K(o=-0.58,f=-9.5!) USER MOD Single : A 25 SER OG : rot 36:sc= 0.294 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 130:sc= -0.0428 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 67 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-3.5!) USER MOD Single : A 72 ASN : amide:sc= -0.104 K(o=-0.1,f=-3.9!) USER MOD Single : A 74 ASN : amide:sc=-0.00942 K(o=-0.0094,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 0.146 (180deg=0.0184) USER MOD Single : A 84 GLN : amide:sc= -4.77! C(o=-4.8!,f=-5.5!) USER MOD Single : A 89 TYR OH : rot -174:sc= 0.437 USER MOD Single : A 91 SER OG : rot 72:sc= 0.741 USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= 1.11 (180deg=-0.271) USER MOD Single : A 97 ASN : amide:sc= -0.0524 K(o=-0.052,f=-0.62) USER MOD Single : A 100 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 153:sc= 0.856 (180deg=-0.056) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 54:sc= 0.194 USER MOD Single : A 115 SER OG : rot 63:sc= 1.28 USER MOD Single : A 117 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.8!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 126 ASN : amide:sc= 0.486 X(o=0.49,f=0) USER MOD Single : A 127 HIS : no HD1:sc=-0.00121 X(o=-0.0012,f=0) USER MOD Single : A 130 THR OG1 : rot 77:sc= 0.642 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -66:sc= 0.802 USER MOD Single : A 142 TYR OH : rot -113:sc= 0.114 USER MOD Single : A 143 CYS SG : rot 180:sc= -0.0668 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 MET CE :methyl 152:sc= -0.155 (180deg=-0.772) USER MOD Single : A 151 THR OG1 : rot 84:sc= 0.676 USER MOD Single : A 153 LYS NZ :NH3+ 151:sc= 0.041 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.122 -10.083 9.009 1.00 2.04 N ATOM 2 CA ALA A 1 -13.688 -10.336 7.631 1.00 1.85 C ATOM 3 C ALA A 1 -14.853 -10.892 6.806 1.00 1.85 C ATOM 4 O ALA A 1 -15.055 -12.101 6.807 1.00 2.41 O ATOM 5 CB ALA A 1 -12.521 -11.325 7.640 1.00 2.50 C ATOM 0 H1 ALA A 1 -13.423 -9.481 9.488 1.00 2.04 H new ATOM 0 H2 ALA A 1 -15.044 -9.602 9.000 1.00 2.04 H new ATOM 0 H3 ALA A 1 -14.207 -10.986 9.517 1.00 2.04 H new ATOM 0 HA ALA A 1 -13.360 -9.401 7.176 1.00 1.85 H new ATOM 0 HB1 ALA A 1 -12.197 -11.515 6.617 1.00 2.50 H new ATOM 0 HB2 ALA A 1 -11.693 -10.905 8.211 1.00 2.50 H new ATOM 0 HB3 ALA A 1 -12.841 -12.261 8.099 1.00 2.50 H new ATOM 11 N PRO A 2 -15.659 -10.048 6.143 1.00 2.64 N ATOM 12 CA PRO A 2 -16.828 -10.511 5.408 1.00 3.49 C ATOM 13 C PRO A 2 -16.475 -11.023 4.012 1.00 2.85 C ATOM 14 O PRO A 2 -16.706 -12.191 3.713 1.00 3.30 O ATOM 15 CB PRO A 2 -17.779 -9.320 5.351 1.00 5.02 C ATOM 16 CG PRO A 2 -16.863 -8.107 5.463 1.00 5.05 C ATOM 17 CD PRO A 2 -15.620 -8.598 6.210 1.00 3.78 C ATOM 0 HA PRO A 2 -17.286 -11.365 5.907 1.00 3.49 H new ATOM 0 HB2 PRO A 2 -18.346 -9.307 4.420 1.00 5.02 H new ATOM 0 HB3 PRO A 2 -18.503 -9.349 6.165 1.00 5.02 H new ATOM 0 HG2 PRO A 2 -16.601 -7.721 4.478 1.00 5.05 H new ATOM 0 HG3 PRO A 2 -17.351 -7.296 6.004 1.00 5.05 H new ATOM 0 HD2 PRO A 2 -14.711 -8.211 5.751 1.00 3.78 H new ATOM 0 HD3 PRO A 2 -15.626 -8.255 7.245 1.00 3.78 H new ATOM 25 N SER A 3 -15.965 -10.168 3.122 1.00 2.03 N ATOM 26 CA SER A 3 -15.586 -10.605 1.786 1.00 1.78 C ATOM 27 C SER A 3 -14.512 -9.662 1.265 1.00 1.51 C ATOM 28 O SER A 3 -13.982 -8.869 2.043 1.00 1.62 O ATOM 29 CB SER A 3 -16.815 -10.636 0.870 1.00 2.35 C ATOM 30 OG SER A 3 -16.537 -11.395 -0.291 1.00 3.42 O ATOM 0 H SER A 3 -15.808 -9.177 3.305 1.00 2.03 H new ATOM 0 HA SER A 3 -15.185 -11.618 1.811 1.00 1.78 H new ATOM 0 HB2 SER A 3 -17.663 -11.067 1.401 1.00 2.35 H new ATOM 0 HB3 SER A 3 -17.096 -9.620 0.591 1.00 2.35 H new ATOM 0 HG SER A 3 -17.328 -11.410 -0.869 1.00 3.42 H new ATOM 36 N TYR A 4 -14.147 -9.772 -0.014 1.00 1.27 N ATOM 37 CA TYR A 4 -13.044 -9.041 -0.592 1.00 1.08 C ATOM 38 C TYR A 4 -13.506 -8.514 -1.946 1.00 1.00 C ATOM 39 O TYR A 4 -14.157 -9.245 -2.692 1.00 1.14 O ATOM 40 CB TYR A 4 -11.842 -9.987 -0.763 1.00 1.09 C ATOM 41 CG TYR A 4 -11.782 -11.218 0.138 1.00 1.34 C ATOM 42 CD1 TYR A 4 -11.736 -12.501 -0.438 1.00 1.96 C ATOM 43 CD2 TYR A 4 -11.767 -11.098 1.541 1.00 2.37 C ATOM 44 CE1 TYR A 4 -11.651 -13.653 0.361 1.00 2.22 C ATOM 45 CE2 TYR A 4 -11.707 -12.245 2.355 1.00 2.67 C ATOM 46 CZ TYR A 4 -11.635 -13.526 1.769 1.00 2.08 C ATOM 47 OH TYR A 4 -11.548 -14.629 2.563 1.00 2.49 O ATOM 0 H TYR A 4 -14.623 -10.383 -0.677 1.00 1.27 H new ATOM 0 HA TYR A 4 -12.739 -8.213 0.048 1.00 1.08 H new ATOM 0 HB2 TYR A 4 -11.826 -10.327 -1.799 1.00 1.09 H new ATOM 0 HB3 TYR A 4 -10.932 -9.408 -0.603 1.00 1.09 H new ATOM 0 HD1 TYR A 4 -11.767 -12.602 -1.513 1.00 1.96 H new ATOM 0 HD2 TYR A 4 -11.802 -10.119 1.996 1.00 2.37 H new ATOM 0 HE1 TYR A 4 -11.598 -14.630 -0.097 1.00 2.22 H new ATOM 0 HE2 TYR A 4 -11.716 -12.144 3.430 1.00 2.67 H new ATOM 0 HH TYR A 4 -11.549 -14.356 3.504 1.00 2.49 H new ATOM 57 N HIS A 5 -13.162 -7.274 -2.291 1.00 0.94 N ATOM 58 CA HIS A 5 -13.592 -6.668 -3.543 1.00 0.93 C ATOM 59 C HIS A 5 -12.381 -6.018 -4.203 1.00 0.87 C ATOM 60 O HIS A 5 -11.545 -5.443 -3.516 1.00 1.11 O ATOM 61 CB HIS A 5 -14.707 -5.650 -3.260 1.00 1.07 C ATOM 62 CG HIS A 5 -15.491 -5.242 -4.485 1.00 1.11 C ATOM 63 ND1 HIS A 5 -16.830 -5.480 -4.699 1.00 1.73 N ATOM 64 CD2 HIS A 5 -15.016 -4.566 -5.576 1.00 0.85 C ATOM 65 CE1 HIS A 5 -17.146 -4.966 -5.902 1.00 1.71 C ATOM 66 NE2 HIS A 5 -16.067 -4.420 -6.484 1.00 1.25 N ATOM 0 H HIS A 5 -12.581 -6.667 -1.712 1.00 0.94 H new ATOM 0 HA HIS A 5 -13.997 -7.417 -4.224 1.00 0.93 H new ATOM 0 HB2 HIS A 5 -15.393 -6.073 -2.526 1.00 1.07 H new ATOM 0 HB3 HIS A 5 -14.267 -4.760 -2.810 1.00 1.07 H new ATOM 0 HD2 HIS A 5 -14.006 -4.208 -5.711 1.00 0.85 H new ATOM 0 HE1 HIS A 5 -18.133 -4.990 -6.339 1.00 1.71 H new ATOM 0 HE2 HIS A 5 -16.023 -3.985 -7.406 1.00 1.25 H new ATOM 74 N VAL A 6 -12.291 -6.076 -5.532 1.00 0.63 N ATOM 75 CA VAL A 6 -11.226 -5.432 -6.291 1.00 0.57 C ATOM 76 C VAL A 6 -11.862 -4.451 -7.257 1.00 0.60 C ATOM 77 O VAL A 6 -12.859 -4.798 -7.901 1.00 0.74 O ATOM 78 CB VAL A 6 -10.411 -6.467 -7.074 1.00 0.63 C ATOM 79 CG1 VAL A 6 -9.285 -5.785 -7.862 1.00 1.55 C ATOM 80 CG2 VAL A 6 -9.785 -7.492 -6.136 1.00 1.70 C ATOM 0 H VAL A 6 -12.963 -6.576 -6.114 1.00 0.63 H new ATOM 0 HA VAL A 6 -10.551 -4.919 -5.606 1.00 0.57 H new ATOM 0 HB VAL A 6 -11.096 -6.967 -7.759 1.00 0.63 H new ATOM 0 HG11 VAL A 6 -8.718 -6.537 -8.411 1.00 1.55 H new ATOM 0 HG12 VAL A 6 -9.714 -5.070 -8.564 1.00 1.55 H new ATOM 0 HG13 VAL A 6 -8.622 -5.263 -7.172 1.00 1.55 H new ATOM 0 HG21 VAL A 6 -9.212 -8.215 -6.717 1.00 1.70 H new ATOM 0 HG22 VAL A 6 -9.124 -6.986 -5.433 1.00 1.70 H new ATOM 0 HG23 VAL A 6 -10.571 -8.010 -5.586 1.00 1.70 H new ATOM 90 N VAL A 7 -11.266 -3.263 -7.378 1.00 0.59 N ATOM 91 CA VAL A 7 -11.691 -2.241 -8.305 1.00 0.64 C ATOM 92 C VAL A 7 -10.500 -1.867 -9.182 1.00 0.73 C ATOM 93 O VAL A 7 -9.373 -1.707 -8.709 1.00 0.86 O ATOM 94 CB VAL A 7 -12.267 -1.028 -7.554 1.00 0.70 C ATOM 95 CG1 VAL A 7 -13.685 -1.324 -7.057 1.00 2.39 C ATOM 96 CG2 VAL A 7 -11.429 -0.564 -6.357 1.00 2.21 C ATOM 0 H VAL A 7 -10.459 -2.990 -6.817 1.00 0.59 H new ATOM 0 HA VAL A 7 -12.494 -2.614 -8.941 1.00 0.64 H new ATOM 0 HB VAL A 7 -12.261 -0.221 -8.287 1.00 0.70 H new ATOM 0 HG11 VAL A 7 -14.074 -0.454 -6.529 1.00 2.39 H new ATOM 0 HG12 VAL A 7 -14.329 -1.550 -7.907 1.00 2.39 H new ATOM 0 HG13 VAL A 7 -13.663 -2.179 -6.381 1.00 2.39 H new ATOM 0 HG21 VAL A 7 -11.909 0.295 -5.888 1.00 2.21 H new ATOM 0 HG22 VAL A 7 -11.348 -1.375 -5.633 1.00 2.21 H new ATOM 0 HG23 VAL A 7 -10.433 -0.281 -6.698 1.00 2.21 H new ATOM 106 N ARG A 8 -10.750 -1.746 -10.484 1.00 0.78 N ATOM 107 CA ARG A 8 -9.761 -1.267 -11.430 1.00 0.79 C ATOM 108 C ARG A 8 -9.896 0.251 -11.488 1.00 0.76 C ATOM 109 O ARG A 8 -10.798 0.771 -12.137 1.00 0.89 O ATOM 110 CB ARG A 8 -9.948 -1.970 -12.789 1.00 0.99 C ATOM 111 CG ARG A 8 -11.276 -1.647 -13.493 1.00 1.67 C ATOM 112 CD ARG A 8 -11.670 -2.706 -14.525 1.00 2.17 C ATOM 113 NE ARG A 8 -12.983 -2.384 -15.109 1.00 3.08 N ATOM 114 CZ ARG A 8 -14.166 -2.541 -14.496 1.00 3.87 C ATOM 115 NH1 ARG A 8 -15.268 -2.034 -15.053 1.00 4.79 N ATOM 116 NH2 ARG A 8 -14.261 -3.183 -13.333 1.00 4.56 N ATOM 0 H ARG A 8 -11.648 -1.980 -10.907 1.00 0.78 H new ATOM 0 HA ARG A 8 -8.742 -1.506 -11.125 1.00 0.79 H new ATOM 0 HB2 ARG A 8 -9.125 -1.689 -13.446 1.00 0.99 H new ATOM 0 HB3 ARG A 8 -9.883 -3.048 -12.639 1.00 0.99 H new ATOM 0 HG2 ARG A 8 -12.066 -1.561 -12.747 1.00 1.67 H new ATOM 0 HG3 ARG A 8 -11.195 -0.678 -13.985 1.00 1.67 H new ATOM 0 HD2 ARG A 8 -10.917 -2.756 -15.311 1.00 2.17 H new ATOM 0 HD3 ARG A 8 -11.705 -3.688 -14.054 1.00 2.17 H new ATOM 0 HE ARG A 8 -12.994 -2.011 -16.058 1.00 3.08 H new ATOM 0 HH11 ARG A 8 -15.207 -1.531 -15.939 1.00 4.79 H new ATOM 0 HH12 ARG A 8 -16.171 -2.149 -14.593 1.00 4.79 H new ATOM 0 HH21 ARG A 8 -13.425 -3.566 -12.892 1.00 4.56 H new ATOM 0 HH22 ARG A 8 -15.170 -3.292 -12.883 1.00 4.56 H new ATOM 130 N GLY A 9 -9.035 0.970 -10.780 1.00 0.69 N ATOM 131 CA GLY A 9 -8.982 2.410 -10.847 1.00 0.70 C ATOM 132 C GLY A 9 -7.540 2.817 -10.618 1.00 0.62 C ATOM 133 O GLY A 9 -6.635 1.984 -10.672 1.00 0.76 O ATOM 0 H GLY A 9 -8.353 0.561 -10.142 1.00 0.69 H new ATOM 0 HA2 GLY A 9 -9.332 2.763 -11.817 1.00 0.70 H new ATOM 0 HA3 GLY A 9 -9.632 2.854 -10.093 1.00 0.70 H new ATOM 137 N ASP A 10 -7.337 4.096 -10.346 1.00 0.61 N ATOM 138 CA ASP A 10 -6.020 4.676 -10.170 1.00 0.64 C ATOM 139 C ASP A 10 -5.887 5.205 -8.754 1.00 0.58 C ATOM 140 O ASP A 10 -6.872 5.450 -8.055 1.00 0.52 O ATOM 141 CB ASP A 10 -5.777 5.794 -11.191 1.00 0.78 C ATOM 142 CG ASP A 10 -4.352 5.723 -11.728 1.00 1.44 C ATOM 143 OD1 ASP A 10 -3.417 5.506 -10.926 1.00 2.67 O ATOM 144 OD2 ASP A 10 -4.178 5.835 -12.958 1.00 2.35 O ATOM 0 H ASP A 10 -8.096 4.769 -10.240 1.00 0.61 H new ATOM 0 HA ASP A 10 -5.267 3.906 -10.336 1.00 0.64 H new ATOM 0 HB2 ASP A 10 -6.487 5.705 -12.013 1.00 0.78 H new ATOM 0 HB3 ASP A 10 -5.949 6.764 -10.725 1.00 0.78 H new ATOM 149 N ILE A 11 -4.651 5.414 -8.330 1.00 0.67 N ATOM 150 CA ILE A 11 -4.343 5.857 -6.982 1.00 0.71 C ATOM 151 C ILE A 11 -4.855 7.277 -6.766 1.00 0.74 C ATOM 152 O ILE A 11 -5.408 7.596 -5.720 1.00 0.76 O ATOM 153 CB ILE A 11 -2.833 5.679 -6.753 1.00 0.87 C ATOM 154 CG1 ILE A 11 -2.524 4.167 -6.788 1.00 2.00 C ATOM 155 CG2 ILE A 11 -2.390 6.265 -5.408 1.00 1.43 C ATOM 156 CD1 ILE A 11 -1.712 3.720 -8.001 1.00 3.71 C ATOM 0 H ILE A 11 -3.828 5.280 -8.917 1.00 0.67 H new ATOM 0 HA ILE A 11 -4.855 5.256 -6.230 1.00 0.71 H new ATOM 0 HB ILE A 11 -2.288 6.211 -7.533 1.00 0.87 H new ATOM 0 HG12 ILE A 11 -1.980 3.898 -5.882 1.00 2.00 H new ATOM 0 HG13 ILE A 11 -3.464 3.615 -6.771 1.00 2.00 H new ATOM 0 HG21 ILE A 11 -1.317 6.119 -5.283 1.00 1.43 H new ATOM 0 HG22 ILE A 11 -2.617 7.331 -5.383 1.00 1.43 H new ATOM 0 HG23 ILE A 11 -2.921 5.762 -4.600 1.00 1.43 H new ATOM 0 HD11 ILE A 11 -1.539 2.645 -7.947 1.00 3.71 H new ATOM 0 HD12 ILE A 11 -2.261 3.954 -8.913 1.00 3.71 H new ATOM 0 HD13 ILE A 11 -0.755 4.241 -8.010 1.00 3.71 H new ATOM 168 N ALA A 12 -4.747 8.123 -7.784 1.00 0.77 N ATOM 169 CA ALA A 12 -5.223 9.501 -7.712 1.00 0.82 C ATOM 170 C ALA A 12 -6.755 9.579 -7.754 1.00 0.78 C ATOM 171 O ALA A 12 -7.314 10.670 -7.655 1.00 0.87 O ATOM 172 CB ALA A 12 -4.594 10.332 -8.834 1.00 0.92 C ATOM 0 H ALA A 12 -4.328 7.875 -8.680 1.00 0.77 H new ATOM 0 HA ALA A 12 -4.913 9.916 -6.753 1.00 0.82 H new ATOM 0 HB1 ALA A 12 -4.955 11.359 -8.772 1.00 0.92 H new ATOM 0 HB2 ALA A 12 -3.509 10.322 -8.730 1.00 0.92 H new ATOM 0 HB3 ALA A 12 -4.870 9.908 -9.799 1.00 0.92 H new ATOM 178 N THR A 13 -7.441 8.443 -7.885 1.00 0.68 N ATOM 179 CA THR A 13 -8.892 8.360 -7.833 1.00 0.66 C ATOM 180 C THR A 13 -9.347 7.445 -6.691 1.00 0.63 C ATOM 181 O THR A 13 -10.538 7.169 -6.567 1.00 0.64 O ATOM 182 CB THR A 13 -9.417 7.873 -9.192 1.00 0.64 C ATOM 183 OG1 THR A 13 -8.759 6.688 -9.595 1.00 0.62 O ATOM 184 CG2 THR A 13 -9.176 8.924 -10.277 1.00 0.70 C ATOM 0 H THR A 13 -6.990 7.540 -8.033 1.00 0.68 H new ATOM 0 HA THR A 13 -9.306 9.348 -7.631 1.00 0.66 H new ATOM 0 HB THR A 13 -10.485 7.689 -9.071 1.00 0.64 H new ATOM 0 HG1 THR A 13 -8.245 6.327 -8.843 1.00 0.62 H new ATOM 0 HG21 THR A 13 -9.556 8.557 -11.230 1.00 0.70 H new ATOM 0 HG22 THR A 13 -9.693 9.846 -10.011 1.00 0.70 H new ATOM 0 HG23 THR A 13 -8.107 9.119 -10.364 1.00 0.70 H new ATOM 192 N ALA A 14 -8.430 6.961 -5.848 1.00 0.61 N ATOM 193 CA ALA A 14 -8.724 6.003 -4.798 1.00 0.60 C ATOM 194 C ALA A 14 -9.187 6.742 -3.551 1.00 0.63 C ATOM 195 O ALA A 14 -8.581 6.669 -2.489 1.00 0.64 O ATOM 196 CB ALA A 14 -7.475 5.176 -4.517 1.00 0.58 C ATOM 0 H ALA A 14 -7.448 7.234 -5.883 1.00 0.61 H new ATOM 0 HA ALA A 14 -9.524 5.331 -5.110 1.00 0.60 H new ATOM 0 HB1 ALA A 14 -7.687 4.453 -3.729 1.00 0.58 H new ATOM 0 HB2 ALA A 14 -7.177 4.648 -5.423 1.00 0.58 H new ATOM 0 HB3 ALA A 14 -6.667 5.834 -4.198 1.00 0.58 H new ATOM 202 N THR A 15 -10.286 7.470 -3.659 1.00 0.67 N ATOM 203 CA THR A 15 -10.807 8.257 -2.551 1.00 0.69 C ATOM 204 C THR A 15 -11.645 7.398 -1.583 1.00 0.64 C ATOM 205 O THR A 15 -12.727 7.785 -1.152 1.00 0.64 O ATOM 206 CB THR A 15 -11.469 9.523 -3.091 1.00 0.97 C ATOM 207 OG1 THR A 15 -11.804 10.396 -2.029 1.00 3.11 O ATOM 208 CG2 THR A 15 -12.655 9.159 -3.968 1.00 1.67 C ATOM 0 H THR A 15 -10.841 7.533 -4.513 1.00 0.67 H new ATOM 0 HA THR A 15 -9.996 8.609 -1.913 1.00 0.69 H new ATOM 0 HB THR A 15 -10.767 10.066 -3.724 1.00 0.97 H new ATOM 0 HG1 THR A 15 -12.300 9.902 -1.343 1.00 3.11 H new ATOM 0 HG21 THR A 15 -13.120 10.069 -4.348 1.00 1.67 H new ATOM 0 HG22 THR A 15 -12.315 8.549 -4.805 1.00 1.67 H new ATOM 0 HG23 THR A 15 -13.382 8.598 -3.382 1.00 1.67 H new ATOM 216 N GLU A 16 -11.116 6.246 -1.164 1.00 0.65 N ATOM 217 CA GLU A 16 -11.784 5.271 -0.283 1.00 0.66 C ATOM 218 C GLU A 16 -11.622 5.647 1.188 1.00 0.68 C ATOM 219 O GLU A 16 -11.286 4.835 2.045 1.00 0.88 O ATOM 220 CB GLU A 16 -11.177 3.889 -0.558 1.00 0.68 C ATOM 221 CG GLU A 16 -12.244 2.855 -0.950 1.00 0.57 C ATOM 222 CD GLU A 16 -13.107 2.439 0.248 1.00 2.66 C ATOM 223 OE1 GLU A 16 -12.870 1.347 0.810 1.00 4.14 O ATOM 224 OE2 GLU A 16 -14.021 3.212 0.600 1.00 3.81 O ATOM 0 H GLU A 16 -10.178 5.951 -1.435 1.00 0.65 H new ATOM 0 HA GLU A 16 -12.854 5.263 -0.492 1.00 0.66 H new ATOM 0 HB2 GLU A 16 -10.441 3.970 -1.358 1.00 0.68 H new ATOM 0 HB3 GLU A 16 -10.647 3.543 0.330 1.00 0.68 H new ATOM 0 HG2 GLU A 16 -12.882 3.270 -1.730 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -11.759 1.974 -1.371 1.00 0.57 H new ATOM 231 N GLY A 17 -11.741 6.935 1.486 1.00 0.63 N ATOM 232 CA GLY A 17 -11.336 7.459 2.776 1.00 0.72 C ATOM 233 C GLY A 17 -9.820 7.620 2.825 1.00 0.75 C ATOM 234 O GLY A 17 -9.343 8.704 3.159 1.00 0.90 O ATOM 0 H GLY A 17 -12.117 7.635 0.846 1.00 0.63 H new ATOM 0 HA2 GLY A 17 -11.817 8.421 2.954 1.00 0.72 H new ATOM 0 HA3 GLY A 17 -11.664 6.787 3.569 1.00 0.72 H new ATOM 238 N VAL A 18 -9.061 6.587 2.445 1.00 0.74 N ATOM 239 CA VAL A 18 -7.619 6.522 2.604 1.00 0.88 C ATOM 240 C VAL A 18 -7.032 5.842 1.377 1.00 0.80 C ATOM 241 O VAL A 18 -7.725 5.149 0.634 1.00 0.82 O ATOM 242 CB VAL A 18 -7.284 5.764 3.904 1.00 1.09 C ATOM 243 CG1 VAL A 18 -5.898 5.102 3.976 1.00 1.20 C ATOM 244 CG2 VAL A 18 -7.411 6.728 5.082 1.00 1.75 C ATOM 0 H VAL A 18 -9.452 5.753 2.007 1.00 0.74 H new ATOM 0 HA VAL A 18 -7.185 7.518 2.685 1.00 0.88 H new ATOM 0 HB VAL A 18 -7.998 4.941 3.934 1.00 1.09 H new ATOM 0 HG11 VAL A 18 -5.783 4.602 4.938 1.00 1.20 H new ATOM 0 HG12 VAL A 18 -5.802 4.371 3.173 1.00 1.20 H new ATOM 0 HG13 VAL A 18 -5.125 5.863 3.869 1.00 1.20 H new ATOM 0 HG21 VAL A 18 -7.176 6.204 6.008 1.00 1.75 H new ATOM 0 HG22 VAL A 18 -6.717 7.558 4.949 1.00 1.75 H new ATOM 0 HG23 VAL A 18 -8.430 7.111 5.130 1.00 1.75 H new ATOM 254 N ILE A 19 -5.735 6.069 1.205 1.00 0.78 N ATOM 255 CA ILE A 19 -4.866 5.535 0.181 1.00 0.76 C ATOM 256 C ILE A 19 -3.636 5.054 0.938 1.00 0.66 C ATOM 257 O ILE A 19 -3.307 5.634 1.970 1.00 0.64 O ATOM 258 CB ILE A 19 -4.533 6.671 -0.804 1.00 0.89 C ATOM 259 CG1 ILE A 19 -5.843 7.125 -1.464 1.00 1.01 C ATOM 260 CG2 ILE A 19 -3.526 6.246 -1.880 1.00 1.06 C ATOM 261 CD1 ILE A 19 -5.670 8.271 -2.464 1.00 1.57 C ATOM 0 H ILE A 19 -5.227 6.687 1.838 1.00 0.78 H new ATOM 0 HA ILE A 19 -5.301 4.722 -0.401 1.00 0.76 H new ATOM 0 HB ILE A 19 -4.066 7.484 -0.248 1.00 0.89 H new ATOM 0 HG12 ILE A 19 -6.294 6.275 -1.975 1.00 1.01 H new ATOM 0 HG13 ILE A 19 -6.541 7.436 -0.687 1.00 1.01 H new ATOM 0 HG21 ILE A 19 -3.329 7.086 -2.546 1.00 1.06 H new ATOM 0 HG22 ILE A 19 -2.596 5.933 -1.405 1.00 1.06 H new ATOM 0 HG23 ILE A 19 -3.937 5.416 -2.455 1.00 1.06 H new ATOM 0 HD11 ILE A 19 -6.639 8.534 -2.887 1.00 1.57 H new ATOM 0 HD12 ILE A 19 -5.249 9.138 -1.955 1.00 1.57 H new ATOM 0 HD13 ILE A 19 -4.998 7.958 -3.263 1.00 1.57 H new ATOM 273 N ILE A 20 -2.954 4.020 0.454 1.00 0.68 N ATOM 274 CA ILE A 20 -1.681 3.603 1.010 1.00 0.63 C ATOM 275 C ILE A 20 -0.703 3.616 -0.152 1.00 0.68 C ATOM 276 O ILE A 20 -1.016 3.114 -1.233 1.00 0.78 O ATOM 277 CB ILE A 20 -1.757 2.216 1.676 1.00 0.64 C ATOM 278 CG1 ILE A 20 -2.834 2.110 2.771 1.00 0.67 C ATOM 279 CG2 ILE A 20 -0.418 1.877 2.342 1.00 0.70 C ATOM 280 CD1 ILE A 20 -4.212 1.786 2.202 1.00 0.75 C ATOM 0 H ILE A 20 -3.271 3.453 -0.332 1.00 0.68 H new ATOM 0 HA ILE A 20 -1.366 4.276 1.807 1.00 0.63 H new ATOM 0 HB ILE A 20 -2.009 1.526 0.870 1.00 0.64 H new ATOM 0 HG12 ILE A 20 -2.548 1.337 3.485 1.00 0.67 H new ATOM 0 HG13 ILE A 20 -2.883 3.050 3.321 1.00 0.67 H new ATOM 0 HG21 ILE A 20 -0.483 0.895 2.810 1.00 0.70 H new ATOM 0 HG22 ILE A 20 0.371 1.870 1.590 1.00 0.70 H new ATOM 0 HG23 ILE A 20 -0.189 2.626 3.101 1.00 0.70 H new ATOM 0 HD11 ILE A 20 -4.935 1.722 3.015 1.00 0.75 H new ATOM 0 HD12 ILE A 20 -4.513 2.571 1.509 1.00 0.75 H new ATOM 0 HD13 ILE A 20 -4.173 0.833 1.675 1.00 0.75 H new ATOM 292 N ASN A 21 0.476 4.190 0.068 1.00 0.66 N ATOM 293 CA ASN A 21 1.516 4.249 -0.944 1.00 0.69 C ATOM 294 C ASN A 21 2.850 3.834 -0.334 1.00 0.67 C ATOM 295 O ASN A 21 3.160 4.219 0.793 1.00 0.66 O ATOM 296 CB ASN A 21 1.573 5.661 -1.546 1.00 0.71 C ATOM 297 CG ASN A 21 0.802 5.758 -2.859 1.00 1.05 C ATOM 298 OD1 ASN A 21 -0.079 6.590 -3.012 1.00 2.37 O ATOM 299 ND2 ASN A 21 1.119 4.920 -3.841 1.00 2.38 N ATOM 0 H ASN A 21 0.734 4.626 0.953 1.00 0.66 H new ATOM 0 HA ASN A 21 1.291 3.554 -1.753 1.00 0.69 H new ATOM 0 HB2 ASN A 21 1.163 6.376 -0.832 1.00 0.71 H new ATOM 0 HB3 ASN A 21 2.613 5.940 -1.715 1.00 0.71 H new ATOM 0 HD21 ASN A 21 0.625 4.968 -4.732 1.00 2.38 H new ATOM 0 HD22 ASN A 21 1.856 4.229 -3.703 1.00 2.38 H new ATOM 306 N ALA A 22 3.634 3.050 -1.082 1.00 0.80 N ATOM 307 CA ALA A 22 4.965 2.613 -0.688 1.00 0.91 C ATOM 308 C ALA A 22 5.938 3.781 -0.813 1.00 1.14 C ATOM 309 O ALA A 22 6.637 3.916 -1.815 1.00 2.40 O ATOM 310 CB ALA A 22 5.412 1.454 -1.577 1.00 1.22 C ATOM 0 H ALA A 22 3.349 2.698 -1.996 1.00 0.80 H new ATOM 0 HA ALA A 22 4.947 2.273 0.347 1.00 0.91 H new ATOM 0 HB1 ALA A 22 6.409 1.130 -1.279 1.00 1.22 H new ATOM 0 HB2 ALA A 22 4.714 0.624 -1.471 1.00 1.22 H new ATOM 0 HB3 ALA A 22 5.433 1.780 -2.617 1.00 1.22 H new ATOM 316 N ALA A 23 5.923 4.631 0.204 1.00 0.53 N ATOM 317 CA ALA A 23 6.692 5.847 0.356 1.00 0.67 C ATOM 318 C ALA A 23 8.164 5.517 0.586 1.00 0.60 C ATOM 319 O ALA A 23 9.066 6.111 -0.003 1.00 0.74 O ATOM 320 CB ALA A 23 6.086 6.565 1.559 1.00 0.92 C ATOM 0 H ALA A 23 5.319 4.469 1.010 1.00 0.53 H new ATOM 0 HA ALA A 23 6.653 6.474 -0.535 1.00 0.67 H new ATOM 0 HB1 ALA A 23 6.621 7.498 1.733 1.00 0.92 H new ATOM 0 HB2 ALA A 23 5.036 6.780 1.363 1.00 0.92 H new ATOM 0 HB3 ALA A 23 6.168 5.930 2.441 1.00 0.92 H new ATOM 326 N ASN A 24 8.422 4.515 1.426 1.00 0.52 N ATOM 327 CA ASN A 24 9.767 4.002 1.661 1.00 0.54 C ATOM 328 C ASN A 24 10.560 5.028 2.449 1.00 0.60 C ATOM 329 O ASN A 24 10.033 6.059 2.855 1.00 0.68 O ATOM 330 CB ASN A 24 10.465 3.596 0.353 1.00 0.72 C ATOM 331 CG ASN A 24 9.449 3.092 -0.664 1.00 1.23 C ATOM 332 OD1 ASN A 24 8.594 2.284 -0.324 1.00 1.58 O ATOM 333 ND2 ASN A 24 9.418 3.669 -1.855 1.00 1.80 N ATOM 0 H ASN A 24 7.700 4.036 1.964 1.00 0.52 H new ATOM 0 HA ASN A 24 9.702 3.088 2.251 1.00 0.54 H new ATOM 0 HB2 ASN A 24 11.005 4.449 -0.057 1.00 0.72 H new ATOM 0 HB3 ASN A 24 11.202 2.819 0.554 1.00 0.72 H new ATOM 0 HD21 ASN A 24 8.671 3.443 -2.512 1.00 1.80 H new ATOM 0 HD22 ASN A 24 10.141 4.339 -2.116 1.00 1.80 H new ATOM 340 N SER A 25 11.853 4.782 2.631 1.00 0.73 N ATOM 341 CA SER A 25 12.693 5.760 3.303 1.00 0.89 C ATOM 342 C SER A 25 12.768 7.076 2.515 1.00 1.05 C ATOM 343 O SER A 25 13.193 8.084 3.061 1.00 1.21 O ATOM 344 CB SER A 25 14.078 5.164 3.577 1.00 1.02 C ATOM 345 OG SER A 25 14.812 5.974 4.470 1.00 1.88 O ATOM 0 H SER A 25 12.332 3.933 2.330 1.00 0.73 H new ATOM 0 HA SER A 25 12.241 6.007 4.264 1.00 0.89 H new ATOM 0 HB2 SER A 25 13.970 4.163 3.994 1.00 1.02 H new ATOM 0 HB3 SER A 25 14.625 5.062 2.640 1.00 1.02 H new ATOM 0 HG SER A 25 14.206 6.355 5.139 1.00 1.88 H new ATOM 351 N LYS A 26 12.345 7.098 1.246 1.00 1.10 N ATOM 352 CA LYS A 26 12.358 8.291 0.406 1.00 1.32 C ATOM 353 C LYS A 26 11.046 9.077 0.480 1.00 1.32 C ATOM 354 O LYS A 26 10.947 10.138 -0.125 1.00 1.52 O ATOM 355 CB LYS A 26 12.614 7.885 -1.051 1.00 1.38 C ATOM 356 CG LYS A 26 13.863 7.005 -1.191 1.00 1.55 C ATOM 357 CD LYS A 26 14.180 6.745 -2.665 1.00 1.94 C ATOM 358 CE LYS A 26 14.937 5.420 -2.790 1.00 1.97 C ATOM 359 NZ LYS A 26 15.303 5.125 -4.193 1.00 2.63 N ATOM 0 H LYS A 26 11.979 6.273 0.771 1.00 1.10 H new ATOM 0 HA LYS A 26 13.153 8.938 0.777 1.00 1.32 H new ATOM 0 HB2 LYS A 26 11.747 7.348 -1.435 1.00 1.38 H new ATOM 0 HB3 LYS A 26 12.731 8.780 -1.662 1.00 1.38 H new ATOM 0 HG2 LYS A 26 14.712 7.492 -0.712 1.00 1.55 H new ATOM 0 HG3 LYS A 26 13.706 6.058 -0.675 1.00 1.55 H new ATOM 0 HD2 LYS A 26 13.259 6.708 -3.247 1.00 1.94 H new ATOM 0 HD3 LYS A 26 14.780 7.560 -3.070 1.00 1.94 H new ATOM 0 HE2 LYS A 26 15.839 5.458 -2.180 1.00 1.97 H new ATOM 0 HE3 LYS A 26 14.321 4.611 -2.398 1.00 1.97 H new ATOM 0 HZ1 LYS A 26 15.814 4.220 -4.236 1.00 2.63 H new ATOM 0 HZ2 LYS A 26 14.441 5.063 -4.771 1.00 2.63 H new ATOM 0 HZ3 LYS A 26 15.912 5.884 -4.560 1.00 2.63 H new ATOM 373 N GLY A 27 10.010 8.536 1.120 1.00 1.16 N ATOM 374 CA GLY A 27 8.707 9.178 1.175 1.00 1.26 C ATOM 375 C GLY A 27 7.965 9.171 -0.175 1.00 1.29 C ATOM 376 O GLY A 27 6.914 9.792 -0.311 1.00 1.52 O ATOM 0 H GLY A 27 10.055 7.643 1.612 1.00 1.16 H new ATOM 0 HA2 GLY A 27 8.093 8.674 1.921 1.00 1.26 H new ATOM 0 HA3 GLY A 27 8.832 10.209 1.508 1.00 1.26 H new ATOM 380 N GLN A 28 8.479 8.491 -1.202 1.00 1.16 N ATOM 381 CA GLN A 28 7.987 8.627 -2.562 1.00 1.18 C ATOM 382 C GLN A 28 7.475 7.278 -3.068 1.00 1.09 C ATOM 383 O GLN A 28 8.238 6.311 -3.068 1.00 1.11 O ATOM 384 CB GLN A 28 9.124 9.146 -3.449 1.00 1.32 C ATOM 385 CG GLN A 28 8.579 9.478 -4.840 1.00 1.29 C ATOM 386 CD GLN A 28 9.683 9.868 -5.815 1.00 1.52 C ATOM 387 OE1 GLN A 28 10.601 10.605 -5.480 1.00 1.79 O ATOM 388 NE2 GLN A 28 9.620 9.375 -7.045 1.00 2.34 N ATOM 0 H GLN A 28 9.250 7.830 -1.107 1.00 1.16 H new ATOM 0 HA GLN A 28 7.159 9.335 -2.591 1.00 1.18 H new ATOM 0 HB2 GLN A 28 9.572 10.033 -3.002 1.00 1.32 H new ATOM 0 HB3 GLN A 28 9.911 8.396 -3.525 1.00 1.32 H new ATOM 0 HG2 GLN A 28 8.039 8.616 -5.232 1.00 1.29 H new ATOM 0 HG3 GLN A 28 7.861 10.295 -4.761 1.00 1.29 H new ATOM 0 HE21 GLN A 28 8.849 8.762 -7.310 1.00 2.34 H new ATOM 0 HE22 GLN A 28 10.343 9.609 -7.726 1.00 2.34 H new ATOM 397 N PRO A 29 6.218 7.203 -3.543 1.00 1.06 N ATOM 398 CA PRO A 29 5.663 5.974 -4.074 1.00 1.04 C ATOM 399 C PRO A 29 6.455 5.442 -5.265 1.00 1.11 C ATOM 400 O PRO A 29 6.431 6.012 -6.361 1.00 1.54 O ATOM 401 CB PRO A 29 4.192 6.228 -4.383 1.00 1.08 C ATOM 402 CG PRO A 29 3.993 7.733 -4.234 1.00 1.14 C ATOM 403 CD PRO A 29 5.213 8.249 -3.471 1.00 1.12 C ATOM 0 HA PRO A 29 5.738 5.176 -3.335 1.00 1.04 H new ATOM 0 HB2 PRO A 29 3.941 5.898 -5.391 1.00 1.08 H new ATOM 0 HB3 PRO A 29 3.547 5.678 -3.698 1.00 1.08 H new ATOM 0 HG2 PRO A 29 3.911 8.214 -5.209 1.00 1.14 H new ATOM 0 HG3 PRO A 29 3.073 7.953 -3.692 1.00 1.14 H new ATOM 0 HD2 PRO A 29 5.584 9.174 -3.912 1.00 1.12 H new ATOM 0 HD3 PRO A 29 4.957 8.470 -2.435 1.00 1.12 H new ATOM 411 N GLY A 30 7.137 4.317 -5.041 1.00 0.89 N ATOM 412 CA GLY A 30 7.921 3.637 -6.054 1.00 1.01 C ATOM 413 C GLY A 30 6.993 3.016 -7.088 1.00 1.72 C ATOM 414 O GLY A 30 6.469 1.925 -6.880 1.00 2.65 O ATOM 0 H GLY A 30 7.155 3.852 -4.134 1.00 0.89 H new ATOM 0 HA2 GLY A 30 8.600 4.341 -6.536 1.00 1.01 H new ATOM 0 HA3 GLY A 30 8.537 2.865 -5.593 1.00 1.01 H new ATOM 418 N GLY A 31 6.783 3.717 -8.201 1.00 1.79 N ATOM 419 CA GLY A 31 5.937 3.232 -9.278 1.00 2.61 C ATOM 420 C GLY A 31 5.825 4.267 -10.386 1.00 1.73 C ATOM 421 O GLY A 31 5.955 3.936 -11.559 1.00 2.62 O ATOM 0 H GLY A 31 7.195 4.633 -8.377 1.00 1.79 H new ATOM 0 HA2 GLY A 31 6.348 2.306 -9.680 1.00 2.61 H new ATOM 0 HA3 GLY A 31 4.945 2.999 -8.890 1.00 2.61 H new ATOM 425 N GLY A 32 5.564 5.522 -10.018 1.00 1.25 N ATOM 426 CA GLY A 32 5.376 6.595 -10.987 1.00 1.21 C ATOM 427 C GLY A 32 4.233 7.495 -10.551 1.00 1.07 C ATOM 428 O GLY A 32 4.308 8.713 -10.686 1.00 1.30 O ATOM 0 H GLY A 32 5.478 5.819 -9.046 1.00 1.25 H new ATOM 0 HA2 GLY A 32 6.293 7.177 -11.080 1.00 1.21 H new ATOM 0 HA3 GLY A 32 5.164 6.175 -11.970 1.00 1.21 H new ATOM 432 N VAL A 33 3.190 6.907 -9.960 1.00 1.03 N ATOM 433 CA VAL A 33 2.003 7.641 -9.553 1.00 1.06 C ATOM 434 C VAL A 33 2.264 8.716 -8.506 1.00 0.82 C ATOM 435 O VAL A 33 1.364 9.505 -8.250 1.00 0.77 O ATOM 436 CB VAL A 33 0.907 6.682 -9.072 1.00 1.45 C ATOM 437 CG1 VAL A 33 0.477 5.770 -10.229 1.00 2.38 C ATOM 438 CG2 VAL A 33 1.376 5.862 -7.857 1.00 1.72 C ATOM 0 H VAL A 33 3.151 5.909 -9.753 1.00 1.03 H new ATOM 0 HA VAL A 33 1.665 8.167 -10.446 1.00 1.06 H new ATOM 0 HB VAL A 33 0.046 7.267 -8.748 1.00 1.45 H new ATOM 0 HG11 VAL A 33 -0.302 5.089 -9.886 1.00 2.38 H new ATOM 0 HG12 VAL A 33 0.092 6.378 -11.048 1.00 2.38 H new ATOM 0 HG13 VAL A 33 1.335 5.194 -10.577 1.00 2.38 H new ATOM 0 HG21 VAL A 33 0.577 5.192 -7.540 1.00 1.72 H new ATOM 0 HG22 VAL A 33 2.254 5.276 -8.130 1.00 1.72 H new ATOM 0 HG23 VAL A 33 1.630 6.536 -7.039 1.00 1.72 H new ATOM 448 N CYS A 34 3.473 8.810 -7.942 1.00 0.84 N ATOM 449 CA CYS A 34 3.903 9.970 -7.201 1.00 0.93 C ATOM 450 C CYS A 34 3.508 11.250 -7.925 1.00 0.99 C ATOM 451 O CYS A 34 2.912 12.137 -7.336 1.00 1.11 O ATOM 452 CB CYS A 34 5.412 9.854 -6.976 1.00 1.12 C ATOM 453 SG CYS A 34 6.444 9.852 -8.473 1.00 3.00 S ATOM 0 H CYS A 34 4.175 8.072 -7.995 1.00 0.84 H new ATOM 0 HA CYS A 34 3.409 10.016 -6.230 1.00 0.93 H new ATOM 0 HB2 CYS A 34 5.729 10.681 -6.341 1.00 1.12 H new ATOM 0 HB3 CYS A 34 5.607 8.935 -6.423 1.00 1.12 H new ATOM 0 HG CYS A 34 5.767 9.358 -9.466 1.00 3.00 H new ATOM 459 N GLY A 35 3.788 11.310 -9.222 1.00 1.10 N ATOM 460 CA GLY A 35 3.508 12.474 -10.046 1.00 1.31 C ATOM 461 C GLY A 35 2.019 12.808 -10.071 1.00 1.24 C ATOM 462 O GLY A 35 1.636 13.950 -9.835 1.00 1.40 O ATOM 0 H GLY A 35 4.221 10.541 -9.734 1.00 1.10 H new ATOM 0 HA2 GLY A 35 4.066 13.330 -9.667 1.00 1.31 H new ATOM 0 HA3 GLY A 35 3.856 12.292 -11.063 1.00 1.31 H new ATOM 466 N ALA A 36 1.164 11.824 -10.364 1.00 1.10 N ATOM 467 CA ALA A 36 -0.275 12.050 -10.463 1.00 1.07 C ATOM 468 C ALA A 36 -0.813 12.520 -9.119 1.00 0.92 C ATOM 469 O ALA A 36 -1.551 13.503 -9.030 1.00 0.97 O ATOM 470 CB ALA A 36 -0.977 10.760 -10.903 1.00 1.07 C ATOM 0 H ALA A 36 1.448 10.860 -10.537 1.00 1.10 H new ATOM 0 HA ALA A 36 -0.471 12.821 -11.208 1.00 1.07 H new ATOM 0 HB1 ALA A 36 -2.050 10.936 -10.975 1.00 1.07 H new ATOM 0 HB2 ALA A 36 -0.594 10.451 -11.876 1.00 1.07 H new ATOM 0 HB3 ALA A 36 -0.786 9.974 -10.172 1.00 1.07 H new ATOM 476 N LEU A 37 -0.421 11.811 -8.065 1.00 0.78 N ATOM 477 CA LEU A 37 -0.844 12.104 -6.719 1.00 0.67 C ATOM 478 C LEU A 37 -0.367 13.483 -6.304 1.00 0.82 C ATOM 479 O LEU A 37 -1.101 14.167 -5.622 1.00 0.96 O ATOM 480 CB LEU A 37 -0.353 11.016 -5.758 1.00 0.62 C ATOM 481 CG LEU A 37 -0.980 11.152 -4.358 1.00 0.61 C ATOM 482 CD1 LEU A 37 -2.454 10.721 -4.356 1.00 0.72 C ATOM 483 CD2 LEU A 37 -0.217 10.245 -3.393 1.00 0.64 C ATOM 0 H LEU A 37 0.206 11.010 -8.133 1.00 0.78 H new ATOM 0 HA LEU A 37 -1.933 12.109 -6.680 1.00 0.67 H new ATOM 0 HB2 LEU A 37 -0.593 10.035 -6.168 1.00 0.62 H new ATOM 0 HB3 LEU A 37 0.733 11.069 -5.675 1.00 0.62 H new ATOM 0 HG LEU A 37 -0.922 12.198 -4.058 1.00 0.61 H new ATOM 0 HD11 LEU A 37 -2.864 10.830 -3.352 1.00 0.72 H new ATOM 0 HD12 LEU A 37 -3.017 11.347 -5.048 1.00 0.72 H new ATOM 0 HD13 LEU A 37 -2.529 9.679 -4.667 1.00 0.72 H new ATOM 0 HD21 LEU A 37 -0.649 10.330 -2.396 1.00 0.64 H new ATOM 0 HD22 LEU A 37 -0.287 9.212 -3.732 1.00 0.64 H new ATOM 0 HD23 LEU A 37 0.830 10.546 -3.362 1.00 0.64 H new ATOM 495 N TYR A 38 0.808 13.943 -6.722 1.00 0.89 N ATOM 496 CA TYR A 38 1.234 15.298 -6.414 1.00 1.13 C ATOM 497 C TYR A 38 0.514 16.310 -7.301 1.00 1.22 C ATOM 498 O TYR A 38 0.372 17.463 -6.915 1.00 1.36 O ATOM 499 CB TYR A 38 2.754 15.436 -6.566 1.00 1.48 C ATOM 500 CG TYR A 38 3.604 14.519 -5.697 1.00 3.20 C ATOM 501 CD1 TYR A 38 3.137 14.044 -4.453 1.00 4.83 C ATOM 502 CD2 TYR A 38 4.880 14.133 -6.150 1.00 4.35 C ATOM 503 CE1 TYR A 38 3.926 13.168 -3.687 1.00 6.97 C ATOM 504 CE2 TYR A 38 5.675 13.260 -5.386 1.00 6.51 C ATOM 505 CZ TYR A 38 5.198 12.768 -4.152 1.00 7.69 C ATOM 506 OH TYR A 38 5.962 11.898 -3.430 1.00 9.94 O ATOM 0 H TYR A 38 1.475 13.400 -7.270 1.00 0.89 H new ATOM 0 HA TYR A 38 0.971 15.506 -5.377 1.00 1.13 H new ATOM 0 HB2 TYR A 38 3.012 15.254 -7.609 1.00 1.48 H new ATOM 0 HB3 TYR A 38 3.028 16.468 -6.345 1.00 1.48 H new ATOM 0 HD1 TYR A 38 2.169 14.355 -4.088 1.00 4.83 H new ATOM 0 HD2 TYR A 38 5.251 14.510 -7.091 1.00 4.35 H new ATOM 0 HE1 TYR A 38 3.558 12.800 -2.741 1.00 6.97 H new ATOM 0 HE2 TYR A 38 6.651 12.966 -5.744 1.00 6.51 H new ATOM 0 HH TYR A 38 5.380 11.296 -2.922 1.00 9.94 H new ATOM 516 N LYS A 39 0.051 15.927 -8.496 1.00 1.22 N ATOM 517 CA LYS A 39 -0.568 16.882 -9.401 1.00 1.41 C ATOM 518 C LYS A 39 -1.988 17.189 -8.942 1.00 1.37 C ATOM 519 O LYS A 39 -2.502 18.271 -9.206 1.00 1.55 O ATOM 520 CB LYS A 39 -0.501 16.341 -10.835 1.00 1.52 C ATOM 521 CG LYS A 39 -0.775 17.471 -11.829 1.00 1.95 C ATOM 522 CD LYS A 39 -0.296 17.113 -13.239 1.00 2.29 C ATOM 523 CE LYS A 39 -0.333 18.372 -14.112 1.00 2.90 C ATOM 524 NZ LYS A 39 0.264 18.144 -15.447 1.00 3.41 N ATOM 0 H LYS A 39 0.095 14.971 -8.850 1.00 1.22 H new ATOM 0 HA LYS A 39 -0.026 17.828 -9.388 1.00 1.41 H new ATOM 0 HB2 LYS A 39 0.481 15.908 -11.024 1.00 1.52 H new ATOM 0 HB3 LYS A 39 -1.232 15.543 -10.967 1.00 1.52 H new ATOM 0 HG2 LYS A 39 -1.844 17.685 -11.851 1.00 1.95 H new ATOM 0 HG3 LYS A 39 -0.274 18.380 -11.494 1.00 1.95 H new ATOM 0 HD2 LYS A 39 0.716 16.710 -13.202 1.00 2.29 H new ATOM 0 HD3 LYS A 39 -0.932 16.339 -13.668 1.00 2.29 H new ATOM 0 HE2 LYS A 39 -1.366 18.701 -14.229 1.00 2.90 H new ATOM 0 HE3 LYS A 39 0.203 19.177 -13.609 1.00 2.90 H new ATOM 0 HZ1 LYS A 39 0.217 19.022 -16.003 1.00 3.41 H new ATOM 0 HZ2 LYS A 39 1.257 17.855 -15.338 1.00 3.41 H new ATOM 0 HZ3 LYS A 39 -0.262 17.394 -15.939 1.00 3.41 H new ATOM 538 N LYS A 40 -2.626 16.235 -8.261 1.00 1.18 N ATOM 539 CA LYS A 40 -3.989 16.382 -7.759 1.00 1.15 C ATOM 540 C LYS A 40 -4.035 16.574 -6.244 1.00 1.07 C ATOM 541 O LYS A 40 -4.943 17.211 -5.720 1.00 1.23 O ATOM 542 CB LYS A 40 -4.774 15.155 -8.206 1.00 1.00 C ATOM 543 CG LYS A 40 -6.278 15.348 -7.976 1.00 1.13 C ATOM 544 CD LYS A 40 -7.108 14.578 -9.002 1.00 0.98 C ATOM 545 CE LYS A 40 -6.789 15.137 -10.396 1.00 1.16 C ATOM 546 NZ LYS A 40 -7.942 15.034 -11.315 1.00 1.52 N ATOM 0 H LYS A 40 -2.205 15.332 -8.042 1.00 1.18 H new ATOM 0 HA LYS A 40 -4.439 17.286 -8.170 1.00 1.15 H new ATOM 0 HB2 LYS A 40 -4.586 14.964 -9.263 1.00 1.00 H new ATOM 0 HB3 LYS A 40 -4.429 14.279 -7.658 1.00 1.00 H new ATOM 0 HG2 LYS A 40 -6.539 15.014 -6.972 1.00 1.13 H new ATOM 0 HG3 LYS A 40 -6.522 16.409 -8.032 1.00 1.13 H new ATOM 0 HD2 LYS A 40 -6.876 13.514 -8.957 1.00 0.98 H new ATOM 0 HD3 LYS A 40 -8.171 14.682 -8.785 1.00 0.98 H new ATOM 0 HE2 LYS A 40 -6.489 16.181 -10.307 1.00 1.16 H new ATOM 0 HE3 LYS A 40 -5.941 14.597 -10.817 1.00 1.16 H new ATOM 0 HZ1 LYS A 40 -7.682 15.423 -12.244 1.00 1.52 H new ATOM 0 HZ2 LYS A 40 -8.213 14.036 -11.421 1.00 1.52 H new ATOM 0 HZ3 LYS A 40 -8.744 15.571 -10.927 1.00 1.52 H new ATOM 560 N PHE A 41 -3.045 16.026 -5.552 1.00 0.97 N ATOM 561 CA PHE A 41 -2.873 16.061 -4.104 1.00 1.14 C ATOM 562 C PHE A 41 -1.414 16.434 -3.773 1.00 0.96 C ATOM 563 O PHE A 41 -0.685 15.663 -3.148 1.00 1.01 O ATOM 564 CB PHE A 41 -3.267 14.713 -3.449 1.00 1.41 C ATOM 565 CG PHE A 41 -4.540 14.049 -3.947 1.00 0.71 C ATOM 566 CD1 PHE A 41 -4.527 13.371 -5.176 1.00 0.87 C ATOM 567 CD2 PHE A 41 -5.716 14.044 -3.176 1.00 1.37 C ATOM 568 CE1 PHE A 41 -5.682 12.730 -5.652 1.00 0.79 C ATOM 569 CE2 PHE A 41 -6.885 13.436 -3.666 1.00 2.05 C ATOM 570 CZ PHE A 41 -6.868 12.771 -4.904 1.00 1.64 C ATOM 0 H PHE A 41 -2.294 15.513 -6.014 1.00 0.97 H new ATOM 0 HA PHE A 41 -3.540 16.818 -3.691 1.00 1.14 H new ATOM 0 HB2 PHE A 41 -2.443 14.014 -3.591 1.00 1.41 H new ATOM 0 HB3 PHE A 41 -3.367 14.875 -2.376 1.00 1.41 H new ATOM 0 HD1 PHE A 41 -3.620 13.342 -5.761 1.00 0.87 H new ATOM 0 HD2 PHE A 41 -5.721 14.510 -2.202 1.00 1.37 H new ATOM 0 HE1 PHE A 41 -5.657 12.205 -6.595 1.00 0.79 H new ATOM 0 HE2 PHE A 41 -7.798 13.480 -3.090 1.00 2.05 H new ATOM 0 HZ PHE A 41 -7.762 12.294 -5.277 1.00 1.64 H new ATOM 580 N PRO A 42 -0.971 17.659 -4.090 1.00 0.94 N ATOM 581 CA PRO A 42 0.336 18.160 -3.664 1.00 1.04 C ATOM 582 C PRO A 42 0.404 18.367 -2.150 1.00 1.05 C ATOM 583 O PRO A 42 1.453 18.689 -1.608 1.00 1.29 O ATOM 584 CB PRO A 42 0.528 19.481 -4.415 1.00 1.26 C ATOM 585 CG PRO A 42 -0.904 19.964 -4.652 1.00 1.32 C ATOM 586 CD PRO A 42 -1.703 18.674 -4.828 1.00 1.09 C ATOM 0 HA PRO A 42 1.126 17.444 -3.891 1.00 1.04 H new ATOM 0 HB2 PRO A 42 1.102 20.198 -3.828 1.00 1.26 H new ATOM 0 HB3 PRO A 42 1.064 19.336 -5.353 1.00 1.26 H new ATOM 0 HG2 PRO A 42 -1.272 20.550 -3.810 1.00 1.32 H new ATOM 0 HG3 PRO A 42 -0.970 20.599 -5.536 1.00 1.32 H new ATOM 0 HD2 PRO A 42 -2.717 18.785 -4.443 1.00 1.09 H new ATOM 0 HD3 PRO A 42 -1.790 18.407 -5.881 1.00 1.09 H new ATOM 594 N GLU A 43 -0.701 18.151 -1.445 1.00 0.98 N ATOM 595 CA GLU A 43 -0.755 18.190 -0.001 1.00 1.10 C ATOM 596 C GLU A 43 -0.108 16.937 0.598 1.00 1.02 C ATOM 597 O GLU A 43 0.276 16.934 1.762 1.00 1.19 O ATOM 598 CB GLU A 43 -2.231 18.297 0.374 1.00 1.30 C ATOM 599 CG GLU A 43 -2.742 19.728 0.179 1.00 1.59 C ATOM 600 CD GLU A 43 -2.202 20.651 1.272 1.00 2.80 C ATOM 601 OE1 GLU A 43 -2.350 20.259 2.452 1.00 4.24 O ATOM 602 OE2 GLU A 43 -1.658 21.716 0.914 1.00 3.47 O ATOM 0 H GLU A 43 -1.600 17.940 -1.878 1.00 0.98 H new ATOM 0 HA GLU A 43 -0.199 19.039 0.396 1.00 1.10 H new ATOM 0 HB2 GLU A 43 -2.817 17.611 -0.238 1.00 1.30 H new ATOM 0 HB3 GLU A 43 -2.369 17.995 1.412 1.00 1.30 H new ATOM 0 HG2 GLU A 43 -2.436 20.098 -0.800 1.00 1.59 H new ATOM 0 HG3 GLU A 43 -3.832 19.735 0.196 1.00 1.59 H new ATOM 609 N SER A 44 0.037 15.871 -0.192 1.00 0.92 N ATOM 610 CA SER A 44 0.684 14.636 0.229 1.00 1.04 C ATOM 611 C SER A 44 2.096 14.530 -0.353 1.00 1.06 C ATOM 612 O SER A 44 2.565 13.439 -0.666 1.00 1.31 O ATOM 613 CB SER A 44 -0.214 13.444 -0.131 1.00 1.24 C ATOM 614 OG SER A 44 -0.971 13.680 -1.305 1.00 1.74 O ATOM 0 H SER A 44 -0.298 15.846 -1.155 1.00 0.92 H new ATOM 0 HA SER A 44 0.812 14.633 1.311 1.00 1.04 H new ATOM 0 HB2 SER A 44 0.402 12.556 -0.271 1.00 1.24 H new ATOM 0 HB3 SER A 44 -0.889 13.236 0.699 1.00 1.24 H new ATOM 0 HG SER A 44 -0.869 12.922 -1.918 1.00 1.74 H new ATOM 620 N PHE A 45 2.807 15.656 -0.459 1.00 1.38 N ATOM 621 CA PHE A 45 4.221 15.759 -0.797 1.00 1.63 C ATOM 622 C PHE A 45 5.095 15.332 0.393 1.00 1.47 C ATOM 623 O PHE A 45 6.062 15.999 0.747 1.00 2.22 O ATOM 624 CB PHE A 45 4.473 17.218 -1.211 1.00 2.83 C ATOM 625 CG PHE A 45 5.510 17.441 -2.287 1.00 3.17 C ATOM 626 CD1 PHE A 45 5.246 16.999 -3.596 1.00 2.93 C ATOM 627 CD2 PHE A 45 6.675 18.180 -2.019 1.00 4.33 C ATOM 628 CE1 PHE A 45 6.150 17.280 -4.633 1.00 3.91 C ATOM 629 CE2 PHE A 45 7.585 18.454 -3.056 1.00 5.06 C ATOM 630 CZ PHE A 45 7.323 18.005 -4.362 1.00 4.87 C ATOM 0 H PHE A 45 2.383 16.570 -0.301 1.00 1.38 H new ATOM 0 HA PHE A 45 4.485 15.091 -1.617 1.00 1.63 H new ATOM 0 HB2 PHE A 45 3.530 17.644 -1.552 1.00 2.83 H new ATOM 0 HB3 PHE A 45 4.774 17.777 -0.325 1.00 2.83 H new ATOM 0 HD1 PHE A 45 4.345 16.441 -3.804 1.00 2.93 H new ATOM 0 HD2 PHE A 45 6.871 18.537 -1.019 1.00 4.33 H new ATOM 0 HE1 PHE A 45 5.944 16.940 -5.637 1.00 3.91 H new ATOM 0 HE2 PHE A 45 8.487 19.011 -2.848 1.00 5.06 H new ATOM 0 HZ PHE A 45 8.023 18.217 -5.157 1.00 4.87 H new ATOM 640 N ASP A 46 4.805 14.170 0.982 1.00 1.17 N ATOM 641 CA ASP A 46 5.508 13.539 2.082 1.00 2.01 C ATOM 642 C ASP A 46 6.603 12.657 1.489 1.00 2.25 C ATOM 643 O ASP A 46 6.883 11.562 1.957 1.00 3.87 O ATOM 644 CB ASP A 46 4.491 12.726 2.886 1.00 2.39 C ATOM 645 CG ASP A 46 5.116 12.017 4.090 1.00 3.59 C ATOM 646 OD1 ASP A 46 5.057 10.766 4.118 1.00 5.14 O ATOM 647 OD2 ASP A 46 5.613 12.743 4.979 1.00 3.56 O ATOM 0 H ASP A 46 4.011 13.610 0.673 1.00 1.17 H new ATOM 0 HA ASP A 46 5.972 14.264 2.751 1.00 2.01 H new ATOM 0 HB2 ASP A 46 3.696 13.387 3.232 1.00 2.39 H new ATOM 0 HB3 ASP A 46 4.028 11.985 2.234 1.00 2.39 H new ATOM 652 N LEU A 47 7.298 13.193 0.484 1.00 1.09 N ATOM 653 CA LEU A 47 8.565 12.681 -0.026 1.00 1.13 C ATOM 654 C LEU A 47 9.721 13.130 0.874 1.00 1.18 C ATOM 655 O LEU A 47 10.840 13.358 0.421 1.00 1.35 O ATOM 656 CB LEU A 47 8.747 13.050 -1.499 1.00 1.20 C ATOM 657 CG LEU A 47 8.236 14.440 -1.874 1.00 1.24 C ATOM 658 CD1 LEU A 47 8.892 15.552 -1.053 1.00 1.67 C ATOM 659 CD2 LEU A 47 8.506 14.632 -3.358 1.00 1.73 C ATOM 0 H LEU A 47 6.980 14.025 -0.013 1.00 1.09 H new ATOM 0 HA LEU A 47 8.559 11.591 0.006 1.00 1.13 H new ATOM 0 HB2 LEU A 47 9.806 12.987 -1.747 1.00 1.20 H new ATOM 0 HB3 LEU A 47 8.232 12.310 -2.112 1.00 1.20 H new ATOM 0 HG LEU A 47 7.170 14.504 -1.654 1.00 1.24 H new ATOM 0 HD11 LEU A 47 8.491 16.517 -1.362 1.00 1.67 H new ATOM 0 HD12 LEU A 47 8.683 15.394 0.005 1.00 1.67 H new ATOM 0 HD13 LEU A 47 9.970 15.538 -1.216 1.00 1.67 H new ATOM 0 HD21 LEU A 47 8.155 15.616 -3.667 1.00 1.73 H new ATOM 0 HD22 LEU A 47 9.577 14.553 -3.546 1.00 1.73 H new ATOM 0 HD23 LEU A 47 7.980 13.864 -3.926 1.00 1.73 H new ATOM 671 N GLN A 48 9.441 13.274 2.169 1.00 1.18 N ATOM 672 CA GLN A 48 10.480 13.438 3.174 1.00 1.38 C ATOM 673 C GLN A 48 11.054 12.074 3.561 1.00 1.21 C ATOM 674 O GLN A 48 10.456 11.038 3.270 1.00 1.10 O ATOM 675 CB GLN A 48 9.910 14.169 4.399 1.00 1.63 C ATOM 676 CG GLN A 48 10.203 15.668 4.278 1.00 2.89 C ATOM 677 CD GLN A 48 9.908 16.401 5.583 1.00 3.44 C ATOM 678 OE1 GLN A 48 8.805 16.351 6.108 1.00 3.40 O ATOM 679 NE2 GLN A 48 10.892 17.094 6.143 1.00 4.60 N ATOM 0 H GLN A 48 8.493 13.280 2.545 1.00 1.18 H new ATOM 0 HA GLN A 48 11.290 14.041 2.764 1.00 1.38 H new ATOM 0 HB2 GLN A 48 8.835 14.002 4.469 1.00 1.63 H new ATOM 0 HB3 GLN A 48 10.354 13.773 5.312 1.00 1.63 H new ATOM 0 HG2 GLN A 48 11.248 15.815 4.005 1.00 2.89 H new ATOM 0 HG3 GLN A 48 9.601 16.094 3.476 1.00 2.89 H new ATOM 0 HE21 GLN A 48 11.809 17.130 5.697 1.00 4.60 H new ATOM 0 HE22 GLN A 48 10.731 17.591 7.019 1.00 4.60 H new ATOM 688 N PRO A 49 12.217 12.048 4.228 1.00 1.26 N ATOM 689 CA PRO A 49 12.820 10.802 4.645 1.00 1.24 C ATOM 690 C PRO A 49 11.998 10.171 5.771 1.00 1.18 C ATOM 691 O PRO A 49 11.986 10.685 6.889 1.00 1.50 O ATOM 692 CB PRO A 49 14.247 11.152 5.074 1.00 1.41 C ATOM 693 CG PRO A 49 14.143 12.618 5.493 1.00 1.54 C ATOM 694 CD PRO A 49 13.074 13.175 4.553 1.00 1.47 C ATOM 0 HA PRO A 49 12.844 10.059 3.848 1.00 1.24 H new ATOM 0 HB2 PRO A 49 14.585 10.522 5.897 1.00 1.41 H new ATOM 0 HB3 PRO A 49 14.956 11.017 4.257 1.00 1.41 H new ATOM 0 HG2 PRO A 49 13.852 12.718 6.539 1.00 1.54 H new ATOM 0 HG3 PRO A 49 15.093 13.139 5.376 1.00 1.54 H new ATOM 0 HD2 PRO A 49 12.507 13.973 5.032 1.00 1.47 H new ATOM 0 HD3 PRO A 49 13.523 13.598 3.655 1.00 1.47 H new ATOM 702 N ILE A 50 11.311 9.061 5.489 1.00 1.01 N ATOM 703 CA ILE A 50 10.629 8.280 6.504 1.00 0.96 C ATOM 704 C ILE A 50 11.631 7.243 7.028 1.00 0.94 C ATOM 705 O ILE A 50 12.699 7.030 6.445 1.00 0.95 O ATOM 706 CB ILE A 50 9.323 7.678 5.925 1.00 0.89 C ATOM 707 CG1 ILE A 50 8.420 8.758 5.293 1.00 1.10 C ATOM 708 CG2 ILE A 50 8.515 6.895 6.964 1.00 0.84 C ATOM 709 CD1 ILE A 50 7.857 9.776 6.291 1.00 1.86 C ATOM 0 H ILE A 50 11.217 8.684 4.546 1.00 1.01 H new ATOM 0 HA ILE A 50 10.305 8.888 7.349 1.00 0.96 H new ATOM 0 HB ILE A 50 9.649 6.983 5.151 1.00 0.89 H new ATOM 0 HG12 ILE A 50 8.990 9.291 4.532 1.00 1.10 H new ATOM 0 HG13 ILE A 50 7.589 8.268 4.785 1.00 1.10 H new ATOM 0 HG21 ILE A 50 7.612 6.498 6.499 1.00 0.84 H new ATOM 0 HG22 ILE A 50 9.117 6.072 7.348 1.00 0.84 H new ATOM 0 HG23 ILE A 50 8.239 7.557 7.785 1.00 0.84 H new ATOM 0 HD11 ILE A 50 7.234 10.498 5.762 1.00 1.86 H new ATOM 0 HD12 ILE A 50 7.257 9.258 7.039 1.00 1.86 H new ATOM 0 HD13 ILE A 50 8.679 10.297 6.782 1.00 1.86 H new ATOM 721 N GLU A 51 11.293 6.641 8.168 1.00 0.93 N ATOM 722 CA GLU A 51 12.093 5.642 8.860 1.00 0.90 C ATOM 723 C GLU A 51 12.106 4.337 8.046 1.00 0.90 C ATOM 724 O GLU A 51 11.813 4.337 6.851 1.00 1.40 O ATOM 725 CB GLU A 51 11.477 5.486 10.262 1.00 0.94 C ATOM 726 CG GLU A 51 12.479 5.154 11.371 1.00 1.04 C ATOM 727 CD GLU A 51 11.828 5.416 12.731 1.00 1.34 C ATOM 728 OE1 GLU A 51 12.014 6.540 13.248 1.00 1.92 O ATOM 729 OE2 GLU A 51 11.102 4.515 13.205 1.00 2.82 O ATOM 0 H GLU A 51 10.418 6.847 8.651 1.00 0.93 H new ATOM 0 HA GLU A 51 13.138 5.934 8.964 1.00 0.90 H new ATOM 0 HB2 GLU A 51 10.962 6.411 10.522 1.00 0.94 H new ATOM 0 HB3 GLU A 51 10.722 4.700 10.226 1.00 0.94 H new ATOM 0 HG2 GLU A 51 12.789 4.112 11.297 1.00 1.04 H new ATOM 0 HG3 GLU A 51 13.377 5.762 11.261 1.00 1.04 H new ATOM 736 N VAL A 52 12.431 3.200 8.663 1.00 0.58 N ATOM 737 CA VAL A 52 12.420 1.915 7.983 1.00 0.53 C ATOM 738 C VAL A 52 11.789 0.926 8.956 1.00 0.60 C ATOM 739 O VAL A 52 12.346 0.699 10.024 1.00 0.90 O ATOM 740 CB VAL A 52 13.846 1.503 7.582 1.00 0.63 C ATOM 741 CG1 VAL A 52 13.798 0.293 6.639 1.00 0.82 C ATOM 742 CG2 VAL A 52 14.591 2.635 6.861 1.00 0.99 C ATOM 0 H VAL A 52 12.707 3.149 9.644 1.00 0.58 H new ATOM 0 HA VAL A 52 11.848 1.951 7.056 1.00 0.53 H new ATOM 0 HB VAL A 52 14.376 1.260 8.503 1.00 0.63 H new ATOM 0 HG11 VAL A 52 14.813 0.008 6.360 1.00 0.82 H new ATOM 0 HG12 VAL A 52 13.312 -0.542 7.143 1.00 0.82 H new ATOM 0 HG13 VAL A 52 13.235 0.552 5.743 1.00 0.82 H new ATOM 0 HG21 VAL A 52 15.594 2.300 6.596 1.00 0.99 H new ATOM 0 HG22 VAL A 52 14.049 2.908 5.956 1.00 0.99 H new ATOM 0 HG23 VAL A 52 14.660 3.502 7.518 1.00 0.99 H new ATOM 752 N GLY A 53 10.606 0.398 8.627 1.00 0.58 N ATOM 753 CA GLY A 53 9.881 -0.517 9.504 1.00 0.84 C ATOM 754 C GLY A 53 8.687 0.175 10.158 1.00 0.99 C ATOM 755 O GLY A 53 7.993 -0.401 10.987 1.00 1.75 O ATOM 0 H GLY A 53 10.128 0.594 7.747 1.00 0.58 H new ATOM 0 HA2 GLY A 53 9.537 -1.378 8.931 1.00 0.84 H new ATOM 0 HA3 GLY A 53 10.553 -0.895 10.275 1.00 0.84 H new ATOM 759 N LYS A 54 8.402 1.422 9.780 1.00 0.43 N ATOM 760 CA LYS A 54 7.301 2.175 10.320 1.00 0.42 C ATOM 761 C LYS A 54 6.591 2.832 9.141 1.00 0.42 C ATOM 762 O LYS A 54 7.253 3.327 8.232 1.00 0.47 O ATOM 763 CB LYS A 54 7.902 3.183 11.311 1.00 0.50 C ATOM 764 CG LYS A 54 6.840 4.163 11.789 1.00 1.46 C ATOM 765 CD LYS A 54 6.626 4.163 13.306 1.00 1.80 C ATOM 766 CE LYS A 54 5.187 4.609 13.605 1.00 3.28 C ATOM 767 NZ LYS A 54 5.130 5.821 14.446 1.00 3.96 N ATOM 0 H LYS A 54 8.944 1.931 9.082 1.00 0.43 H new ATOM 0 HA LYS A 54 6.566 1.575 10.856 1.00 0.42 H new ATOM 0 HB2 LYS A 54 8.326 2.654 12.164 1.00 0.50 H new ATOM 0 HB3 LYS A 54 8.718 3.727 10.835 1.00 0.50 H new ATOM 0 HG2 LYS A 54 7.119 5.168 11.472 1.00 1.46 H new ATOM 0 HG3 LYS A 54 5.895 3.926 11.300 1.00 1.46 H new ATOM 0 HD2 LYS A 54 6.804 3.167 13.712 1.00 1.80 H new ATOM 0 HD3 LYS A 54 7.337 4.835 13.787 1.00 1.80 H new ATOM 0 HE2 LYS A 54 4.667 4.798 12.666 1.00 3.28 H new ATOM 0 HE3 LYS A 54 4.656 3.799 14.105 1.00 3.28 H new ATOM 0 HZ1 LYS A 54 4.137 6.078 14.617 1.00 3.96 H new ATOM 0 HZ2 LYS A 54 5.601 5.636 15.354 1.00 3.96 H new ATOM 0 HZ3 LYS A 54 5.612 6.604 13.960 1.00 3.96 H new ATOM 781 N ALA A 55 5.257 2.871 9.166 1.00 0.42 N ATOM 782 CA ALA A 55 4.495 3.705 8.250 1.00 0.41 C ATOM 783 C ALA A 55 4.164 5.017 8.961 1.00 0.44 C ATOM 784 O ALA A 55 3.962 5.025 10.178 1.00 0.48 O ATOM 785 CB ALA A 55 3.208 2.969 7.859 1.00 0.39 C ATOM 0 H ALA A 55 4.685 2.330 9.815 1.00 0.42 H new ATOM 0 HA ALA A 55 5.067 3.915 7.346 1.00 0.41 H new ATOM 0 HB1 ALA A 55 2.630 3.587 7.172 1.00 0.39 H new ATOM 0 HB2 ALA A 55 3.461 2.026 7.374 1.00 0.39 H new ATOM 0 HB3 ALA A 55 2.617 2.770 8.753 1.00 0.39 H new ATOM 791 N ARG A 56 4.086 6.126 8.220 1.00 0.46 N ATOM 792 CA ARG A 56 3.624 7.395 8.764 1.00 0.46 C ATOM 793 C ARG A 56 2.494 7.905 7.878 1.00 0.43 C ATOM 794 O ARG A 56 2.647 8.005 6.667 1.00 0.43 O ATOM 795 CB ARG A 56 4.781 8.405 8.841 1.00 0.54 C ATOM 796 CG ARG A 56 4.888 8.981 10.256 1.00 1.01 C ATOM 797 CD ARG A 56 5.856 10.166 10.277 1.00 1.53 C ATOM 798 NE ARG A 56 6.053 10.672 11.644 1.00 2.09 N ATOM 799 CZ ARG A 56 6.733 11.782 11.961 1.00 2.71 C ATOM 800 NH1 ARG A 56 6.883 12.130 13.241 1.00 3.20 N ATOM 801 NH2 ARG A 56 7.259 12.540 11.000 1.00 3.60 N ATOM 0 H ARG A 56 4.341 6.164 7.233 1.00 0.46 H new ATOM 0 HA ARG A 56 3.255 7.260 9.781 1.00 0.46 H new ATOM 0 HB2 ARG A 56 5.717 7.918 8.567 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.619 9.210 8.124 1.00 0.54 H new ATOM 0 HG2 ARG A 56 3.905 9.300 10.601 1.00 1.01 H new ATOM 0 HG3 ARG A 56 5.232 8.209 10.945 1.00 1.01 H new ATOM 0 HD2 ARG A 56 6.815 9.862 9.858 1.00 1.53 H new ATOM 0 HD3 ARG A 56 5.470 10.965 9.644 1.00 1.53 H new ATOM 0 HE ARG A 56 5.641 10.137 12.409 1.00 2.09 H new ATOM 0 HH11 ARG A 56 6.480 11.551 13.978 1.00 3.20 H new ATOM 0 HH12 ARG A 56 7.401 12.975 13.482 1.00 3.20 H new ATOM 0 HH21 ARG A 56 7.144 12.276 10.022 1.00 3.60 H new ATOM 0 HH22 ARG A 56 7.776 13.385 11.243 1.00 3.60 H new ATOM 815 N LEU A 57 1.337 8.203 8.464 1.00 0.51 N ATOM 816 CA LEU A 57 0.261 8.820 7.708 1.00 0.56 C ATOM 817 C LEU A 57 0.590 10.285 7.433 1.00 0.58 C ATOM 818 O LEU A 57 1.334 10.901 8.195 1.00 0.66 O ATOM 819 CB LEU A 57 -1.077 8.639 8.434 1.00 0.72 C ATOM 820 CG LEU A 57 -1.203 9.437 9.742 1.00 0.86 C ATOM 821 CD1 LEU A 57 -2.121 10.647 9.541 1.00 1.57 C ATOM 822 CD2 LEU A 57 -1.785 8.538 10.835 1.00 1.27 C ATOM 0 H LEU A 57 1.126 8.029 9.447 1.00 0.51 H new ATOM 0 HA LEU A 57 0.162 8.325 6.742 1.00 0.56 H new ATOM 0 HB2 LEU A 57 -1.883 8.935 7.763 1.00 0.72 H new ATOM 0 HB3 LEU A 57 -1.217 7.581 8.653 1.00 0.72 H new ATOM 0 HG LEU A 57 -0.214 9.786 10.037 1.00 0.86 H new ATOM 0 HD11 LEU A 57 -2.201 11.202 10.475 1.00 1.57 H new ATOM 0 HD12 LEU A 57 -1.706 11.294 8.768 1.00 1.57 H new ATOM 0 HD13 LEU A 57 -3.110 10.306 9.236 1.00 1.57 H new ATOM 0 HD21 LEU A 57 -1.874 9.104 11.762 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -2.770 8.185 10.529 1.00 1.27 H new ATOM 0 HD23 LEU A 57 -1.126 7.684 10.993 1.00 1.27 H new ATOM 834 N VAL A 58 0.020 10.846 6.367 1.00 0.61 N ATOM 835 CA VAL A 58 0.318 12.185 5.900 1.00 0.71 C ATOM 836 C VAL A 58 -1.013 12.924 5.807 1.00 0.70 C ATOM 837 O VAL A 58 -1.942 12.515 5.103 1.00 0.64 O ATOM 838 CB VAL A 58 1.152 12.156 4.595 1.00 0.82 C ATOM 839 CG1 VAL A 58 1.868 10.817 4.372 1.00 1.68 C ATOM 840 CG2 VAL A 58 0.405 12.511 3.303 1.00 1.19 C ATOM 0 H VAL A 58 -0.676 10.366 5.797 1.00 0.61 H new ATOM 0 HA VAL A 58 0.960 12.730 6.591 1.00 0.71 H new ATOM 0 HB VAL A 58 1.870 12.955 4.781 1.00 0.82 H new ATOM 0 HG11 VAL A 58 2.435 10.858 3.442 1.00 1.68 H new ATOM 0 HG12 VAL A 58 2.546 10.624 5.203 1.00 1.68 H new ATOM 0 HG13 VAL A 58 1.131 10.016 4.312 1.00 1.68 H new ATOM 0 HG21 VAL A 58 1.092 12.456 2.459 1.00 1.19 H new ATOM 0 HG22 VAL A 58 -0.414 11.807 3.151 1.00 1.19 H new ATOM 0 HG23 VAL A 58 0.005 13.522 3.380 1.00 1.19 H new ATOM 850 N LYS A 59 -1.159 13.991 6.591 1.00 0.90 N ATOM 851 CA LYS A 59 -2.420 14.707 6.634 1.00 0.98 C ATOM 852 C LYS A 59 -2.386 15.783 5.559 1.00 0.96 C ATOM 853 O LYS A 59 -2.077 16.935 5.850 1.00 1.35 O ATOM 854 CB LYS A 59 -2.652 15.294 8.027 1.00 1.41 C ATOM 855 CG LYS A 59 -4.111 15.760 8.155 1.00 2.50 C ATOM 856 CD LYS A 59 -4.194 17.103 8.879 1.00 3.03 C ATOM 857 CE LYS A 59 -3.599 16.994 10.287 1.00 3.78 C ATOM 858 NZ LYS A 59 -2.837 18.208 10.649 1.00 4.36 N ATOM 0 H LYS A 59 -0.429 14.370 7.194 1.00 0.90 H new ATOM 0 HA LYS A 59 -3.254 14.033 6.437 1.00 0.98 H new ATOM 0 HB2 LYS A 59 -2.430 14.547 8.789 1.00 1.41 H new ATOM 0 HB3 LYS A 59 -1.976 16.132 8.196 1.00 1.41 H new ATOM 0 HG2 LYS A 59 -4.557 15.849 7.164 1.00 2.50 H new ATOM 0 HG3 LYS A 59 -4.689 15.013 8.699 1.00 2.50 H new ATOM 0 HD2 LYS A 59 -3.659 17.863 8.310 1.00 3.03 H new ATOM 0 HD3 LYS A 59 -5.233 17.425 8.941 1.00 3.03 H new ATOM 0 HE2 LYS A 59 -4.399 16.836 11.010 1.00 3.78 H new ATOM 0 HE3 LYS A 59 -2.945 16.123 10.340 1.00 3.78 H new ATOM 0 HZ1 LYS A 59 -2.448 18.101 11.608 1.00 4.36 H new ATOM 0 HZ2 LYS A 59 -2.059 18.344 9.973 1.00 4.36 H new ATOM 0 HZ3 LYS A 59 -3.467 19.035 10.622 1.00 4.36 H new ATOM 872 N GLY A 60 -2.712 15.411 4.326 1.00 0.78 N ATOM 873 CA GLY A 60 -2.796 16.349 3.240 1.00 0.91 C ATOM 874 C GLY A 60 -4.207 16.911 3.228 1.00 0.84 C ATOM 875 O GLY A 60 -5.179 16.159 3.276 1.00 0.92 O ATOM 0 H GLY A 60 -2.923 14.448 4.063 1.00 0.78 H new ATOM 0 HA2 GLY A 60 -2.066 17.149 3.367 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -2.571 15.859 2.293 1.00 0.91 H new ATOM 879 N ALA A 61 -4.320 18.233 3.143 1.00 0.92 N ATOM 880 CA ALA A 61 -5.601 18.926 3.092 1.00 0.98 C ATOM 881 C ALA A 61 -6.446 18.482 1.899 1.00 0.83 C ATOM 882 O ALA A 61 -7.668 18.587 1.946 1.00 0.85 O ATOM 883 CB ALA A 61 -5.387 20.443 3.064 1.00 1.21 C ATOM 0 H ALA A 61 -3.516 18.859 3.107 1.00 0.92 H new ATOM 0 HA ALA A 61 -6.151 18.661 3.995 1.00 0.98 H new ATOM 0 HB1 ALA A 61 -6.353 20.946 3.026 1.00 1.21 H new ATOM 0 HB2 ALA A 61 -4.852 20.752 3.962 1.00 1.21 H new ATOM 0 HB3 ALA A 61 -4.803 20.712 2.184 1.00 1.21 H new ATOM 889 N ALA A 62 -5.812 17.981 0.835 1.00 0.85 N ATOM 890 CA ALA A 62 -6.530 17.441 -0.305 1.00 0.88 C ATOM 891 C ALA A 62 -7.332 16.215 0.140 1.00 0.78 C ATOM 892 O ALA A 62 -8.547 16.187 -0.035 1.00 0.80 O ATOM 893 CB ALA A 62 -5.544 17.111 -1.433 1.00 1.02 C ATOM 0 H ALA A 62 -4.797 17.942 0.747 1.00 0.85 H new ATOM 0 HA ALA A 62 -7.232 18.178 -0.695 1.00 0.88 H new ATOM 0 HB1 ALA A 62 -6.089 16.706 -2.286 1.00 1.02 H new ATOM 0 HB2 ALA A 62 -5.020 18.018 -1.735 1.00 1.02 H new ATOM 0 HB3 ALA A 62 -4.822 16.374 -1.081 1.00 1.02 H new ATOM 899 N LYS A 63 -6.671 15.199 0.710 1.00 0.74 N ATOM 900 CA LYS A 63 -7.303 14.101 1.407 1.00 0.66 C ATOM 901 C LYS A 63 -6.264 13.365 2.262 1.00 0.70 C ATOM 902 O LYS A 63 -5.068 13.456 1.994 1.00 0.82 O ATOM 903 CB LYS A 63 -8.008 13.195 0.395 1.00 0.69 C ATOM 904 CG LYS A 63 -7.173 12.105 -0.291 1.00 1.98 C ATOM 905 CD LYS A 63 -7.380 10.715 0.321 1.00 3.30 C ATOM 906 CE LYS A 63 -8.685 10.039 -0.125 1.00 3.53 C ATOM 907 NZ LYS A 63 -9.821 10.312 0.781 1.00 3.68 N ATOM 0 H LYS A 63 -5.654 15.128 0.691 1.00 0.74 H new ATOM 0 HA LYS A 63 -8.068 14.467 2.092 1.00 0.66 H new ATOM 0 HB2 LYS A 63 -8.841 12.709 0.903 1.00 0.69 H new ATOM 0 HB3 LYS A 63 -8.435 13.829 -0.382 1.00 0.69 H new ATOM 0 HG2 LYS A 63 -7.430 12.071 -1.350 1.00 1.98 H new ATOM 0 HG3 LYS A 63 -6.118 12.370 -0.227 1.00 1.98 H new ATOM 0 HD2 LYS A 63 -6.538 10.078 0.049 1.00 3.30 H new ATOM 0 HD3 LYS A 63 -7.377 10.801 1.408 1.00 3.30 H new ATOM 0 HE2 LYS A 63 -8.939 10.380 -1.129 1.00 3.53 H new ATOM 0 HE3 LYS A 63 -8.527 8.962 -0.185 1.00 3.53 H new ATOM 0 HZ1 LYS A 63 -10.578 9.621 0.606 1.00 3.68 H new ATOM 0 HZ2 LYS A 63 -9.504 10.235 1.768 1.00 3.68 H new ATOM 0 HZ3 LYS A 63 -10.181 11.272 0.607 1.00 3.68 H new ATOM 921 N HIS A 64 -6.714 12.626 3.279 1.00 0.70 N ATOM 922 CA HIS A 64 -5.835 11.891 4.184 1.00 0.67 C ATOM 923 C HIS A 64 -5.162 10.730 3.448 1.00 0.62 C ATOM 924 O HIS A 64 -5.853 9.840 2.952 1.00 0.81 O ATOM 925 CB HIS A 64 -6.658 11.339 5.356 1.00 0.78 C ATOM 926 CG HIS A 64 -7.502 12.357 6.085 1.00 1.09 C ATOM 927 ND1 HIS A 64 -8.628 12.069 6.824 1.00 1.59 N ATOM 928 CD2 HIS A 64 -7.319 13.715 6.118 1.00 1.06 C ATOM 929 CE1 HIS A 64 -9.113 13.233 7.291 1.00 1.83 C ATOM 930 NE2 HIS A 64 -8.349 14.261 6.888 1.00 1.50 N ATOM 0 H HIS A 64 -7.705 12.522 3.497 1.00 0.70 H new ATOM 0 HA HIS A 64 -5.066 12.568 4.555 1.00 0.67 H new ATOM 0 HB2 HIS A 64 -7.311 10.551 4.981 1.00 0.78 H new ATOM 0 HB3 HIS A 64 -5.978 10.876 6.071 1.00 0.78 H new ATOM 0 HD2 HIS A 64 -6.523 14.263 5.636 1.00 1.06 H new ATOM 0 HE1 HIS A 64 -9.996 13.328 7.906 1.00 1.83 H new ATOM 0 HE2 HIS A 64 -8.493 15.248 7.102 1.00 1.50 H new ATOM 938 N ILE A 65 -3.831 10.702 3.380 1.00 0.47 N ATOM 939 CA ILE A 65 -3.116 9.710 2.586 1.00 0.42 C ATOM 940 C ILE A 65 -2.081 9.058 3.473 1.00 0.51 C ATOM 941 O ILE A 65 -1.313 9.749 4.118 1.00 1.10 O ATOM 942 CB ILE A 65 -2.515 10.384 1.339 1.00 0.44 C ATOM 943 CG1 ILE A 65 -3.645 10.675 0.338 1.00 0.70 C ATOM 944 CG2 ILE A 65 -1.436 9.506 0.685 1.00 0.53 C ATOM 945 CD1 ILE A 65 -3.283 11.757 -0.677 1.00 1.39 C ATOM 0 H ILE A 65 -3.225 11.361 3.870 1.00 0.47 H new ATOM 0 HA ILE A 65 -3.782 8.928 2.220 1.00 0.42 H new ATOM 0 HB ILE A 65 -2.034 11.314 1.642 1.00 0.44 H new ATOM 0 HG12 ILE A 65 -3.897 9.757 -0.193 1.00 0.70 H new ATOM 0 HG13 ILE A 65 -4.536 10.982 0.885 1.00 0.70 H new ATOM 0 HG21 ILE A 65 -1.035 10.015 -0.192 1.00 0.53 H new ATOM 0 HG22 ILE A 65 -0.632 9.325 1.399 1.00 0.53 H new ATOM 0 HG23 ILE A 65 -1.874 8.555 0.384 1.00 0.53 H new ATOM 0 HD11 ILE A 65 -4.122 11.915 -1.355 1.00 1.39 H new ATOM 0 HD12 ILE A 65 -3.059 12.686 -0.154 1.00 1.39 H new ATOM 0 HD13 ILE A 65 -2.410 11.442 -1.248 1.00 1.39 H new ATOM 957 N ILE A 66 -2.067 7.731 3.548 1.00 0.37 N ATOM 958 CA ILE A 66 -1.146 7.026 4.414 1.00 0.31 C ATOM 959 C ILE A 66 0.064 6.652 3.566 1.00 0.32 C ATOM 960 O ILE A 66 -0.050 6.269 2.401 1.00 0.36 O ATOM 961 CB ILE A 66 -1.816 5.808 5.078 1.00 0.36 C ATOM 962 CG1 ILE A 66 -2.907 6.129 6.126 1.00 0.90 C ATOM 963 CG2 ILE A 66 -0.795 4.967 5.847 1.00 0.52 C ATOM 964 CD1 ILE A 66 -3.656 7.444 5.947 1.00 0.92 C ATOM 0 H ILE A 66 -2.689 7.125 3.014 1.00 0.37 H new ATOM 0 HA ILE A 66 -0.828 7.656 5.245 1.00 0.31 H new ATOM 0 HB ILE A 66 -2.267 5.298 4.227 1.00 0.36 H new ATOM 0 HG12 ILE A 66 -3.635 5.318 6.120 1.00 0.90 H new ATOM 0 HG13 ILE A 66 -2.442 6.133 7.112 1.00 0.90 H new ATOM 0 HG21 ILE A 66 -1.297 4.115 6.305 1.00 0.52 H new ATOM 0 HG22 ILE A 66 -0.027 4.610 5.161 1.00 0.52 H new ATOM 0 HG23 ILE A 66 -0.333 5.576 6.624 1.00 0.52 H new ATOM 0 HD11 ILE A 66 -4.393 7.554 6.742 1.00 0.92 H new ATOM 0 HD12 ILE A 66 -2.950 8.273 5.989 1.00 0.92 H new ATOM 0 HD13 ILE A 66 -4.161 7.446 4.981 1.00 0.92 H new ATOM 976 N HIS A 67 1.233 6.741 4.183 1.00 0.31 N ATOM 977 CA HIS A 67 2.503 6.436 3.560 1.00 0.35 C ATOM 978 C HIS A 67 3.149 5.350 4.399 1.00 0.37 C ATOM 979 O HIS A 67 3.130 5.396 5.626 1.00 0.54 O ATOM 980 CB HIS A 67 3.375 7.699 3.486 1.00 0.46 C ATOM 981 CG HIS A 67 3.338 8.434 2.170 1.00 0.99 C ATOM 982 ND1 HIS A 67 4.250 9.390 1.787 1.00 1.69 N ATOM 983 CD2 HIS A 67 2.485 8.231 1.116 1.00 1.63 C ATOM 984 CE1 HIS A 67 3.968 9.735 0.520 1.00 2.28 C ATOM 985 NE2 HIS A 67 2.903 9.053 0.065 1.00 2.30 N ATOM 0 H HIS A 67 1.322 7.035 5.156 1.00 0.31 H new ATOM 0 HA HIS A 67 2.376 6.089 2.535 1.00 0.35 H new ATOM 0 HB2 HIS A 67 3.061 8.383 4.274 1.00 0.46 H new ATOM 0 HB3 HIS A 67 4.407 7.420 3.698 1.00 0.46 H new ATOM 0 HD1 HIS A 67 5.004 9.768 2.361 1.00 1.69 H new ATOM 0 HD2 HIS A 67 1.641 7.557 1.100 1.00 1.63 H new ATOM 0 HE1 HIS A 67 4.522 10.462 -0.055 1.00 2.28 H new ATOM 993 N ALA A 68 3.698 4.343 3.734 1.00 0.39 N ATOM 994 CA ALA A 68 4.272 3.183 4.381 1.00 0.44 C ATOM 995 C ALA A 68 5.621 2.913 3.753 1.00 0.36 C ATOM 996 O ALA A 68 5.842 3.209 2.579 1.00 0.39 O ATOM 997 CB ALA A 68 3.325 1.998 4.231 1.00 0.59 C ATOM 0 H ALA A 68 3.755 4.313 2.716 1.00 0.39 H new ATOM 0 HA ALA A 68 4.412 3.354 5.448 1.00 0.44 H new ATOM 0 HB1 ALA A 68 3.756 1.124 4.718 1.00 0.59 H new ATOM 0 HB2 ALA A 68 2.368 2.236 4.695 1.00 0.59 H new ATOM 0 HB3 ALA A 68 3.173 1.786 3.173 1.00 0.59 H new ATOM 1003 N VAL A 69 6.552 2.383 4.533 1.00 0.48 N ATOM 1004 CA VAL A 69 7.877 2.156 4.061 1.00 0.57 C ATOM 1005 C VAL A 69 7.881 0.785 3.399 1.00 0.63 C ATOM 1006 O VAL A 69 7.556 -0.208 4.036 1.00 0.70 O ATOM 1007 CB VAL A 69 8.841 2.329 5.236 1.00 0.64 C ATOM 1008 CG1 VAL A 69 10.226 1.799 4.879 1.00 1.36 C ATOM 1009 CG2 VAL A 69 8.914 3.807 5.611 1.00 1.50 C ATOM 0 H VAL A 69 6.395 2.106 5.502 1.00 0.48 H new ATOM 0 HA VAL A 69 8.214 2.868 3.308 1.00 0.57 H new ATOM 0 HB VAL A 69 8.474 1.757 6.088 1.00 0.64 H new ATOM 0 HG11 VAL A 69 10.896 1.932 5.728 1.00 1.36 H new ATOM 0 HG12 VAL A 69 10.158 0.739 4.633 1.00 1.36 H new ATOM 0 HG13 VAL A 69 10.615 2.347 4.021 1.00 1.36 H new ATOM 0 HG21 VAL A 69 9.600 3.937 6.448 1.00 1.50 H new ATOM 0 HG22 VAL A 69 9.272 4.382 4.757 1.00 1.50 H new ATOM 0 HG23 VAL A 69 7.923 4.159 5.896 1.00 1.50 H new ATOM 1019 N GLY A 70 8.209 0.757 2.108 1.00 0.90 N ATOM 1020 CA GLY A 70 8.344 -0.446 1.300 1.00 1.18 C ATOM 1021 C GLY A 70 9.711 -0.471 0.611 1.00 1.59 C ATOM 1022 O GLY A 70 9.841 -0.067 -0.542 1.00 1.92 O ATOM 0 H GLY A 70 8.395 1.609 1.578 1.00 0.90 H new ATOM 0 HA2 GLY A 70 8.229 -1.329 1.928 1.00 1.18 H new ATOM 0 HA3 GLY A 70 7.551 -0.481 0.553 1.00 1.18 H new ATOM 1026 N PRO A 71 10.759 -0.947 1.293 1.00 2.17 N ATOM 1027 CA PRO A 71 12.069 -1.107 0.703 1.00 2.52 C ATOM 1028 C PRO A 71 12.011 -2.224 -0.343 1.00 1.66 C ATOM 1029 O PRO A 71 10.950 -2.746 -0.684 1.00 1.32 O ATOM 1030 CB PRO A 71 12.988 -1.427 1.885 1.00 3.49 C ATOM 1031 CG PRO A 71 12.074 -2.262 2.774 1.00 3.47 C ATOM 1032 CD PRO A 71 10.699 -1.624 2.565 1.00 2.72 C ATOM 0 HA PRO A 71 12.435 -0.227 0.174 1.00 2.52 H new ATOM 0 HB2 PRO A 71 13.874 -1.981 1.575 1.00 3.49 H new ATOM 0 HB3 PRO A 71 13.335 -0.525 2.389 1.00 3.49 H new ATOM 0 HG2 PRO A 71 12.079 -3.312 2.482 1.00 3.47 H new ATOM 0 HG3 PRO A 71 12.382 -2.221 3.819 1.00 3.47 H new ATOM 0 HD2 PRO A 71 9.914 -2.381 2.567 1.00 2.72 H new ATOM 0 HD3 PRO A 71 10.468 -0.924 3.368 1.00 2.72 H new ATOM 1040 N ASN A 72 13.161 -2.591 -0.889 1.00 1.50 N ATOM 1041 CA ASN A 72 13.227 -3.297 -2.148 1.00 1.08 C ATOM 1042 C ASN A 72 14.111 -4.512 -1.948 1.00 1.07 C ATOM 1043 O ASN A 72 15.323 -4.371 -1.857 1.00 1.19 O ATOM 1044 CB ASN A 72 13.725 -2.352 -3.263 1.00 1.36 C ATOM 1045 CG ASN A 72 14.931 -1.472 -2.929 1.00 2.03 C ATOM 1046 OD1 ASN A 72 15.464 -1.454 -1.826 1.00 2.94 O ATOM 1047 ND2 ASN A 72 15.362 -0.665 -3.889 1.00 2.96 N ATOM 0 H ASN A 72 14.071 -2.405 -0.467 1.00 1.50 H new ATOM 0 HA ASN A 72 12.243 -3.639 -2.470 1.00 1.08 H new ATOM 0 HB2 ASN A 72 13.976 -2.956 -4.135 1.00 1.36 H new ATOM 0 HB3 ASN A 72 12.899 -1.702 -3.553 1.00 1.36 H new ATOM 0 HD21 ASN A 72 16.138 -0.028 -3.710 1.00 2.96 H new ATOM 0 HD22 ASN A 72 14.917 -0.681 -4.807 1.00 2.96 H new ATOM 1054 N PHE A 73 13.513 -5.710 -1.892 1.00 1.00 N ATOM 1055 CA PHE A 73 14.250 -6.965 -1.732 1.00 1.05 C ATOM 1056 C PHE A 73 15.343 -7.108 -2.795 1.00 0.96 C ATOM 1057 O PHE A 73 16.330 -7.800 -2.570 1.00 1.03 O ATOM 1058 CB PHE A 73 13.283 -8.161 -1.688 1.00 1.13 C ATOM 1059 CG PHE A 73 13.895 -9.507 -2.041 1.00 1.95 C ATOM 1060 CD1 PHE A 73 14.071 -9.861 -3.391 1.00 3.61 C ATOM 1061 CD2 PHE A 73 14.299 -10.405 -1.037 1.00 2.72 C ATOM 1062 CE1 PHE A 73 14.608 -11.107 -3.745 1.00 4.98 C ATOM 1063 CE2 PHE A 73 14.844 -11.654 -1.387 1.00 3.82 C ATOM 1064 CZ PHE A 73 14.990 -12.010 -2.740 1.00 4.77 C ATOM 0 H PHE A 73 12.503 -5.833 -1.957 1.00 1.00 H new ATOM 0 HA PHE A 73 14.768 -6.948 -0.773 1.00 1.05 H new ATOM 0 HB2 PHE A 73 12.857 -8.226 -0.687 1.00 1.13 H new ATOM 0 HB3 PHE A 73 12.458 -7.965 -2.373 1.00 1.13 H new ATOM 0 HD1 PHE A 73 13.789 -9.163 -4.166 1.00 3.61 H new ATOM 0 HD2 PHE A 73 14.191 -10.136 0.003 1.00 2.72 H new ATOM 0 HE1 PHE A 73 14.727 -11.371 -4.785 1.00 4.98 H new ATOM 0 HE2 PHE A 73 15.152 -12.342 -0.614 1.00 3.82 H new ATOM 0 HZ PHE A 73 15.395 -12.975 -3.005 1.00 4.77 H new ATOM 1074 N ASN A 74 15.244 -6.387 -3.914 1.00 0.89 N ATOM 1075 CA ASN A 74 16.308 -6.345 -4.907 1.00 0.90 C ATOM 1076 C ASN A 74 17.688 -6.074 -4.277 1.00 1.00 C ATOM 1077 O ASN A 74 18.703 -6.589 -4.737 1.00 1.12 O ATOM 1078 CB ASN A 74 15.948 -5.307 -5.979 1.00 0.93 C ATOM 1079 CG ASN A 74 16.683 -5.538 -7.294 1.00 1.22 C ATOM 1080 OD1 ASN A 74 17.445 -6.476 -7.462 1.00 2.05 O ATOM 1081 ND2 ASN A 74 16.452 -4.679 -8.279 1.00 1.60 N ATOM 0 H ASN A 74 14.429 -5.822 -4.152 1.00 0.89 H new ATOM 0 HA ASN A 74 16.391 -7.326 -5.375 1.00 0.90 H new ATOM 0 HB2 ASN A 74 14.873 -5.335 -6.159 1.00 0.93 H new ATOM 0 HB3 ASN A 74 16.183 -4.310 -5.607 1.00 0.93 H new ATOM 0 HD21 ASN A 74 16.912 -4.802 -9.181 1.00 1.60 H new ATOM 0 HD22 ASN A 74 15.814 -3.896 -8.134 1.00 1.60 H new ATOM 1088 N LYS A 75 17.734 -5.262 -3.212 1.00 1.05 N ATOM 1089 CA LYS A 75 18.921 -4.996 -2.397 1.00 1.10 C ATOM 1090 C LYS A 75 18.656 -5.229 -0.898 1.00 1.04 C ATOM 1091 O LYS A 75 19.442 -4.780 -0.067 1.00 1.10 O ATOM 1092 CB LYS A 75 19.392 -3.549 -2.633 1.00 1.28 C ATOM 1093 CG LYS A 75 20.407 -3.387 -3.769 1.00 1.48 C ATOM 1094 CD LYS A 75 19.800 -3.413 -5.173 1.00 2.17 C ATOM 1095 CE LYS A 75 20.830 -2.836 -6.148 1.00 2.29 C ATOM 1096 NZ LYS A 75 20.339 -2.858 -7.541 1.00 3.78 N ATOM 0 H LYS A 75 16.912 -4.754 -2.884 1.00 1.05 H new ATOM 0 HA LYS A 75 19.701 -5.695 -2.701 1.00 1.10 H new ATOM 0 HB2 LYS A 75 18.522 -2.928 -2.849 1.00 1.28 H new ATOM 0 HB3 LYS A 75 19.834 -3.170 -1.712 1.00 1.28 H new ATOM 0 HG2 LYS A 75 20.937 -2.444 -3.634 1.00 1.48 H new ATOM 0 HG3 LYS A 75 21.148 -4.183 -3.693 1.00 1.48 H new ATOM 0 HD2 LYS A 75 19.538 -4.433 -5.456 1.00 2.17 H new ATOM 0 HD3 LYS A 75 18.880 -2.828 -5.201 1.00 2.17 H new ATOM 0 HE2 LYS A 75 21.067 -1.811 -5.862 1.00 2.29 H new ATOM 0 HE3 LYS A 75 21.755 -3.408 -6.080 1.00 2.29 H new ATOM 0 HZ1 LYS A 75 21.064 -2.459 -8.171 1.00 3.78 H new ATOM 0 HZ2 LYS A 75 20.137 -3.839 -7.822 1.00 3.78 H new ATOM 0 HZ3 LYS A 75 19.470 -2.291 -7.612 1.00 3.78 H new ATOM 1110 N VAL A 76 17.597 -5.944 -0.519 1.00 1.02 N ATOM 1111 CA VAL A 76 17.280 -6.215 0.885 1.00 1.08 C ATOM 1112 C VAL A 76 17.167 -7.725 1.070 1.00 1.09 C ATOM 1113 O VAL A 76 16.555 -8.406 0.254 1.00 1.07 O ATOM 1114 CB VAL A 76 16.023 -5.422 1.313 1.00 1.09 C ATOM 1115 CG1 VAL A 76 15.013 -6.225 2.137 1.00 0.98 C ATOM 1116 CG2 VAL A 76 16.462 -4.209 2.129 1.00 1.44 C ATOM 0 H VAL A 76 16.933 -6.353 -1.177 1.00 1.02 H new ATOM 0 HA VAL A 76 18.073 -5.869 1.548 1.00 1.08 H new ATOM 0 HB VAL A 76 15.513 -5.141 0.392 1.00 1.09 H new ATOM 0 HG11 VAL A 76 14.165 -5.590 2.392 1.00 0.98 H new ATOM 0 HG12 VAL A 76 14.665 -7.078 1.555 1.00 0.98 H new ATOM 0 HG13 VAL A 76 15.489 -6.579 3.051 1.00 0.98 H new ATOM 0 HG21 VAL A 76 15.584 -3.641 2.437 1.00 1.44 H new ATOM 0 HG22 VAL A 76 17.007 -4.542 3.012 1.00 1.44 H new ATOM 0 HG23 VAL A 76 17.109 -3.576 1.521 1.00 1.44 H new ATOM 1126 N SER A 77 17.763 -8.268 2.134 1.00 1.21 N ATOM 1127 CA SER A 77 17.727 -9.688 2.390 1.00 1.29 C ATOM 1128 C SER A 77 16.292 -10.057 2.718 1.00 1.23 C ATOM 1129 O SER A 77 15.597 -9.278 3.361 1.00 1.17 O ATOM 1130 CB SER A 77 18.634 -9.984 3.586 1.00 1.47 C ATOM 1131 OG SER A 77 19.859 -9.296 3.442 1.00 2.37 O ATOM 0 H SER A 77 18.278 -7.730 2.831 1.00 1.21 H new ATOM 0 HA SER A 77 18.071 -10.262 1.529 1.00 1.29 H new ATOM 0 HB2 SER A 77 18.143 -9.680 4.510 1.00 1.47 H new ATOM 0 HB3 SER A 77 18.816 -11.056 3.659 1.00 1.47 H new ATOM 0 HG SER A 77 20.435 -9.488 4.212 1.00 2.37 H new ATOM 1137 N GLU A 78 15.866 -11.266 2.366 1.00 1.26 N ATOM 1138 CA GLU A 78 14.528 -11.748 2.671 1.00 1.24 C ATOM 1139 C GLU A 78 14.248 -11.702 4.166 1.00 1.18 C ATOM 1140 O GLU A 78 13.101 -11.609 4.575 1.00 1.10 O ATOM 1141 CB GLU A 78 14.372 -13.185 2.174 1.00 1.30 C ATOM 1142 CG GLU A 78 13.022 -13.335 1.472 1.00 1.34 C ATOM 1143 CD GLU A 78 12.715 -14.800 1.168 1.00 1.65 C ATOM 1144 OE1 GLU A 78 12.938 -15.201 0.003 1.00 2.41 O ATOM 1145 OE2 GLU A 78 12.289 -15.504 2.108 1.00 2.54 O ATOM 0 H GLU A 78 16.442 -11.939 1.860 1.00 1.26 H new ATOM 0 HA GLU A 78 13.814 -11.096 2.167 1.00 1.24 H new ATOM 0 HB2 GLU A 78 15.181 -13.434 1.487 1.00 1.30 H new ATOM 0 HB3 GLU A 78 14.439 -13.880 3.011 1.00 1.30 H new ATOM 0 HG2 GLU A 78 12.235 -12.919 2.100 1.00 1.34 H new ATOM 0 HG3 GLU A 78 13.026 -12.762 0.545 1.00 1.34 H new ATOM 1152 N VAL A 79 15.297 -11.766 4.986 1.00 1.23 N ATOM 1153 CA VAL A 79 15.134 -11.707 6.431 1.00 1.24 C ATOM 1154 C VAL A 79 14.604 -10.331 6.787 1.00 1.11 C ATOM 1155 O VAL A 79 13.653 -10.194 7.552 1.00 1.03 O ATOM 1156 CB VAL A 79 16.469 -12.002 7.132 1.00 1.38 C ATOM 1157 CG1 VAL A 79 16.399 -11.744 8.642 1.00 1.49 C ATOM 1158 CG2 VAL A 79 16.856 -13.466 6.901 1.00 1.45 C ATOM 0 H VAL A 79 16.263 -11.858 4.672 1.00 1.23 H new ATOM 0 HA VAL A 79 14.426 -12.463 6.770 1.00 1.24 H new ATOM 0 HB VAL A 79 17.215 -11.331 6.706 1.00 1.38 H new ATOM 0 HG11 VAL A 79 17.366 -11.966 9.094 1.00 1.49 H new ATOM 0 HG12 VAL A 79 16.146 -10.699 8.821 1.00 1.49 H new ATOM 0 HG13 VAL A 79 15.635 -12.383 9.085 1.00 1.49 H new ATOM 0 HG21 VAL A 79 17.803 -13.675 7.398 1.00 1.45 H new ATOM 0 HG22 VAL A 79 16.081 -14.116 7.308 1.00 1.45 H new ATOM 0 HG23 VAL A 79 16.959 -13.651 5.832 1.00 1.45 H new ATOM 1168 N GLU A 80 15.233 -9.287 6.254 1.00 1.11 N ATOM 1169 CA GLU A 80 14.833 -7.961 6.665 1.00 0.99 C ATOM 1170 C GLU A 80 13.522 -7.607 5.997 1.00 0.87 C ATOM 1171 O GLU A 80 12.661 -7.028 6.638 1.00 0.71 O ATOM 1172 CB GLU A 80 15.949 -6.956 6.380 1.00 1.13 C ATOM 1173 CG GLU A 80 15.828 -5.728 7.296 1.00 1.21 C ATOM 1174 CD GLU A 80 16.208 -6.052 8.748 1.00 1.76 C ATOM 1175 OE1 GLU A 80 17.309 -5.635 9.164 1.00 2.60 O ATOM 1176 OE2 GLU A 80 15.409 -6.736 9.433 1.00 2.69 O ATOM 0 H GLU A 80 15.987 -9.334 5.568 1.00 1.11 H new ATOM 0 HA GLU A 80 14.667 -7.930 7.742 1.00 0.99 H new ATOM 0 HB2 GLU A 80 16.919 -7.431 6.528 1.00 1.13 H new ATOM 0 HB3 GLU A 80 15.904 -6.643 5.337 1.00 1.13 H new ATOM 0 HG2 GLU A 80 16.472 -4.932 6.922 1.00 1.21 H new ATOM 0 HG3 GLU A 80 14.805 -5.352 7.264 1.00 1.21 H new ATOM 1183 N GLY A 81 13.325 -7.991 4.739 1.00 0.97 N ATOM 1184 CA GLY A 81 12.074 -7.730 4.063 1.00 0.87 C ATOM 1185 C GLY A 81 10.911 -8.546 4.602 1.00 0.80 C ATOM 1186 O GLY A 81 9.775 -8.125 4.438 1.00 0.69 O ATOM 0 H GLY A 81 14.018 -8.482 4.175 1.00 0.97 H new ATOM 0 HA2 GLY A 81 11.836 -6.670 4.153 1.00 0.87 H new ATOM 0 HA3 GLY A 81 12.194 -7.941 3.000 1.00 0.87 H new ATOM 1190 N ASP A 82 11.150 -9.694 5.233 1.00 0.90 N ATOM 1191 CA ASP A 82 10.099 -10.432 5.924 1.00 0.88 C ATOM 1192 C ASP A 82 9.580 -9.558 7.053 1.00 0.74 C ATOM 1193 O ASP A 82 8.399 -9.214 7.109 1.00 0.67 O ATOM 1194 CB ASP A 82 10.649 -11.755 6.474 1.00 1.07 C ATOM 1195 CG ASP A 82 9.748 -12.328 7.569 1.00 1.30 C ATOM 1196 OD1 ASP A 82 10.161 -12.241 8.747 1.00 2.87 O ATOM 1197 OD2 ASP A 82 8.660 -12.826 7.212 1.00 1.52 O ATOM 0 H ASP A 82 12.069 -10.134 5.279 1.00 0.90 H new ATOM 0 HA ASP A 82 9.289 -10.673 5.235 1.00 0.88 H new ATOM 0 HB2 ASP A 82 10.740 -12.477 5.663 1.00 1.07 H new ATOM 0 HB3 ASP A 82 11.651 -11.595 6.873 1.00 1.07 H new ATOM 1202 N LYS A 83 10.487 -9.140 7.935 1.00 0.73 N ATOM 1203 CA LYS A 83 10.064 -8.380 9.098 1.00 0.61 C ATOM 1204 C LYS A 83 9.497 -7.048 8.661 1.00 0.57 C ATOM 1205 O LYS A 83 8.483 -6.635 9.197 1.00 0.56 O ATOM 1206 CB LYS A 83 11.193 -8.199 10.112 1.00 0.66 C ATOM 1207 CG LYS A 83 11.335 -9.459 10.984 1.00 0.71 C ATOM 1208 CD LYS A 83 12.710 -10.127 10.898 1.00 1.29 C ATOM 1209 CE LYS A 83 13.769 -9.456 11.782 1.00 2.27 C ATOM 1210 NZ LYS A 83 14.134 -8.098 11.325 1.00 3.18 N ATOM 0 H LYS A 83 11.490 -9.311 7.867 1.00 0.73 H new ATOM 0 HA LYS A 83 9.284 -8.947 9.606 1.00 0.61 H new ATOM 0 HB2 LYS A 83 12.130 -8.001 9.592 1.00 0.66 H new ATOM 0 HB3 LYS A 83 10.990 -7.333 10.742 1.00 0.66 H new ATOM 0 HG2 LYS A 83 11.136 -9.193 12.022 1.00 0.71 H new ATOM 0 HG3 LYS A 83 10.573 -10.180 10.688 1.00 0.71 H new ATOM 0 HD2 LYS A 83 12.616 -11.174 11.187 1.00 1.29 H new ATOM 0 HD3 LYS A 83 13.049 -10.112 9.862 1.00 1.29 H new ATOM 0 HE2 LYS A 83 13.397 -9.400 12.805 1.00 2.27 H new ATOM 0 HE3 LYS A 83 14.664 -10.078 11.802 1.00 2.27 H new ATOM 0 HZ1 LYS A 83 14.912 -7.732 11.910 1.00 3.18 H new ATOM 0 HZ2 LYS A 83 14.437 -8.136 10.331 1.00 3.18 H new ATOM 0 HZ3 LYS A 83 13.310 -7.469 11.412 1.00 3.18 H new ATOM 1224 N GLN A 84 10.104 -6.388 7.679 1.00 0.56 N ATOM 1225 CA GLN A 84 9.626 -5.107 7.200 1.00 0.52 C ATOM 1226 C GLN A 84 8.236 -5.304 6.618 1.00 0.52 C ATOM 1227 O GLN A 84 7.379 -4.453 6.798 1.00 0.54 O ATOM 1228 CB GLN A 84 10.611 -4.477 6.196 1.00 0.60 C ATOM 1229 CG GLN A 84 10.257 -4.677 4.718 1.00 2.35 C ATOM 1230 CD GLN A 84 9.087 -3.810 4.266 1.00 3.63 C ATOM 1231 OE1 GLN A 84 8.960 -2.672 4.690 1.00 2.92 O ATOM 1232 NE2 GLN A 84 8.233 -4.318 3.388 1.00 5.73 N ATOM 0 H GLN A 84 10.937 -6.729 7.199 1.00 0.56 H new ATOM 0 HA GLN A 84 9.562 -4.398 8.025 1.00 0.52 H new ATOM 0 HB2 GLN A 84 10.674 -3.407 6.396 1.00 0.60 H new ATOM 0 HB3 GLN A 84 11.602 -4.893 6.375 1.00 0.60 H new ATOM 0 HG2 GLN A 84 11.130 -4.448 4.106 1.00 2.35 H new ATOM 0 HG3 GLN A 84 10.013 -5.725 4.547 1.00 2.35 H new ATOM 0 HE21 GLN A 84 8.358 -5.271 3.047 1.00 5.73 H new ATOM 0 HE22 GLN A 84 7.451 -3.756 3.053 1.00 5.73 H new ATOM 1241 N LEU A 85 8.000 -6.396 5.884 1.00 0.52 N ATOM 1242 CA LEU A 85 6.702 -6.597 5.259 1.00 0.52 C ATOM 1243 C LEU A 85 5.658 -6.728 6.354 1.00 0.50 C ATOM 1244 O LEU A 85 4.585 -6.139 6.247 1.00 0.50 O ATOM 1245 CB LEU A 85 6.733 -7.804 4.306 1.00 0.58 C ATOM 1246 CG LEU A 85 5.458 -8.008 3.468 1.00 0.59 C ATOM 1247 CD1 LEU A 85 5.160 -6.769 2.617 1.00 0.86 C ATOM 1248 CD2 LEU A 85 5.671 -9.190 2.518 1.00 0.89 C ATOM 0 H LEU A 85 8.680 -7.137 5.714 1.00 0.52 H new ATOM 0 HA LEU A 85 6.439 -5.741 4.638 1.00 0.52 H new ATOM 0 HB2 LEU A 85 7.580 -7.691 3.629 1.00 0.58 H new ATOM 0 HB3 LEU A 85 6.912 -8.705 4.892 1.00 0.58 H new ATOM 0 HG LEU A 85 4.626 -8.190 4.148 1.00 0.59 H new ATOM 0 HD11 LEU A 85 4.255 -6.937 2.034 1.00 0.86 H new ATOM 0 HD12 LEU A 85 5.017 -5.906 3.268 1.00 0.86 H new ATOM 0 HD13 LEU A 85 5.996 -6.581 1.943 1.00 0.86 H new ATOM 0 HD21 LEU A 85 4.773 -9.342 1.920 1.00 0.89 H new ATOM 0 HD22 LEU A 85 6.514 -8.980 1.860 1.00 0.89 H new ATOM 0 HD23 LEU A 85 5.878 -10.090 3.097 1.00 0.89 H new ATOM 1260 N ALA A 86 5.986 -7.435 7.436 1.00 0.50 N ATOM 1261 CA ALA A 86 5.063 -7.575 8.546 1.00 0.49 C ATOM 1262 C ALA A 86 4.939 -6.274 9.325 1.00 0.40 C ATOM 1263 O ALA A 86 3.880 -5.998 9.858 1.00 0.34 O ATOM 1264 CB ALA A 86 5.525 -8.712 9.461 1.00 0.54 C ATOM 0 H ALA A 86 6.878 -7.913 7.561 1.00 0.50 H new ATOM 0 HA ALA A 86 4.077 -7.816 8.149 1.00 0.49 H new ATOM 0 HB1 ALA A 86 4.829 -8.814 10.294 1.00 0.54 H new ATOM 0 HB2 ALA A 86 5.555 -9.644 8.897 1.00 0.54 H new ATOM 0 HB3 ALA A 86 6.520 -8.488 9.845 1.00 0.54 H new ATOM 1270 N GLU A 87 5.983 -5.459 9.390 1.00 0.43 N ATOM 1271 CA GLU A 87 5.997 -4.211 10.133 1.00 0.43 C ATOM 1272 C GLU A 87 5.169 -3.163 9.406 1.00 0.42 C ATOM 1273 O GLU A 87 4.468 -2.366 10.026 1.00 0.41 O ATOM 1274 CB GLU A 87 7.443 -3.730 10.284 1.00 0.46 C ATOM 1275 CG GLU A 87 8.094 -4.326 11.532 1.00 0.56 C ATOM 1276 CD GLU A 87 9.325 -3.526 11.958 1.00 0.78 C ATOM 1277 OE1 GLU A 87 10.196 -3.304 11.085 1.00 1.71 O ATOM 1278 OE2 GLU A 87 9.390 -3.167 13.156 1.00 1.93 O ATOM 0 H GLU A 87 6.864 -5.654 8.915 1.00 0.43 H new ATOM 0 HA GLU A 87 5.565 -4.371 11.121 1.00 0.43 H new ATOM 0 HB2 GLU A 87 8.017 -4.011 9.401 1.00 0.46 H new ATOM 0 HB3 GLU A 87 7.463 -2.642 10.344 1.00 0.46 H new ATOM 0 HG2 GLU A 87 7.371 -4.345 12.347 1.00 0.56 H new ATOM 0 HG3 GLU A 87 8.380 -5.359 11.336 1.00 0.56 H new ATOM 1285 N ALA A 88 5.228 -3.169 8.079 1.00 0.43 N ATOM 1286 CA ALA A 88 4.437 -2.291 7.246 1.00 0.43 C ATOM 1287 C ALA A 88 2.985 -2.704 7.413 1.00 0.38 C ATOM 1288 O ALA A 88 2.127 -1.881 7.705 1.00 0.37 O ATOM 1289 CB ALA A 88 4.899 -2.395 5.787 1.00 0.50 C ATOM 0 H ALA A 88 5.837 -3.795 7.551 1.00 0.43 H new ATOM 0 HA ALA A 88 4.556 -1.248 7.538 1.00 0.43 H new ATOM 0 HB1 ALA A 88 4.298 -1.730 5.167 1.00 0.50 H new ATOM 0 HB2 ALA A 88 5.948 -2.107 5.716 1.00 0.50 H new ATOM 0 HB3 ALA A 88 4.780 -3.421 5.440 1.00 0.50 H new ATOM 1295 N TYR A 89 2.713 -3.998 7.262 1.00 0.40 N ATOM 1296 CA TYR A 89 1.393 -4.583 7.360 1.00 0.42 C ATOM 1297 C TYR A 89 0.829 -4.424 8.765 1.00 0.38 C ATOM 1298 O TYR A 89 -0.376 -4.273 8.908 1.00 0.40 O ATOM 1299 CB TYR A 89 1.493 -6.052 6.932 1.00 0.50 C ATOM 1300 CG TYR A 89 1.503 -6.300 5.428 1.00 0.61 C ATOM 1301 CD1 TYR A 89 2.083 -5.386 4.519 1.00 1.78 C ATOM 1302 CD2 TYR A 89 0.923 -7.481 4.930 1.00 1.87 C ATOM 1303 CE1 TYR A 89 2.080 -5.642 3.135 1.00 1.79 C ATOM 1304 CE2 TYR A 89 0.925 -7.739 3.550 1.00 1.94 C ATOM 1305 CZ TYR A 89 1.498 -6.828 2.644 1.00 0.83 C ATOM 1306 OH TYR A 89 1.457 -7.087 1.307 1.00 0.94 O ATOM 0 H TYR A 89 3.438 -4.687 7.061 1.00 0.40 H new ATOM 0 HA TYR A 89 0.697 -4.067 6.699 1.00 0.42 H new ATOM 0 HB2 TYR A 89 2.403 -6.475 7.358 1.00 0.50 H new ATOM 0 HB3 TYR A 89 0.655 -6.596 7.366 1.00 0.50 H new ATOM 0 HD1 TYR A 89 2.535 -4.479 4.892 1.00 1.78 H new ATOM 0 HD2 TYR A 89 0.475 -8.190 5.610 1.00 1.87 H new ATOM 0 HE1 TYR A 89 2.522 -4.932 2.452 1.00 1.79 H new ATOM 0 HE2 TYR A 89 0.480 -8.650 3.178 1.00 1.94 H new ATOM 0 HH TYR A 89 0.931 -7.898 1.147 1.00 0.94 H new ATOM 1316 N GLU A 90 1.660 -4.406 9.803 1.00 0.37 N ATOM 1317 CA GLU A 90 1.222 -4.164 11.166 1.00 0.39 C ATOM 1318 C GLU A 90 0.981 -2.683 11.375 1.00 0.34 C ATOM 1319 O GLU A 90 0.057 -2.319 12.090 1.00 0.33 O ATOM 1320 CB GLU A 90 2.240 -4.653 12.206 1.00 0.49 C ATOM 1321 CG GLU A 90 2.039 -6.136 12.524 1.00 1.53 C ATOM 1322 CD GLU A 90 2.703 -6.495 13.855 1.00 1.98 C ATOM 1323 OE1 GLU A 90 3.833 -7.024 13.835 1.00 2.98 O ATOM 1324 OE2 GLU A 90 2.073 -6.200 14.900 1.00 2.17 O ATOM 0 H GLU A 90 2.664 -4.561 9.717 1.00 0.37 H new ATOM 0 HA GLU A 90 0.300 -4.728 11.307 1.00 0.39 H new ATOM 0 HB2 GLU A 90 3.251 -4.493 11.832 1.00 0.49 H new ATOM 0 HB3 GLU A 90 2.141 -4.066 13.119 1.00 0.49 H new ATOM 0 HG2 GLU A 90 0.974 -6.363 12.570 1.00 1.53 H new ATOM 0 HG3 GLU A 90 2.461 -6.746 11.725 1.00 1.53 H new ATOM 1331 N SER A 91 1.782 -1.813 10.766 1.00 0.34 N ATOM 1332 CA SER A 91 1.516 -0.392 10.862 1.00 0.35 C ATOM 1333 C SER A 91 0.169 -0.112 10.213 1.00 0.36 C ATOM 1334 O SER A 91 -0.643 0.620 10.765 1.00 0.41 O ATOM 1335 CB SER A 91 2.613 0.436 10.190 1.00 0.38 C ATOM 1336 OG SER A 91 3.861 0.322 10.845 1.00 0.86 O ATOM 0 H SER A 91 2.602 -2.065 10.214 1.00 0.34 H new ATOM 0 HA SER A 91 1.499 -0.104 11.913 1.00 0.35 H new ATOM 0 HB2 SER A 91 2.721 0.116 9.154 1.00 0.38 H new ATOM 0 HB3 SER A 91 2.312 1.483 10.171 1.00 0.38 H new ATOM 0 HG SER A 91 4.239 -0.566 10.677 1.00 0.86 H new ATOM 1342 N ILE A 92 -0.088 -0.704 9.046 1.00 0.36 N ATOM 1343 CA ILE A 92 -1.297 -0.442 8.294 1.00 0.41 C ATOM 1344 C ILE A 92 -2.466 -1.044 9.061 1.00 0.41 C ATOM 1345 O ILE A 92 -3.469 -0.380 9.270 1.00 0.40 O ATOM 1346 CB ILE A 92 -1.136 -0.987 6.857 1.00 0.46 C ATOM 1347 CG1 ILE A 92 -0.614 0.103 5.899 1.00 0.57 C ATOM 1348 CG2 ILE A 92 -2.438 -1.550 6.285 1.00 0.50 C ATOM 1349 CD1 ILE A 92 0.834 -0.137 5.475 1.00 1.02 C ATOM 0 H ILE A 92 0.540 -1.375 8.604 1.00 0.36 H new ATOM 0 HA ILE A 92 -1.494 0.625 8.187 1.00 0.41 H new ATOM 0 HB ILE A 92 -0.412 -1.798 6.934 1.00 0.46 H new ATOM 0 HG12 ILE A 92 -1.248 0.138 5.013 1.00 0.57 H new ATOM 0 HG13 ILE A 92 -0.691 1.076 6.384 1.00 0.57 H new ATOM 0 HG21 ILE A 92 -2.262 -1.918 5.274 1.00 0.50 H new ATOM 0 HG22 ILE A 92 -2.787 -2.369 6.913 1.00 0.50 H new ATOM 0 HG23 ILE A 92 -3.194 -0.765 6.259 1.00 0.50 H new ATOM 0 HD11 ILE A 92 1.152 0.658 4.801 1.00 1.02 H new ATOM 0 HD12 ILE A 92 1.475 -0.144 6.357 1.00 1.02 H new ATOM 0 HD13 ILE A 92 0.909 -1.097 4.964 1.00 1.02 H new ATOM 1361 N ALA A 93 -2.343 -2.295 9.492 1.00 0.45 N ATOM 1362 CA ALA A 93 -3.437 -3.034 10.107 1.00 0.48 C ATOM 1363 C ALA A 93 -3.833 -2.366 11.414 1.00 0.48 C ATOM 1364 O ALA A 93 -5.007 -2.112 11.677 1.00 0.52 O ATOM 1365 CB ALA A 93 -3.011 -4.482 10.346 1.00 0.53 C ATOM 0 H ALA A 93 -1.475 -2.827 9.423 1.00 0.45 H new ATOM 0 HA ALA A 93 -4.300 -3.033 9.441 1.00 0.48 H new ATOM 0 HB1 ALA A 93 -3.832 -5.032 10.806 1.00 0.53 H new ATOM 0 HB2 ALA A 93 -2.751 -4.947 9.395 1.00 0.53 H new ATOM 0 HB3 ALA A 93 -2.145 -4.502 11.008 1.00 0.53 H new ATOM 1371 N LYS A 94 -2.838 -2.047 12.239 1.00 0.47 N ATOM 1372 CA LYS A 94 -3.092 -1.338 13.474 1.00 0.48 C ATOM 1373 C LYS A 94 -3.715 0.008 13.145 1.00 0.47 C ATOM 1374 O LYS A 94 -4.688 0.364 13.789 1.00 0.49 O ATOM 1375 CB LYS A 94 -1.822 -1.230 14.324 1.00 0.50 C ATOM 1376 CG LYS A 94 -1.426 -2.640 14.785 1.00 1.14 C ATOM 1377 CD LYS A 94 -0.123 -2.665 15.584 1.00 1.69 C ATOM 1378 CE LYS A 94 0.266 -4.138 15.737 1.00 2.76 C ATOM 1379 NZ LYS A 94 1.388 -4.355 16.669 1.00 3.63 N ATOM 0 H LYS A 94 -1.857 -2.270 12.069 1.00 0.47 H new ATOM 0 HA LYS A 94 -3.800 -1.894 14.088 1.00 0.48 H new ATOM 0 HB2 LYS A 94 -1.015 -0.780 13.745 1.00 0.50 H new ATOM 0 HB3 LYS A 94 -1.996 -0.584 15.185 1.00 0.50 H new ATOM 0 HG2 LYS A 94 -2.228 -3.055 15.396 1.00 1.14 H new ATOM 0 HG3 LYS A 94 -1.323 -3.286 13.913 1.00 1.14 H new ATOM 0 HD2 LYS A 94 0.659 -2.109 15.067 1.00 1.69 H new ATOM 0 HD3 LYS A 94 -0.257 -2.196 16.559 1.00 1.69 H new ATOM 0 HE2 LYS A 94 -0.600 -4.700 16.086 1.00 2.76 H new ATOM 0 HE3 LYS A 94 0.533 -4.539 14.759 1.00 2.76 H new ATOM 0 HZ1 LYS A 94 1.944 -5.177 16.358 1.00 3.63 H new ATOM 0 HZ2 LYS A 94 1.996 -3.511 16.683 1.00 3.63 H new ATOM 0 HZ3 LYS A 94 1.017 -4.530 17.625 1.00 3.63 H new ATOM 1393 N ILE A 95 -3.236 0.725 12.125 1.00 0.44 N ATOM 1394 CA ILE A 95 -3.820 2.023 11.775 1.00 0.43 C ATOM 1395 C ILE A 95 -5.279 1.858 11.351 1.00 0.43 C ATOM 1396 O ILE A 95 -6.114 2.708 11.638 1.00 0.43 O ATOM 1397 CB ILE A 95 -2.967 2.742 10.702 1.00 0.43 C ATOM 1398 CG1 ILE A 95 -1.770 3.423 11.395 1.00 0.58 C ATOM 1399 CG2 ILE A 95 -3.776 3.799 9.929 1.00 0.81 C ATOM 1400 CD1 ILE A 95 -0.640 3.834 10.439 1.00 0.56 C ATOM 0 H ILE A 95 -2.457 0.435 11.534 1.00 0.44 H new ATOM 0 HA ILE A 95 -3.814 2.662 12.658 1.00 0.43 H new ATOM 0 HB ILE A 95 -2.630 1.996 9.982 1.00 0.43 H new ATOM 0 HG12 ILE A 95 -2.125 4.309 11.922 1.00 0.58 H new ATOM 0 HG13 ILE A 95 -1.366 2.745 12.147 1.00 0.58 H new ATOM 0 HG21 ILE A 95 -3.136 4.277 9.187 1.00 0.81 H new ATOM 0 HG22 ILE A 95 -4.616 3.319 9.427 1.00 0.81 H new ATOM 0 HG23 ILE A 95 -4.150 4.551 10.624 1.00 0.81 H new ATOM 0 HD11 ILE A 95 0.163 4.305 11.006 1.00 0.56 H new ATOM 0 HD12 ILE A 95 -0.255 2.950 9.930 1.00 0.56 H new ATOM 0 HD13 ILE A 95 -1.025 4.538 9.702 1.00 0.56 H new ATOM 1412 N VAL A 96 -5.609 0.771 10.666 1.00 0.48 N ATOM 1413 CA VAL A 96 -6.942 0.520 10.158 1.00 0.55 C ATOM 1414 C VAL A 96 -7.890 0.323 11.335 1.00 0.60 C ATOM 1415 O VAL A 96 -9.024 0.796 11.306 1.00 0.62 O ATOM 1416 CB VAL A 96 -6.887 -0.693 9.211 1.00 0.62 C ATOM 1417 CG1 VAL A 96 -8.263 -1.299 8.934 1.00 0.87 C ATOM 1418 CG2 VAL A 96 -6.277 -0.297 7.861 1.00 0.62 C ATOM 0 H VAL A 96 -4.944 0.030 10.447 1.00 0.48 H new ATOM 0 HA VAL A 96 -7.321 1.364 9.582 1.00 0.55 H new ATOM 0 HB VAL A 96 -6.273 -1.435 9.721 1.00 0.62 H new ATOM 0 HG11 VAL A 96 -8.157 -2.150 8.261 1.00 0.87 H new ATOM 0 HG12 VAL A 96 -8.709 -1.632 9.871 1.00 0.87 H new ATOM 0 HG13 VAL A 96 -8.905 -0.549 8.473 1.00 0.87 H new ATOM 0 HG21 VAL A 96 -6.247 -1.168 7.206 1.00 0.62 H new ATOM 0 HG22 VAL A 96 -6.885 0.482 7.401 1.00 0.62 H new ATOM 0 HG23 VAL A 96 -5.265 0.077 8.015 1.00 0.62 H new ATOM 1428 N ASN A 97 -7.429 -0.350 12.386 1.00 0.64 N ATOM 1429 CA ASN A 97 -8.272 -0.626 13.542 1.00 0.74 C ATOM 1430 C ASN A 97 -8.372 0.619 14.410 1.00 0.73 C ATOM 1431 O ASN A 97 -9.435 0.898 14.963 1.00 0.80 O ATOM 1432 CB ASN A 97 -7.709 -1.801 14.360 1.00 0.83 C ATOM 1433 CG ASN A 97 -8.415 -3.112 14.029 1.00 0.95 C ATOM 1434 OD1 ASN A 97 -8.915 -3.299 12.928 1.00 1.73 O ATOM 1435 ND2 ASN A 97 -8.485 -4.036 14.981 1.00 1.38 N ATOM 0 H ASN A 97 -6.479 -0.713 12.459 1.00 0.64 H new ATOM 0 HA ASN A 97 -9.267 -0.902 13.192 1.00 0.74 H new ATOM 0 HB2 ASN A 97 -6.642 -1.903 14.162 1.00 0.83 H new ATOM 0 HB3 ASN A 97 -7.817 -1.588 15.424 1.00 0.83 H new ATOM 0 HD21 ASN A 97 -8.962 -4.919 14.800 1.00 1.38 H new ATOM 0 HD22 ASN A 97 -8.062 -3.862 15.893 1.00 1.38 H new ATOM 1442 N ASP A 98 -7.266 1.357 14.506 1.00 0.65 N ATOM 1443 CA ASP A 98 -7.097 2.550 15.328 1.00 0.67 C ATOM 1444 C ASP A 98 -8.011 3.649 14.800 1.00 0.66 C ATOM 1445 O ASP A 98 -8.669 4.363 15.551 1.00 0.74 O ATOM 1446 CB ASP A 98 -5.624 2.985 15.276 1.00 0.62 C ATOM 1447 CG ASP A 98 -5.266 4.027 16.330 1.00 1.30 C ATOM 1448 OD1 ASP A 98 -4.401 4.875 16.018 1.00 2.29 O ATOM 1449 OD2 ASP A 98 -5.806 3.915 17.452 1.00 2.48 O ATOM 0 H ASP A 98 -6.421 1.124 13.984 1.00 0.65 H new ATOM 0 HA ASP A 98 -7.364 2.345 16.365 1.00 0.67 H new ATOM 0 HB2 ASP A 98 -4.989 2.109 15.410 1.00 0.62 H new ATOM 0 HB3 ASP A 98 -5.406 3.389 14.287 1.00 0.62 H new ATOM 1454 N ASN A 99 -8.097 3.749 13.474 1.00 0.60 N ATOM 1455 CA ASN A 99 -9.003 4.682 12.821 1.00 0.62 C ATOM 1456 C ASN A 99 -10.369 4.042 12.595 1.00 0.66 C ATOM 1457 O ASN A 99 -11.326 4.715 12.212 1.00 0.67 O ATOM 1458 CB ASN A 99 -8.411 5.112 11.486 1.00 0.58 C ATOM 1459 CG ASN A 99 -8.664 6.590 11.222 1.00 0.86 C ATOM 1460 OD1 ASN A 99 -7.748 7.337 10.901 1.00 0.95 O ATOM 1461 ND2 ASN A 99 -9.903 7.051 11.306 1.00 2.32 N ATOM 0 H ASN A 99 -7.542 3.187 12.829 1.00 0.60 H new ATOM 0 HA ASN A 99 -9.133 5.552 13.465 1.00 0.62 H new ATOM 0 HB2 ASN A 99 -7.339 4.917 11.481 1.00 0.58 H new ATOM 0 HB3 ASN A 99 -8.847 4.517 10.683 1.00 0.58 H new ATOM 0 HD21 ASN A 99 -10.097 8.032 11.103 1.00 2.32 H new ATOM 0 HD22 ASN A 99 -10.663 6.425 11.574 1.00 2.32 H new ATOM 1468 N ASN A 100 -10.446 2.733 12.818 1.00 0.72 N ATOM 1469 CA ASN A 100 -11.651 1.937 12.797 1.00 0.73 C ATOM 1470 C ASN A 100 -12.351 2.040 11.452 1.00 0.65 C ATOM 1471 O ASN A 100 -13.555 2.271 11.382 1.00 0.63 O ATOM 1472 CB ASN A 100 -12.529 2.361 13.978 1.00 0.79 C ATOM 1473 CG ASN A 100 -13.237 1.161 14.570 1.00 0.96 C ATOM 1474 OD1 ASN A 100 -14.450 1.023 14.469 1.00 1.32 O ATOM 1475 ND2 ASN A 100 -12.472 0.273 15.192 1.00 2.15 N ATOM 0 H ASN A 100 -9.618 2.176 13.029 1.00 0.72 H new ATOM 0 HA ASN A 100 -11.415 0.879 12.914 1.00 0.73 H new ATOM 0 HB2 ASN A 100 -11.916 2.842 14.740 1.00 0.79 H new ATOM 0 HB3 ASN A 100 -13.262 3.097 13.648 1.00 0.79 H new ATOM 0 HD21 ASN A 100 -12.891 -0.560 15.607 1.00 2.15 H new ATOM 0 HD22 ASN A 100 -11.465 0.423 15.256 1.00 2.15 H new ATOM 1482 N TYR A 101 -11.592 1.920 10.365 1.00 0.67 N ATOM 1483 CA TYR A 101 -12.168 2.021 9.030 1.00 0.69 C ATOM 1484 C TYR A 101 -13.164 0.900 8.749 1.00 0.98 C ATOM 1485 O TYR A 101 -12.991 -0.242 9.160 1.00 1.29 O ATOM 1486 CB TYR A 101 -11.081 2.047 7.965 1.00 0.83 C ATOM 1487 CG TYR A 101 -10.079 3.182 8.085 1.00 0.67 C ATOM 1488 CD1 TYR A 101 -8.714 2.916 7.887 1.00 1.85 C ATOM 1489 CD2 TYR A 101 -10.498 4.500 8.353 1.00 1.57 C ATOM 1490 CE1 TYR A 101 -7.766 3.949 7.955 1.00 1.97 C ATOM 1491 CE2 TYR A 101 -9.559 5.550 8.386 1.00 1.58 C ATOM 1492 CZ TYR A 101 -8.182 5.271 8.210 1.00 0.96 C ATOM 1493 OH TYR A 101 -7.236 6.245 8.327 1.00 1.32 O ATOM 0 H TYR A 101 -10.586 1.754 10.383 1.00 0.67 H new ATOM 0 HA TYR A 101 -12.715 2.963 8.992 1.00 0.69 H new ATOM 0 HB2 TYR A 101 -10.539 1.102 7.999 1.00 0.83 H new ATOM 0 HB3 TYR A 101 -11.556 2.107 6.986 1.00 0.83 H new ATOM 0 HD1 TYR A 101 -8.391 1.906 7.680 1.00 1.85 H new ATOM 0 HD2 TYR A 101 -11.543 4.706 8.534 1.00 1.57 H new ATOM 0 HE1 TYR A 101 -6.718 3.731 7.812 1.00 1.97 H new ATOM 0 HE2 TYR A 101 -9.889 6.566 8.545 1.00 1.58 H new ATOM 0 HH TYR A 101 -7.340 6.700 9.189 1.00 1.32 H new ATOM 1503 N LYS A 102 -14.223 1.268 8.022 1.00 1.09 N ATOM 1504 CA LYS A 102 -15.274 0.370 7.584 1.00 1.48 C ATOM 1505 C LYS A 102 -14.867 -0.287 6.265 1.00 1.27 C ATOM 1506 O LYS A 102 -15.191 -1.439 6.004 1.00 1.46 O ATOM 1507 CB LYS A 102 -16.599 1.127 7.412 1.00 1.92 C ATOM 1508 CG LYS A 102 -17.359 1.352 8.731 1.00 2.14 C ATOM 1509 CD LYS A 102 -17.182 2.738 9.364 1.00 2.88 C ATOM 1510 CE LYS A 102 -15.733 2.981 9.786 1.00 2.80 C ATOM 1511 NZ LYS A 102 -15.617 3.918 10.923 1.00 3.71 N ATOM 0 H LYS A 102 -14.369 2.230 7.717 1.00 1.09 H new ATOM 0 HA LYS A 102 -15.419 -0.399 8.342 1.00 1.48 H new ATOM 0 HB2 LYS A 102 -16.398 2.093 6.950 1.00 1.92 H new ATOM 0 HB3 LYS A 102 -17.238 0.572 6.725 1.00 1.92 H new ATOM 0 HG2 LYS A 102 -18.421 1.186 8.551 1.00 2.14 H new ATOM 0 HG3 LYS A 102 -17.036 0.599 9.450 1.00 2.14 H new ATOM 0 HD2 LYS A 102 -17.488 3.505 8.653 1.00 2.88 H new ATOM 0 HD3 LYS A 102 -17.835 2.829 10.232 1.00 2.88 H new ATOM 0 HE2 LYS A 102 -15.274 2.030 10.056 1.00 2.80 H new ATOM 0 HE3 LYS A 102 -15.174 3.375 8.938 1.00 2.80 H new ATOM 0 HZ1 LYS A 102 -14.746 3.714 11.453 1.00 3.71 H new ATOM 0 HZ2 LYS A 102 -15.585 4.894 10.566 1.00 3.71 H new ATOM 0 HZ3 LYS A 102 -16.439 3.806 11.551 1.00 3.71 H new ATOM 1525 N SER A 103 -14.155 0.453 5.429 1.00 1.01 N ATOM 1526 CA SER A 103 -13.520 -0.076 4.237 1.00 0.74 C ATOM 1527 C SER A 103 -12.392 0.884 3.916 1.00 0.69 C ATOM 1528 O SER A 103 -12.460 2.051 4.303 1.00 0.81 O ATOM 1529 CB SER A 103 -14.518 -0.177 3.074 1.00 0.91 C ATOM 1530 OG SER A 103 -15.068 1.084 2.745 1.00 1.59 O ATOM 0 H SER A 103 -14.001 1.452 5.564 1.00 1.01 H new ATOM 0 HA SER A 103 -13.147 -1.088 4.397 1.00 0.74 H new ATOM 0 HB2 SER A 103 -14.018 -0.595 2.200 1.00 0.91 H new ATOM 0 HB3 SER A 103 -15.320 -0.865 3.341 1.00 0.91 H new ATOM 0 HG SER A 103 -15.697 0.982 2.000 1.00 1.59 H new ATOM 1536 N VAL A 104 -11.345 0.398 3.264 1.00 0.60 N ATOM 1537 CA VAL A 104 -10.319 1.230 2.702 1.00 0.75 C ATOM 1538 C VAL A 104 -9.769 0.504 1.488 1.00 0.60 C ATOM 1539 O VAL A 104 -9.847 -0.726 1.422 1.00 0.65 O ATOM 1540 CB VAL A 104 -9.218 1.478 3.736 1.00 1.01 C ATOM 1541 CG1 VAL A 104 -9.455 2.790 4.481 1.00 2.27 C ATOM 1542 CG2 VAL A 104 -9.048 0.345 4.758 1.00 1.39 C ATOM 0 H VAL A 104 -11.193 -0.599 3.115 1.00 0.60 H new ATOM 0 HA VAL A 104 -10.717 2.202 2.412 1.00 0.75 H new ATOM 0 HB VAL A 104 -8.295 1.527 3.158 1.00 1.01 H new ATOM 0 HG11 VAL A 104 -8.659 2.943 5.210 1.00 2.27 H new ATOM 0 HG12 VAL A 104 -9.460 3.616 3.770 1.00 2.27 H new ATOM 0 HG13 VAL A 104 -10.415 2.748 4.995 1.00 2.27 H new ATOM 0 HG21 VAL A 104 -8.249 0.600 5.454 1.00 1.39 H new ATOM 0 HG22 VAL A 104 -9.979 0.209 5.309 1.00 1.39 H new ATOM 0 HG23 VAL A 104 -8.796 -0.579 4.238 1.00 1.39 H new ATOM 1552 N ALA A 105 -9.181 1.247 0.549 1.00 0.59 N ATOM 1553 CA ALA A 105 -8.580 0.626 -0.606 1.00 0.69 C ATOM 1554 C ALA A 105 -7.148 0.264 -0.229 1.00 0.82 C ATOM 1555 O ALA A 105 -6.388 1.130 0.197 1.00 0.89 O ATOM 1556 CB ALA A 105 -8.617 1.603 -1.782 1.00 0.76 C ATOM 0 H ALA A 105 -9.114 2.264 0.574 1.00 0.59 H new ATOM 0 HA ALA A 105 -9.118 -0.272 -0.907 1.00 0.69 H new ATOM 0 HB1 ALA A 105 -8.163 1.137 -2.657 1.00 0.76 H new ATOM 0 HB2 ALA A 105 -9.651 1.864 -2.005 1.00 0.76 H new ATOM 0 HB3 ALA A 105 -8.063 2.505 -1.523 1.00 0.76 H new ATOM 1562 N ILE A 106 -6.769 -0.998 -0.410 1.00 0.91 N ATOM 1563 CA ILE A 106 -5.416 -1.480 -0.197 1.00 1.01 C ATOM 1564 C ILE A 106 -4.769 -1.806 -1.544 1.00 0.83 C ATOM 1565 O ILE A 106 -5.417 -2.381 -2.421 1.00 0.99 O ATOM 1566 CB ILE A 106 -5.420 -2.689 0.748 1.00 1.36 C ATOM 1567 CG1 ILE A 106 -6.420 -3.786 0.334 1.00 3.13 C ATOM 1568 CG2 ILE A 106 -5.738 -2.208 2.169 1.00 1.36 C ATOM 1569 CD1 ILE A 106 -5.832 -5.187 0.471 1.00 4.61 C ATOM 0 H ILE A 106 -7.413 -1.728 -0.716 1.00 0.91 H new ATOM 0 HA ILE A 106 -4.821 -0.702 0.282 1.00 1.01 H new ATOM 0 HB ILE A 106 -4.429 -3.141 0.699 1.00 1.36 H new ATOM 0 HG12 ILE A 106 -7.316 -3.709 0.950 1.00 3.13 H new ATOM 0 HG13 ILE A 106 -6.728 -3.623 -0.699 1.00 3.13 H new ATOM 0 HG21 ILE A 106 -5.743 -3.060 2.849 1.00 1.36 H new ATOM 0 HG22 ILE A 106 -4.980 -1.493 2.489 1.00 1.36 H new ATOM 0 HG23 ILE A 106 -6.717 -1.729 2.180 1.00 1.36 H new ATOM 0 HD11 ILE A 106 -6.575 -5.925 0.168 1.00 4.61 H new ATOM 0 HD12 ILE A 106 -4.951 -5.276 -0.165 1.00 4.61 H new ATOM 0 HD13 ILE A 106 -5.549 -5.363 1.509 1.00 4.61 H new ATOM 1581 N PRO A 107 -3.516 -1.394 -1.760 1.00 0.92 N ATOM 1582 CA PRO A 107 -2.777 -1.744 -2.952 1.00 0.90 C ATOM 1583 C PRO A 107 -2.115 -3.100 -2.699 1.00 1.01 C ATOM 1584 O PRO A 107 -2.428 -3.781 -1.723 1.00 1.32 O ATOM 1585 CB PRO A 107 -1.752 -0.615 -3.076 1.00 1.28 C ATOM 1586 CG PRO A 107 -1.364 -0.387 -1.615 1.00 1.66 C ATOM 1587 CD PRO A 107 -2.680 -0.610 -0.865 1.00 1.46 C ATOM 0 HA PRO A 107 -3.369 -1.838 -3.862 1.00 0.90 H new ATOM 0 HB2 PRO A 107 -0.896 -0.904 -3.686 1.00 1.28 H new ATOM 0 HB3 PRO A 107 -2.180 0.279 -3.530 1.00 1.28 H new ATOM 0 HG2 PRO A 107 -0.592 -1.084 -1.290 1.00 1.66 H new ATOM 0 HG3 PRO A 107 -0.974 0.618 -1.454 1.00 1.66 H new ATOM 0 HD2 PRO A 107 -2.511 -1.137 0.074 1.00 1.46 H new ATOM 0 HD3 PRO A 107 -3.155 0.339 -0.617 1.00 1.46 H new ATOM 1595 N LEU A 108 -1.138 -3.469 -3.524 1.00 1.07 N ATOM 1596 CA LEU A 108 -0.231 -4.558 -3.212 1.00 1.21 C ATOM 1597 C LEU A 108 1.182 -4.047 -3.444 1.00 1.13 C ATOM 1598 O LEU A 108 1.411 -3.232 -4.337 1.00 1.16 O ATOM 1599 CB LEU A 108 -0.553 -5.787 -4.071 1.00 1.52 C ATOM 1600 CG LEU A 108 -1.715 -6.606 -3.480 1.00 1.90 C ATOM 1601 CD1 LEU A 108 -2.303 -7.558 -4.525 1.00 2.40 C ATOM 1602 CD2 LEU A 108 -1.202 -7.445 -2.308 1.00 2.38 C ATOM 0 H LEU A 108 -0.958 -3.021 -4.422 1.00 1.07 H new ATOM 0 HA LEU A 108 -0.337 -4.877 -2.175 1.00 1.21 H new ATOM 0 HB2 LEU A 108 -0.810 -5.468 -5.081 1.00 1.52 H new ATOM 0 HB3 LEU A 108 0.333 -6.417 -4.151 1.00 1.52 H new ATOM 0 HG LEU A 108 -2.486 -5.909 -3.152 1.00 1.90 H new ATOM 0 HD11 LEU A 108 -3.122 -8.124 -4.081 1.00 2.40 H new ATOM 0 HD12 LEU A 108 -2.677 -6.983 -5.372 1.00 2.40 H new ATOM 0 HD13 LEU A 108 -1.530 -8.246 -4.867 1.00 2.40 H new ATOM 0 HD21 LEU A 108 -2.024 -8.025 -1.889 1.00 2.38 H new ATOM 0 HD22 LEU A 108 -0.422 -8.121 -2.658 1.00 2.38 H new ATOM 0 HD23 LEU A 108 -0.794 -6.787 -1.541 1.00 2.38 H new ATOM 1614 N LEU A 109 2.110 -4.501 -2.604 1.00 1.20 N ATOM 1615 CA LEU A 109 3.520 -4.176 -2.689 1.00 1.21 C ATOM 1616 C LEU A 109 4.230 -5.484 -3.019 1.00 1.11 C ATOM 1617 O LEU A 109 3.594 -6.536 -3.035 1.00 1.18 O ATOM 1618 CB LEU A 109 4.049 -3.587 -1.370 1.00 1.60 C ATOM 1619 CG LEU A 109 3.381 -2.277 -0.917 1.00 1.29 C ATOM 1620 CD1 LEU A 109 2.018 -2.496 -0.249 1.00 1.53 C ATOM 1621 CD2 LEU A 109 4.291 -1.599 0.112 1.00 1.93 C ATOM 0 H LEU A 109 1.889 -5.122 -1.826 1.00 1.20 H new ATOM 0 HA LEU A 109 3.697 -3.416 -3.450 1.00 1.21 H new ATOM 0 HB2 LEU A 109 3.922 -4.331 -0.583 1.00 1.60 H new ATOM 0 HB3 LEU A 109 5.120 -3.412 -1.474 1.00 1.60 H new ATOM 0 HG LEU A 109 3.228 -1.671 -1.810 1.00 1.29 H new ATOM 0 HD11 LEU A 109 1.599 -1.534 0.047 1.00 1.53 H new ATOM 0 HD12 LEU A 109 1.343 -2.985 -0.951 1.00 1.53 H new ATOM 0 HD13 LEU A 109 2.142 -3.125 0.633 1.00 1.53 H new ATOM 0 HD21 LEU A 109 3.833 -0.668 0.445 1.00 1.93 H new ATOM 0 HD22 LEU A 109 4.430 -2.261 0.967 1.00 1.93 H new ATOM 0 HD23 LEU A 109 5.258 -1.386 -0.343 1.00 1.93 H new ATOM 1633 N SER A 110 5.535 -5.421 -3.292 1.00 1.16 N ATOM 1634 CA SER A 110 6.288 -6.553 -3.819 1.00 1.27 C ATOM 1635 C SER A 110 5.524 -7.256 -4.942 1.00 1.40 C ATOM 1636 O SER A 110 5.406 -8.475 -4.960 1.00 1.81 O ATOM 1637 CB SER A 110 6.741 -7.484 -2.689 1.00 1.53 C ATOM 1638 OG SER A 110 5.647 -7.943 -1.925 1.00 2.23 O ATOM 0 H SER A 110 6.097 -4.581 -3.153 1.00 1.16 H new ATOM 0 HA SER A 110 7.203 -6.184 -4.282 1.00 1.27 H new ATOM 0 HB2 SER A 110 7.274 -8.336 -3.110 1.00 1.53 H new ATOM 0 HB3 SER A 110 7.442 -6.957 -2.042 1.00 1.53 H new ATOM 0 HG SER A 110 5.970 -8.535 -1.214 1.00 2.23 H new ATOM 1644 N THR A 111 5.018 -6.459 -5.881 1.00 1.37 N ATOM 1645 CA THR A 111 4.582 -6.869 -7.192 1.00 1.51 C ATOM 1646 C THR A 111 4.680 -5.630 -8.070 1.00 2.06 C ATOM 1647 O THR A 111 3.670 -5.016 -8.406 1.00 3.30 O ATOM 1648 CB THR A 111 3.141 -7.361 -7.139 1.00 1.79 C ATOM 1649 OG1 THR A 111 2.306 -6.482 -6.409 1.00 2.41 O ATOM 1650 CG2 THR A 111 3.053 -8.757 -6.545 1.00 1.81 C ATOM 0 H THR A 111 4.899 -5.458 -5.728 1.00 1.37 H new ATOM 0 HA THR A 111 5.191 -7.686 -7.579 1.00 1.51 H new ATOM 0 HB THR A 111 2.789 -7.391 -8.170 1.00 1.79 H new ATOM 0 HG1 THR A 111 2.385 -5.576 -6.775 1.00 2.41 H new ATOM 0 HG21 THR A 111 2.011 -9.078 -6.522 1.00 1.81 H new ATOM 0 HG22 THR A 111 3.632 -9.449 -7.156 1.00 1.81 H new ATOM 0 HG23 THR A 111 3.452 -8.747 -5.531 1.00 1.81 H new ATOM 1658 N GLY A 112 5.902 -5.196 -8.353 1.00 1.95 N ATOM 1659 CA GLY A 112 6.119 -3.958 -9.072 1.00 2.65 C ATOM 1660 C GLY A 112 7.611 -3.783 -9.263 1.00 1.69 C ATOM 1661 O GLY A 112 8.204 -4.465 -10.091 1.00 2.08 O ATOM 0 H GLY A 112 6.757 -5.688 -8.093 1.00 1.95 H new ATOM 0 HA2 GLY A 112 5.612 -3.984 -10.036 1.00 2.65 H new ATOM 0 HA3 GLY A 112 5.705 -3.117 -8.516 1.00 2.65 H new ATOM 1665 N ILE A 113 8.232 -2.915 -8.464 1.00 1.31 N ATOM 1666 CA ILE A 113 9.659 -2.648 -8.568 1.00 0.93 C ATOM 1667 C ILE A 113 10.278 -2.643 -7.169 1.00 0.79 C ATOM 1668 O ILE A 113 10.989 -1.714 -6.792 1.00 1.16 O ATOM 1669 CB ILE A 113 9.894 -1.356 -9.380 1.00 1.99 C ATOM 1670 CG1 ILE A 113 9.081 -0.159 -8.846 1.00 1.63 C ATOM 1671 CG2 ILE A 113 9.543 -1.620 -10.854 1.00 3.57 C ATOM 1672 CD1 ILE A 113 9.427 1.144 -9.574 1.00 2.43 C ATOM 0 H ILE A 113 7.760 -2.383 -7.733 1.00 1.31 H new ATOM 0 HA ILE A 113 10.168 -3.437 -9.121 1.00 0.93 H new ATOM 0 HB ILE A 113 10.945 -1.087 -9.280 1.00 1.99 H new ATOM 0 HG12 ILE A 113 8.017 -0.365 -8.959 1.00 1.63 H new ATOM 0 HG13 ILE A 113 9.271 -0.039 -7.779 1.00 1.63 H new ATOM 0 HG21 ILE A 113 9.706 -0.712 -11.435 1.00 3.57 H new ATOM 0 HG22 ILE A 113 10.177 -2.418 -11.242 1.00 3.57 H new ATOM 0 HG23 ILE A 113 8.497 -1.917 -10.931 1.00 3.57 H new ATOM 0 HD11 ILE A 113 8.830 1.959 -9.165 1.00 2.43 H new ATOM 0 HD12 ILE A 113 10.486 1.366 -9.439 1.00 2.43 H new ATOM 0 HD13 ILE A 113 9.212 1.035 -10.637 1.00 2.43 H new ATOM 1684 N PHE A 114 10.032 -3.715 -6.408 1.00 0.77 N ATOM 1685 CA PHE A 114 10.524 -3.867 -5.048 1.00 0.69 C ATOM 1686 C PHE A 114 11.488 -5.051 -4.993 1.00 0.74 C ATOM 1687 O PHE A 114 12.663 -4.884 -4.681 1.00 0.80 O ATOM 1688 CB PHE A 114 9.358 -4.026 -4.072 1.00 1.06 C ATOM 1689 CG PHE A 114 8.376 -2.879 -4.148 1.00 1.41 C ATOM 1690 CD1 PHE A 114 8.675 -1.673 -3.490 1.00 1.61 C ATOM 1691 CD2 PHE A 114 7.212 -2.984 -4.931 1.00 2.89 C ATOM 1692 CE1 PHE A 114 7.823 -0.568 -3.632 1.00 1.86 C ATOM 1693 CE2 PHE A 114 6.349 -1.881 -5.058 1.00 3.30 C ATOM 1694 CZ PHE A 114 6.659 -0.669 -4.416 1.00 2.32 C ATOM 0 H PHE A 114 9.477 -4.508 -6.730 1.00 0.77 H new ATOM 0 HA PHE A 114 11.067 -2.972 -4.746 1.00 0.69 H new ATOM 0 HB2 PHE A 114 8.837 -4.960 -4.283 1.00 1.06 H new ATOM 0 HB3 PHE A 114 9.747 -4.100 -3.056 1.00 1.06 H new ATOM 0 HD1 PHE A 114 9.560 -1.598 -2.876 1.00 1.61 H new ATOM 0 HD2 PHE A 114 6.981 -3.911 -5.434 1.00 2.89 H new ATOM 0 HE1 PHE A 114 8.061 0.363 -3.138 1.00 1.86 H new ATOM 0 HE2 PHE A 114 5.449 -1.965 -5.648 1.00 3.30 H new ATOM 0 HZ PHE A 114 6.005 0.183 -4.525 1.00 2.32 H new ATOM 1704 N SER A 115 11.021 -6.262 -5.306 1.00 0.99 N ATOM 1705 CA SER A 115 11.897 -7.425 -5.328 1.00 1.34 C ATOM 1706 C SER A 115 12.922 -7.359 -6.459 1.00 1.33 C ATOM 1707 O SER A 115 14.004 -7.935 -6.370 1.00 1.71 O ATOM 1708 CB SER A 115 11.042 -8.683 -5.442 1.00 1.69 C ATOM 1709 OG SER A 115 11.828 -9.847 -5.390 1.00 2.94 O ATOM 0 H SER A 115 10.049 -6.457 -5.545 1.00 0.99 H new ATOM 0 HA SER A 115 12.467 -7.445 -4.399 1.00 1.34 H new ATOM 0 HB2 SER A 115 10.310 -8.701 -4.635 1.00 1.69 H new ATOM 0 HB3 SER A 115 10.484 -8.661 -6.378 1.00 1.69 H new ATOM 0 HG SER A 115 12.275 -9.901 -4.520 1.00 2.94 H new ATOM 1715 N GLY A 116 12.589 -6.686 -7.556 1.00 1.12 N ATOM 1716 CA GLY A 116 13.370 -6.780 -8.774 1.00 1.29 C ATOM 1717 C GLY A 116 12.873 -7.984 -9.555 1.00 1.36 C ATOM 1718 O GLY A 116 12.210 -7.821 -10.575 1.00 2.11 O ATOM 0 H GLY A 116 11.780 -6.069 -7.621 1.00 1.12 H new ATOM 0 HA2 GLY A 116 13.264 -5.871 -9.366 1.00 1.29 H new ATOM 0 HA3 GLY A 116 14.429 -6.887 -8.541 1.00 1.29 H new ATOM 1722 N ASN A 117 13.170 -9.195 -9.079 1.00 1.47 N ATOM 1723 CA ASN A 117 12.682 -10.405 -9.723 1.00 1.67 C ATOM 1724 C ASN A 117 12.669 -11.553 -8.711 1.00 1.78 C ATOM 1725 O ASN A 117 13.716 -12.158 -8.488 1.00 2.50 O ATOM 1726 CB ASN A 117 13.572 -10.730 -10.934 1.00 2.49 C ATOM 1727 CG ASN A 117 12.929 -11.774 -11.837 1.00 2.87 C ATOM 1728 OD1 ASN A 117 12.147 -12.606 -11.394 1.00 3.03 O ATOM 1729 ND2 ASN A 117 13.228 -11.730 -13.129 1.00 3.66 N ATOM 0 H ASN A 117 13.745 -9.358 -8.252 1.00 1.47 H new ATOM 0 HA ASN A 117 11.662 -10.259 -10.079 1.00 1.67 H new ATOM 0 HB2 ASN A 117 13.758 -9.820 -11.504 1.00 2.49 H new ATOM 0 HB3 ASN A 117 14.540 -11.093 -10.588 1.00 2.49 H new ATOM 0 HD21 ASN A 117 12.804 -12.397 -13.774 1.00 3.66 H new ATOM 0 HD22 ASN A 117 13.882 -11.029 -13.478 1.00 3.66 H new ATOM 1736 N LYS A 118 11.491 -11.819 -8.119 1.00 1.82 N ATOM 1737 CA LYS A 118 11.118 -12.881 -7.168 1.00 2.15 C ATOM 1738 C LYS A 118 10.105 -12.324 -6.170 1.00 2.16 C ATOM 1739 O LYS A 118 10.388 -12.221 -4.979 1.00 3.44 O ATOM 1740 CB LYS A 118 12.313 -13.545 -6.450 1.00 2.82 C ATOM 1741 CG LYS A 118 12.878 -14.705 -7.280 1.00 3.21 C ATOM 1742 CD LYS A 118 14.252 -15.143 -6.768 1.00 3.94 C ATOM 1743 CE LYS A 118 14.960 -15.899 -7.894 1.00 4.52 C ATOM 1744 NZ LYS A 118 16.204 -16.551 -7.432 1.00 5.04 N ATOM 0 H LYS A 118 10.685 -11.226 -8.319 1.00 1.82 H new ATOM 0 HA LYS A 118 10.671 -13.687 -7.750 1.00 2.15 H new ATOM 0 HB2 LYS A 118 13.094 -12.805 -6.275 1.00 2.82 H new ATOM 0 HB3 LYS A 118 11.997 -13.912 -5.474 1.00 2.82 H new ATOM 0 HG2 LYS A 118 12.189 -15.549 -7.244 1.00 3.21 H new ATOM 0 HG3 LYS A 118 12.957 -14.402 -8.324 1.00 3.21 H new ATOM 0 HD2 LYS A 118 14.839 -14.276 -6.464 1.00 3.94 H new ATOM 0 HD3 LYS A 118 14.146 -15.780 -5.890 1.00 3.94 H new ATOM 0 HE2 LYS A 118 14.287 -16.653 -8.303 1.00 4.52 H new ATOM 0 HE3 LYS A 118 15.193 -15.207 -8.703 1.00 4.52 H new ATOM 0 HZ1 LYS A 118 16.650 -17.051 -8.227 1.00 5.04 H new ATOM 0 HZ2 LYS A 118 16.858 -15.830 -7.066 1.00 5.04 H new ATOM 0 HZ3 LYS A 118 15.980 -17.231 -6.678 1.00 5.04 H new ATOM 1758 N ASP A 119 8.915 -11.956 -6.638 1.00 2.00 N ATOM 1759 CA ASP A 119 7.794 -11.624 -5.767 1.00 1.87 C ATOM 1760 C ASP A 119 6.488 -11.908 -6.515 1.00 1.09 C ATOM 1761 O ASP A 119 6.516 -12.176 -7.718 1.00 1.70 O ATOM 1762 CB ASP A 119 7.905 -10.195 -5.204 1.00 2.80 C ATOM 1763 CG ASP A 119 7.918 -9.032 -6.217 1.00 4.79 C ATOM 1764 OD1 ASP A 119 7.596 -9.265 -7.402 1.00 5.76 O ATOM 1765 OD2 ASP A 119 8.301 -7.905 -5.804 1.00 5.92 O ATOM 0 H ASP A 119 8.702 -11.880 -7.633 1.00 2.00 H new ATOM 0 HA ASP A 119 7.808 -12.258 -4.880 1.00 1.87 H new ATOM 0 HB2 ASP A 119 7.071 -10.037 -4.520 1.00 2.80 H new ATOM 0 HB3 ASP A 119 8.818 -10.136 -4.612 1.00 2.80 H new ATOM 1770 N ARG A 120 5.352 -11.982 -5.806 1.00 0.82 N ATOM 1771 CA ARG A 120 4.071 -12.362 -6.399 1.00 1.17 C ATOM 1772 C ARG A 120 2.920 -11.793 -5.584 1.00 1.07 C ATOM 1773 O ARG A 120 2.995 -11.697 -4.361 1.00 0.94 O ATOM 1774 CB ARG A 120 3.873 -13.882 -6.407 1.00 2.18 C ATOM 1775 CG ARG A 120 4.779 -14.693 -7.342 1.00 2.35 C ATOM 1776 CD ARG A 120 4.556 -14.313 -8.809 1.00 2.48 C ATOM 1777 NE ARG A 120 5.332 -15.178 -9.711 1.00 2.94 N ATOM 1778 CZ ARG A 120 5.638 -14.891 -10.983 1.00 3.67 C ATOM 1779 NH1 ARG A 120 6.308 -15.778 -11.722 1.00 4.33 N ATOM 1780 NH2 ARG A 120 5.270 -13.727 -11.519 1.00 4.33 N ATOM 0 H ARG A 120 5.300 -11.780 -4.808 1.00 0.82 H new ATOM 0 HA ARG A 120 4.082 -11.973 -7.417 1.00 1.17 H new ATOM 0 HB2 ARG A 120 4.018 -14.249 -5.391 1.00 2.18 H new ATOM 0 HB3 ARG A 120 2.837 -14.088 -6.675 1.00 2.18 H new ATOM 0 HG2 ARG A 120 5.822 -14.524 -7.076 1.00 2.35 H new ATOM 0 HG3 ARG A 120 4.584 -15.757 -7.207 1.00 2.35 H new ATOM 0 HD2 ARG A 120 3.496 -14.392 -9.050 1.00 2.48 H new ATOM 0 HD3 ARG A 120 4.842 -13.273 -8.965 1.00 2.48 H new ATOM 0 HE ARG A 120 5.664 -16.068 -9.338 1.00 2.94 H new ATOM 0 HH11 ARG A 120 6.586 -16.672 -11.318 1.00 4.33 H new ATOM 0 HH12 ARG A 120 6.542 -15.561 -12.691 1.00 4.33 H new ATOM 0 HH21 ARG A 120 4.752 -13.049 -10.960 1.00 4.33 H new ATOM 0 HH22 ARG A 120 5.506 -13.515 -12.488 1.00 4.33 H new ATOM 1794 N LEU A 121 1.796 -11.530 -6.254 1.00 1.22 N ATOM 1795 CA LEU A 121 0.660 -10.903 -5.598 1.00 1.17 C ATOM 1796 C LEU A 121 -0.004 -11.921 -4.715 1.00 1.15 C ATOM 1797 O LEU A 121 -0.379 -11.608 -3.609 1.00 1.12 O ATOM 1798 CB LEU A 121 -0.363 -10.283 -6.561 1.00 1.31 C ATOM 1799 CG LEU A 121 -0.898 -11.212 -7.664 1.00 1.60 C ATOM 1800 CD1 LEU A 121 -2.338 -11.631 -7.370 1.00 2.24 C ATOM 1801 CD2 LEU A 121 -0.863 -10.489 -9.012 1.00 1.79 C ATOM 0 H LEU A 121 1.654 -11.741 -7.242 1.00 1.22 H new ATOM 0 HA LEU A 121 1.048 -10.067 -5.016 1.00 1.17 H new ATOM 0 HB2 LEU A 121 -1.209 -9.920 -5.977 1.00 1.31 H new ATOM 0 HB3 LEU A 121 0.094 -9.414 -7.035 1.00 1.31 H new ATOM 0 HG LEU A 121 -0.266 -12.099 -7.695 1.00 1.60 H new ATOM 0 HD11 LEU A 121 -2.695 -12.288 -8.163 1.00 2.24 H new ATOM 0 HD12 LEU A 121 -2.376 -12.159 -6.417 1.00 2.24 H new ATOM 0 HD13 LEU A 121 -2.971 -10.745 -7.319 1.00 2.24 H new ATOM 0 HD21 LEU A 121 -1.243 -11.151 -9.790 1.00 1.79 H new ATOM 0 HD22 LEU A 121 -1.484 -9.595 -8.961 1.00 1.79 H new ATOM 0 HD23 LEU A 121 0.163 -10.205 -9.246 1.00 1.79 H new ATOM 1813 N THR A 122 -0.108 -13.163 -5.154 1.00 1.20 N ATOM 1814 CA THR A 122 -0.725 -14.230 -4.411 1.00 1.19 C ATOM 1815 C THR A 122 -0.059 -14.441 -3.054 1.00 1.17 C ATOM 1816 O THR A 122 -0.673 -15.027 -2.163 1.00 1.29 O ATOM 1817 CB THR A 122 -0.632 -15.451 -5.324 1.00 1.28 C ATOM 1818 OG1 THR A 122 -1.293 -15.126 -6.528 1.00 1.29 O ATOM 1819 CG2 THR A 122 -1.245 -16.712 -4.718 1.00 1.37 C ATOM 0 H THR A 122 0.247 -13.458 -6.064 1.00 1.20 H new ATOM 0 HA THR A 122 -1.762 -14.010 -4.159 1.00 1.19 H new ATOM 0 HB THR A 122 0.421 -15.682 -5.484 1.00 1.28 H new ATOM 0 HG1 THR A 122 -1.251 -15.890 -7.141 1.00 1.29 H new ATOM 0 HG21 THR A 122 -1.144 -17.539 -5.420 1.00 1.37 H new ATOM 0 HG22 THR A 122 -0.728 -16.958 -3.790 1.00 1.37 H new ATOM 0 HG23 THR A 122 -2.301 -16.540 -4.510 1.00 1.37 H new ATOM 1827 N GLN A 123 1.177 -13.965 -2.875 1.00 1.06 N ATOM 1828 CA GLN A 123 1.810 -13.965 -1.571 1.00 0.98 C ATOM 1829 C GLN A 123 1.435 -12.690 -0.824 1.00 0.87 C ATOM 1830 O GLN A 123 0.931 -12.746 0.295 1.00 0.81 O ATOM 1831 CB GLN A 123 3.328 -14.100 -1.713 1.00 1.01 C ATOM 1832 CG GLN A 123 3.691 -15.447 -2.351 1.00 1.25 C ATOM 1833 CD GLN A 123 5.197 -15.612 -2.526 1.00 1.22 C ATOM 1834 OE1 GLN A 123 5.987 -14.782 -2.101 1.00 2.06 O ATOM 1835 NE2 GLN A 123 5.627 -16.685 -3.178 1.00 2.47 N ATOM 0 H GLN A 123 1.752 -13.577 -3.623 1.00 1.06 H new ATOM 0 HA GLN A 123 1.456 -14.821 -0.996 1.00 0.98 H new ATOM 0 HB2 GLN A 123 3.716 -13.285 -2.324 1.00 1.01 H new ATOM 0 HB3 GLN A 123 3.800 -14.016 -0.734 1.00 1.01 H new ATOM 0 HG2 GLN A 123 3.308 -16.257 -1.730 1.00 1.25 H new ATOM 0 HG3 GLN A 123 3.202 -15.531 -3.322 1.00 1.25 H new ATOM 0 HE21 GLN A 123 4.958 -17.371 -3.528 1.00 2.47 H new ATOM 0 HE22 GLN A 123 6.626 -16.824 -3.329 1.00 2.47 H new ATOM 1844 N SER A 124 1.656 -11.524 -1.432 1.00 0.88 N ATOM 1845 CA SER A 124 1.494 -10.270 -0.717 1.00 0.81 C ATOM 1846 C SER A 124 0.053 -10.074 -0.255 1.00 0.74 C ATOM 1847 O SER A 124 -0.169 -9.587 0.849 1.00 0.71 O ATOM 1848 CB SER A 124 1.995 -9.134 -1.604 1.00 0.89 C ATOM 1849 OG SER A 124 3.341 -9.404 -1.928 1.00 1.58 O ATOM 0 H SER A 124 1.944 -11.427 -2.406 1.00 0.88 H new ATOM 0 HA SER A 124 2.091 -10.281 0.195 1.00 0.81 H new ATOM 0 HB2 SER A 124 1.391 -9.060 -2.509 1.00 0.89 H new ATOM 0 HB3 SER A 124 1.911 -8.179 -1.086 1.00 0.89 H new ATOM 0 HG SER A 124 3.881 -8.600 -1.778 1.00 1.58 H new ATOM 1855 N LEU A 125 -0.915 -10.481 -1.074 1.00 0.74 N ATOM 1856 CA LEU A 125 -2.341 -10.464 -0.796 1.00 0.73 C ATOM 1857 C LEU A 125 -2.657 -11.457 0.288 1.00 0.73 C ATOM 1858 O LEU A 125 -3.456 -11.154 1.155 1.00 0.72 O ATOM 1859 CB LEU A 125 -3.154 -10.680 -2.094 1.00 0.78 C ATOM 1860 CG LEU A 125 -4.426 -11.548 -2.124 1.00 1.09 C ATOM 1861 CD1 LEU A 125 -4.191 -13.056 -1.966 1.00 0.92 C ATOM 1862 CD2 LEU A 125 -5.520 -11.075 -1.171 1.00 2.36 C ATOM 0 H LEU A 125 -0.708 -10.852 -2.001 1.00 0.74 H new ATOM 0 HA LEU A 125 -2.638 -9.484 -0.422 1.00 0.73 H new ATOM 0 HB2 LEU A 125 -3.439 -9.692 -2.455 1.00 0.78 H new ATOM 0 HB3 LEU A 125 -2.468 -11.102 -2.828 1.00 0.78 H new ATOM 0 HG LEU A 125 -4.784 -11.399 -3.143 1.00 1.09 H new ATOM 0 HD11 LEU A 125 -5.147 -13.579 -2.000 1.00 0.92 H new ATOM 0 HD12 LEU A 125 -3.554 -13.412 -2.775 1.00 0.92 H new ATOM 0 HD13 LEU A 125 -3.705 -13.250 -1.010 1.00 0.92 H new ATOM 0 HD21 LEU A 125 -6.383 -11.737 -1.250 1.00 2.36 H new ATOM 0 HD22 LEU A 125 -5.143 -11.090 -0.148 1.00 2.36 H new ATOM 0 HD23 LEU A 125 -5.817 -10.059 -1.433 1.00 2.36 H new ATOM 1874 N ASN A 126 -2.003 -12.609 0.293 1.00 0.76 N ATOM 1875 CA ASN A 126 -2.192 -13.586 1.352 1.00 0.78 C ATOM 1876 C ASN A 126 -1.935 -12.916 2.695 1.00 0.76 C ATOM 1877 O ASN A 126 -2.773 -12.924 3.591 1.00 0.78 O ATOM 1878 CB ASN A 126 -1.250 -14.778 1.129 1.00 0.77 C ATOM 1879 CG ASN A 126 -1.997 -16.098 1.022 1.00 0.96 C ATOM 1880 OD1 ASN A 126 -2.705 -16.509 1.929 1.00 1.23 O ATOM 1881 ND2 ASN A 126 -1.858 -16.790 -0.099 1.00 2.15 N ATOM 0 H ASN A 126 -1.336 -12.889 -0.426 1.00 0.76 H new ATOM 0 HA ASN A 126 -3.215 -13.963 1.343 1.00 0.78 H new ATOM 0 HB2 ASN A 126 -0.673 -14.616 0.218 1.00 0.77 H new ATOM 0 HB3 ASN A 126 -0.538 -14.833 1.952 1.00 0.77 H new ATOM 0 HD21 ASN A 126 -2.345 -17.679 -0.214 1.00 2.15 H new ATOM 0 HD22 ASN A 126 -1.264 -16.434 -0.848 1.00 2.15 H new ATOM 1888 N HIS A 127 -0.781 -12.270 2.801 1.00 0.75 N ATOM 1889 CA HIS A 127 -0.357 -11.658 4.046 1.00 0.74 C ATOM 1890 C HIS A 127 -1.219 -10.442 4.344 1.00 0.68 C ATOM 1891 O HIS A 127 -1.431 -10.099 5.505 1.00 0.66 O ATOM 1892 CB HIS A 127 1.126 -11.279 3.947 1.00 0.77 C ATOM 1893 CG HIS A 127 2.026 -12.454 3.682 1.00 0.85 C ATOM 1894 ND1 HIS A 127 2.092 -13.618 4.413 1.00 1.16 N ATOM 1895 CD2 HIS A 127 2.918 -12.553 2.650 1.00 0.76 C ATOM 1896 CE1 HIS A 127 3.011 -14.404 3.822 1.00 1.19 C ATOM 1897 NE2 HIS A 127 3.534 -13.803 2.742 1.00 0.92 N ATOM 0 H HIS A 127 -0.120 -12.158 2.032 1.00 0.75 H new ATOM 0 HA HIS A 127 -0.478 -12.364 4.867 1.00 0.74 H new ATOM 0 HB2 HIS A 127 1.254 -10.546 3.150 1.00 0.77 H new ATOM 0 HB3 HIS A 127 1.433 -10.798 4.875 1.00 0.77 H new ATOM 0 HD2 HIS A 127 3.111 -11.801 1.900 1.00 0.76 H new ATOM 0 HE1 HIS A 127 3.290 -15.387 4.170 1.00 1.19 H new ATOM 0 HE2 HIS A 127 4.241 -14.184 2.113 1.00 0.92 H new ATOM 1905 N LEU A 128 -1.705 -9.764 3.307 1.00 0.67 N ATOM 1906 CA LEU A 128 -2.366 -8.488 3.483 1.00 0.63 C ATOM 1907 C LEU A 128 -3.790 -8.722 3.951 1.00 0.63 C ATOM 1908 O LEU A 128 -4.298 -7.981 4.783 1.00 0.69 O ATOM 1909 CB LEU A 128 -2.292 -7.716 2.165 1.00 0.70 C ATOM 1910 CG LEU A 128 -2.711 -6.253 2.255 1.00 1.09 C ATOM 1911 CD1 LEU A 128 -1.902 -5.450 3.275 1.00 2.09 C ATOM 1912 CD2 LEU A 128 -2.482 -5.651 0.869 1.00 1.97 C ATOM 0 H LEU A 128 -1.650 -10.083 2.340 1.00 0.67 H new ATOM 0 HA LEU A 128 -1.875 -7.887 4.248 1.00 0.63 H new ATOM 0 HB2 LEU A 128 -1.270 -7.764 1.789 1.00 0.70 H new ATOM 0 HB3 LEU A 128 -2.925 -8.216 1.432 1.00 0.70 H new ATOM 0 HG LEU A 128 -3.750 -6.209 2.581 1.00 1.09 H new ATOM 0 HD11 LEU A 128 -2.253 -4.418 3.287 1.00 2.09 H new ATOM 0 HD12 LEU A 128 -2.028 -5.887 4.265 1.00 2.09 H new ATOM 0 HD13 LEU A 128 -0.847 -5.471 3.001 1.00 2.09 H new ATOM 0 HD21 LEU A 128 -2.767 -4.599 0.878 1.00 1.97 H new ATOM 0 HD22 LEU A 128 -1.428 -5.739 0.604 1.00 1.97 H new ATOM 0 HD23 LEU A 128 -3.087 -6.185 0.136 1.00 1.97 H new ATOM 1924 N LEU A 129 -4.417 -9.787 3.457 1.00 0.67 N ATOM 1925 CA LEU A 129 -5.711 -10.249 3.918 1.00 0.79 C ATOM 1926 C LEU A 129 -5.569 -10.865 5.294 1.00 0.80 C ATOM 1927 O LEU A 129 -6.493 -10.766 6.077 1.00 0.88 O ATOM 1928 CB LEU A 129 -6.317 -11.274 2.946 1.00 0.90 C ATOM 1929 CG LEU A 129 -7.746 -10.928 2.517 1.00 2.03 C ATOM 1930 CD1 LEU A 129 -8.256 -12.062 1.623 1.00 2.65 C ATOM 1931 CD2 LEU A 129 -8.695 -10.745 3.703 1.00 2.90 C ATOM 0 H LEU A 129 -4.026 -10.361 2.710 1.00 0.67 H new ATOM 0 HA LEU A 129 -6.383 -9.392 3.965 1.00 0.79 H new ATOM 0 HB2 LEU A 129 -5.685 -11.343 2.060 1.00 0.90 H new ATOM 0 HB3 LEU A 129 -6.314 -12.257 3.417 1.00 0.90 H new ATOM 0 HG LEU A 129 -7.723 -9.976 1.987 1.00 2.03 H new ATOM 0 HD11 LEU A 129 -9.274 -11.842 1.302 1.00 2.65 H new ATOM 0 HD12 LEU A 129 -7.611 -12.154 0.749 1.00 2.65 H new ATOM 0 HD13 LEU A 129 -8.246 -12.998 2.181 1.00 2.65 H new ATOM 0 HD21 LEU A 129 -9.692 -10.501 3.337 1.00 2.90 H new ATOM 0 HD22 LEU A 129 -8.736 -11.668 4.282 1.00 2.90 H new ATOM 0 HD23 LEU A 129 -8.333 -9.935 4.337 1.00 2.90 H new ATOM 1943 N THR A 130 -4.430 -11.470 5.630 1.00 0.78 N ATOM 1944 CA THR A 130 -4.247 -11.985 6.982 1.00 0.84 C ATOM 1945 C THR A 130 -4.213 -10.815 7.961 1.00 0.80 C ATOM 1946 O THR A 130 -4.842 -10.843 9.013 1.00 0.87 O ATOM 1947 CB THR A 130 -2.979 -12.847 7.041 1.00 0.89 C ATOM 1948 OG1 THR A 130 -3.159 -14.014 6.272 1.00 0.98 O ATOM 1949 CG2 THR A 130 -2.621 -13.287 8.459 1.00 0.96 C ATOM 0 H THR A 130 -3.640 -11.612 5.001 1.00 0.78 H new ATOM 0 HA THR A 130 -5.080 -12.628 7.267 1.00 0.84 H new ATOM 0 HB THR A 130 -2.172 -12.225 6.655 1.00 0.89 H new ATOM 0 HG1 THR A 130 -3.073 -13.795 5.321 1.00 0.98 H new ATOM 0 HG21 THR A 130 -1.715 -13.893 8.434 1.00 0.96 H new ATOM 0 HG22 THR A 130 -2.452 -12.408 9.081 1.00 0.96 H new ATOM 0 HG23 THR A 130 -3.439 -13.874 8.875 1.00 0.96 H new ATOM 1957 N ALA A 131 -3.502 -9.750 7.602 1.00 0.74 N ATOM 1958 CA ALA A 131 -3.504 -8.527 8.380 1.00 0.79 C ATOM 1959 C ALA A 131 -4.906 -7.918 8.444 1.00 0.81 C ATOM 1960 O ALA A 131 -5.350 -7.478 9.503 1.00 0.88 O ATOM 1961 CB ALA A 131 -2.480 -7.564 7.772 1.00 0.82 C ATOM 0 H ALA A 131 -2.914 -9.715 6.769 1.00 0.74 H new ATOM 0 HA ALA A 131 -3.219 -8.739 9.411 1.00 0.79 H new ATOM 0 HB1 ALA A 131 -2.467 -6.637 8.345 1.00 0.82 H new ATOM 0 HB2 ALA A 131 -1.491 -8.021 7.799 1.00 0.82 H new ATOM 0 HB3 ALA A 131 -2.752 -7.348 6.739 1.00 0.82 H new ATOM 1967 N LEU A 132 -5.615 -7.882 7.319 1.00 0.79 N ATOM 1968 CA LEU A 132 -6.923 -7.243 7.251 1.00 0.84 C ATOM 1969 C LEU A 132 -8.015 -8.165 7.779 1.00 0.87 C ATOM 1970 O LEU A 132 -9.129 -7.711 8.019 1.00 0.93 O ATOM 1971 CB LEU A 132 -7.217 -6.781 5.822 1.00 0.85 C ATOM 1972 CG LEU A 132 -6.341 -5.562 5.494 1.00 1.45 C ATOM 1973 CD1 LEU A 132 -6.072 -5.461 3.997 1.00 1.93 C ATOM 1974 CD2 LEU A 132 -7.007 -4.264 5.963 1.00 1.96 C ATOM 0 H LEU A 132 -5.302 -8.291 6.438 1.00 0.79 H new ATOM 0 HA LEU A 132 -6.910 -6.362 7.893 1.00 0.84 H new ATOM 0 HB2 LEU A 132 -7.016 -7.588 5.118 1.00 0.85 H new ATOM 0 HB3 LEU A 132 -8.271 -6.524 5.720 1.00 0.85 H new ATOM 0 HG LEU A 132 -5.397 -5.699 6.021 1.00 1.45 H new ATOM 0 HD11 LEU A 132 -5.450 -4.589 3.797 1.00 1.93 H new ATOM 0 HD12 LEU A 132 -5.556 -6.360 3.659 1.00 1.93 H new ATOM 0 HD13 LEU A 132 -7.017 -5.362 3.463 1.00 1.93 H new ATOM 0 HD21 LEU A 132 -6.366 -3.417 5.718 1.00 1.96 H new ATOM 0 HD22 LEU A 132 -7.969 -4.147 5.463 1.00 1.96 H new ATOM 0 HD23 LEU A 132 -7.161 -4.303 7.041 1.00 1.96 H new ATOM 1986 N ASP A 133 -7.704 -9.433 8.034 1.00 0.87 N ATOM 1987 CA ASP A 133 -8.628 -10.354 8.686 1.00 0.92 C ATOM 1988 C ASP A 133 -8.795 -9.953 10.151 1.00 0.95 C ATOM 1989 O ASP A 133 -9.767 -10.337 10.796 1.00 0.88 O ATOM 1990 CB ASP A 133 -8.148 -11.813 8.572 1.00 0.99 C ATOM 1991 CG ASP A 133 -8.655 -12.542 7.325 1.00 1.37 C ATOM 1992 OD1 ASP A 133 -9.696 -12.116 6.777 1.00 2.29 O ATOM 1993 OD2 ASP A 133 -8.015 -13.558 6.965 1.00 2.22 O ATOM 0 H ASP A 133 -6.805 -9.850 7.794 1.00 0.87 H new ATOM 0 HA ASP A 133 -9.592 -10.292 8.181 1.00 0.92 H new ATOM 0 HB2 ASP A 133 -7.058 -11.827 8.570 1.00 0.99 H new ATOM 0 HB3 ASP A 133 -8.472 -12.361 9.457 1.00 0.99 H new ATOM 1998 N THR A 134 -7.872 -9.142 10.680 1.00 1.13 N ATOM 1999 CA THR A 134 -7.995 -8.528 11.994 1.00 1.28 C ATOM 2000 C THR A 134 -9.119 -7.473 12.031 1.00 1.27 C ATOM 2001 O THR A 134 -9.499 -7.017 13.112 1.00 1.43 O ATOM 2002 CB THR A 134 -6.604 -8.021 12.418 1.00 1.51 C ATOM 2003 OG1 THR A 134 -6.276 -8.534 13.691 1.00 1.76 O ATOM 2004 CG2 THR A 134 -6.483 -6.502 12.460 1.00 1.92 C ATOM 0 H THR A 134 -7.009 -8.894 10.196 1.00 1.13 H new ATOM 0 HA THR A 134 -8.314 -9.258 12.738 1.00 1.28 H new ATOM 0 HB THR A 134 -5.913 -8.376 11.653 1.00 1.51 H new ATOM 0 HG1 THR A 134 -5.390 -8.210 13.956 1.00 1.76 H new ATOM 0 HG21 THR A 134 -5.474 -6.226 12.767 1.00 1.92 H new ATOM 0 HG22 THR A 134 -6.686 -6.093 11.470 1.00 1.92 H new ATOM 0 HG23 THR A 134 -7.202 -6.099 13.173 1.00 1.92 H new ATOM 2012 N THR A 135 -9.664 -7.073 10.875 1.00 1.15 N ATOM 2013 CA THR A 135 -10.806 -6.171 10.810 1.00 1.21 C ATOM 2014 C THR A 135 -12.091 -6.988 10.675 1.00 1.01 C ATOM 2015 O THR A 135 -12.074 -8.198 10.435 1.00 1.64 O ATOM 2016 CB THR A 135 -10.683 -5.171 9.646 1.00 1.62 C ATOM 2017 OG1 THR A 135 -11.143 -5.715 8.426 1.00 2.06 O ATOM 2018 CG2 THR A 135 -9.264 -4.641 9.446 1.00 2.25 C ATOM 0 H THR A 135 -9.321 -7.370 9.961 1.00 1.15 H new ATOM 0 HA THR A 135 -10.833 -5.590 11.732 1.00 1.21 H new ATOM 0 HB THR A 135 -11.319 -4.335 9.936 1.00 1.62 H new ATOM 0 HG1 THR A 135 -10.550 -6.445 8.149 1.00 2.06 H new ATOM 0 HG21 THR A 135 -9.251 -3.942 8.610 1.00 2.25 H new ATOM 0 HG22 THR A 135 -8.935 -4.130 10.351 1.00 2.25 H new ATOM 0 HG23 THR A 135 -8.592 -5.472 9.234 1.00 2.25 H new ATOM 2026 N ASP A 136 -13.238 -6.317 10.752 1.00 1.39 N ATOM 2027 CA ASP A 136 -14.511 -6.984 10.573 1.00 1.25 C ATOM 2028 C ASP A 136 -15.492 -6.057 9.876 1.00 1.55 C ATOM 2029 O ASP A 136 -16.605 -5.841 10.346 1.00 1.83 O ATOM 2030 CB ASP A 136 -15.023 -7.521 11.918 1.00 1.35 C ATOM 2031 CG ASP A 136 -15.985 -8.693 11.721 1.00 2.20 C ATOM 2032 OD1 ASP A 136 -16.013 -9.228 10.585 1.00 3.61 O ATOM 2033 OD2 ASP A 136 -16.613 -9.098 12.720 1.00 3.01 O ATOM 0 H ASP A 136 -13.305 -5.316 10.937 1.00 1.39 H new ATOM 0 HA ASP A 136 -14.391 -7.851 9.923 1.00 1.25 H new ATOM 0 HB2 ASP A 136 -14.179 -7.840 12.529 1.00 1.35 H new ATOM 0 HB3 ASP A 136 -15.527 -6.722 12.462 1.00 1.35 H new ATOM 2038 N ALA A 137 -15.048 -5.466 8.762 1.00 1.79 N ATOM 2039 CA ALA A 137 -15.840 -4.468 8.062 1.00 2.27 C ATOM 2040 C ALA A 137 -15.933 -4.748 6.562 1.00 2.09 C ATOM 2041 O ALA A 137 -17.018 -5.062 6.089 1.00 2.35 O ATOM 2042 CB ALA A 137 -15.329 -3.078 8.418 1.00 2.91 C ATOM 0 H ALA A 137 -14.145 -5.666 8.332 1.00 1.79 H new ATOM 0 HA ALA A 137 -16.875 -4.522 8.398 1.00 2.27 H new ATOM 0 HB1 ALA A 137 -15.921 -2.327 7.894 1.00 2.91 H new ATOM 0 HB2 ALA A 137 -15.415 -2.923 9.493 1.00 2.91 H new ATOM 0 HB3 ALA A 137 -14.284 -2.987 8.121 1.00 2.91 H new ATOM 2048 N ASP A 138 -14.827 -4.667 5.819 1.00 1.84 N ATOM 2049 CA ASP A 138 -14.709 -5.115 4.431 1.00 1.67 C ATOM 2050 C ASP A 138 -13.245 -4.936 4.019 1.00 1.64 C ATOM 2051 O ASP A 138 -12.489 -4.270 4.729 1.00 1.74 O ATOM 2052 CB ASP A 138 -15.605 -4.293 3.482 1.00 1.52 C ATOM 2053 CG ASP A 138 -16.156 -5.170 2.357 1.00 1.89 C ATOM 2054 OD1 ASP A 138 -15.456 -6.144 2.003 1.00 2.33 O ATOM 2055 OD2 ASP A 138 -17.265 -4.866 1.869 1.00 2.98 O ATOM 0 H ASP A 138 -13.958 -4.273 6.181 1.00 1.84 H new ATOM 0 HA ASP A 138 -15.029 -6.155 4.361 1.00 1.67 H new ATOM 0 HB2 ASP A 138 -16.430 -3.854 4.043 1.00 1.52 H new ATOM 0 HB3 ASP A 138 -15.032 -3.468 3.058 1.00 1.52 H new ATOM 2060 N VAL A 139 -12.831 -5.473 2.871 1.00 1.55 N ATOM 2061 CA VAL A 139 -11.547 -5.130 2.276 1.00 1.53 C ATOM 2062 C VAL A 139 -11.729 -4.827 0.791 1.00 1.38 C ATOM 2063 O VAL A 139 -12.130 -5.697 0.019 1.00 1.28 O ATOM 2064 CB VAL A 139 -10.507 -6.219 2.583 1.00 1.56 C ATOM 2065 CG1 VAL A 139 -10.855 -7.613 2.073 1.00 1.94 C ATOM 2066 CG2 VAL A 139 -9.128 -5.840 2.042 1.00 1.62 C ATOM 0 H VAL A 139 -13.373 -6.151 2.335 1.00 1.55 H new ATOM 0 HA VAL A 139 -11.150 -4.218 2.722 1.00 1.53 H new ATOM 0 HB VAL A 139 -10.503 -6.271 3.672 1.00 1.56 H new ATOM 0 HG11 VAL A 139 -10.059 -8.308 2.340 1.00 1.94 H new ATOM 0 HG12 VAL A 139 -11.791 -7.943 2.525 1.00 1.94 H new ATOM 0 HG13 VAL A 139 -10.965 -7.587 0.989 1.00 1.94 H new ATOM 0 HG21 VAL A 139 -8.415 -6.631 2.276 1.00 1.62 H new ATOM 0 HG22 VAL A 139 -9.184 -5.710 0.961 1.00 1.62 H new ATOM 0 HG23 VAL A 139 -8.800 -4.908 2.503 1.00 1.62 H new ATOM 2076 N ALA A 140 -11.419 -3.594 0.379 1.00 1.41 N ATOM 2077 CA ALA A 140 -11.405 -3.222 -1.024 1.00 1.18 C ATOM 2078 C ALA A 140 -9.947 -3.162 -1.466 1.00 1.24 C ATOM 2079 O ALA A 140 -9.087 -2.782 -0.679 1.00 1.64 O ATOM 2080 CB ALA A 140 -12.094 -1.866 -1.198 1.00 1.02 C ATOM 0 H ALA A 140 -11.173 -2.834 1.013 1.00 1.41 H new ATOM 0 HA ALA A 140 -11.943 -3.947 -1.634 1.00 1.18 H new ATOM 0 HB1 ALA A 140 -12.084 -1.585 -2.251 1.00 1.02 H new ATOM 0 HB2 ALA A 140 -13.125 -1.934 -0.850 1.00 1.02 H new ATOM 0 HB3 ALA A 140 -11.564 -1.111 -0.617 1.00 1.02 H new ATOM 2086 N ILE A 141 -9.650 -3.509 -2.713 1.00 1.02 N ATOM 2087 CA ILE A 141 -8.317 -3.530 -3.270 1.00 1.07 C ATOM 2088 C ILE A 141 -8.391 -2.712 -4.557 1.00 0.96 C ATOM 2089 O ILE A 141 -9.405 -2.769 -5.244 1.00 0.99 O ATOM 2090 CB ILE A 141 -7.886 -4.987 -3.532 1.00 1.15 C ATOM 2091 CG1 ILE A 141 -8.291 -5.958 -2.404 1.00 1.60 C ATOM 2092 CG2 ILE A 141 -6.374 -5.030 -3.736 1.00 1.41 C ATOM 2093 CD1 ILE A 141 -7.737 -7.376 -2.592 1.00 1.13 C ATOM 0 H ILE A 141 -10.364 -3.793 -3.384 1.00 1.02 H new ATOM 0 HA ILE A 141 -7.573 -3.106 -2.595 1.00 1.07 H new ATOM 0 HB ILE A 141 -8.409 -5.322 -4.427 1.00 1.15 H new ATOM 0 HG12 ILE A 141 -7.940 -5.562 -1.451 1.00 1.60 H new ATOM 0 HG13 ILE A 141 -9.379 -6.005 -2.349 1.00 1.60 H new ATOM 0 HG21 ILE A 141 -6.061 -6.057 -3.922 1.00 1.41 H new ATOM 0 HG22 ILE A 141 -6.104 -4.408 -4.590 1.00 1.41 H new ATOM 0 HG23 ILE A 141 -5.875 -4.655 -2.842 1.00 1.41 H new ATOM 0 HD11 ILE A 141 -8.060 -8.006 -1.763 1.00 1.13 H new ATOM 0 HD12 ILE A 141 -8.109 -7.791 -3.529 1.00 1.13 H new ATOM 0 HD13 ILE A 141 -6.648 -7.341 -2.617 1.00 1.13 H new ATOM 2105 N TYR A 142 -7.354 -1.952 -4.894 1.00 0.97 N ATOM 2106 CA TYR A 142 -7.324 -1.036 -6.026 1.00 0.99 C ATOM 2107 C TYR A 142 -5.992 -1.179 -6.743 1.00 1.08 C ATOM 2108 O TYR A 142 -4.940 -1.101 -6.113 1.00 1.29 O ATOM 2109 CB TYR A 142 -7.546 0.420 -5.572 1.00 1.07 C ATOM 2110 CG TYR A 142 -6.428 1.085 -4.770 1.00 2.16 C ATOM 2111 CD1 TYR A 142 -5.796 2.251 -5.248 1.00 3.29 C ATOM 2112 CD2 TYR A 142 -6.068 0.586 -3.505 1.00 4.01 C ATOM 2113 CE1 TYR A 142 -4.835 2.914 -4.457 1.00 4.82 C ATOM 2114 CE2 TYR A 142 -5.116 1.250 -2.716 1.00 5.36 C ATOM 2115 CZ TYR A 142 -4.483 2.411 -3.189 1.00 5.47 C ATOM 2116 OH TYR A 142 -3.581 3.065 -2.403 1.00 7.10 O ATOM 0 H TYR A 142 -6.481 -1.958 -4.367 1.00 0.97 H new ATOM 0 HA TYR A 142 -8.135 -1.288 -6.709 1.00 0.99 H new ATOM 0 HB2 TYR A 142 -7.730 1.025 -6.460 1.00 1.07 H new ATOM 0 HB3 TYR A 142 -8.455 0.451 -4.972 1.00 1.07 H new ATOM 0 HD1 TYR A 142 -6.049 2.638 -6.224 1.00 3.29 H new ATOM 0 HD2 TYR A 142 -6.529 -0.318 -3.137 1.00 4.01 H new ATOM 0 HE1 TYR A 142 -4.365 3.814 -4.826 1.00 4.82 H new ATOM 0 HE2 TYR A 142 -4.868 0.865 -1.738 1.00 5.36 H new ATOM 0 HH TYR A 142 -2.768 2.524 -2.318 1.00 7.10 H new ATOM 2126 N CYS A 143 -6.029 -1.397 -8.057 1.00 0.98 N ATOM 2127 CA CYS A 143 -4.882 -1.109 -8.898 1.00 1.01 C ATOM 2128 C CYS A 143 -5.349 -1.000 -10.346 1.00 1.02 C ATOM 2129 O CYS A 143 -6.406 -1.515 -10.716 1.00 1.06 O ATOM 2130 CB CYS A 143 -3.783 -2.170 -8.747 1.00 1.05 C ATOM 2131 SG CYS A 143 -2.176 -1.463 -9.196 1.00 2.12 S ATOM 0 H CYS A 143 -6.838 -1.770 -8.554 1.00 0.98 H new ATOM 0 HA CYS A 143 -4.442 -0.163 -8.584 1.00 1.01 H new ATOM 0 HB2 CYS A 143 -3.756 -2.534 -7.720 1.00 1.05 H new ATOM 0 HB3 CYS A 143 -4.003 -3.027 -9.383 1.00 1.05 H new ATOM 0 HG CYS A 143 -1.252 -2.367 -9.063 1.00 2.12 H new ATOM 2137 N ARG A 144 -4.539 -0.330 -11.158 1.00 1.17 N ATOM 2138 CA ARG A 144 -4.707 -0.214 -12.596 1.00 1.24 C ATOM 2139 C ARG A 144 -4.040 -1.412 -13.256 1.00 1.25 C ATOM 2140 O ARG A 144 -2.845 -1.597 -13.065 1.00 1.62 O ATOM 2141 CB ARG A 144 -4.096 1.118 -13.068 1.00 1.52 C ATOM 2142 CG ARG A 144 -2.602 1.289 -12.724 1.00 2.59 C ATOM 2143 CD ARG A 144 -2.173 2.758 -12.768 1.00 3.20 C ATOM 2144 NE ARG A 144 -1.558 3.114 -14.051 1.00 3.61 N ATOM 2145 CZ ARG A 144 -1.229 4.363 -14.401 1.00 4.09 C ATOM 2146 NH1 ARG A 144 -0.511 4.575 -15.506 1.00 4.82 N ATOM 2147 NH2 ARG A 144 -1.605 5.396 -13.653 1.00 4.78 N ATOM 0 H ARG A 144 -3.716 0.166 -10.816 1.00 1.17 H new ATOM 0 HA ARG A 144 -5.761 -0.212 -12.873 1.00 1.24 H new ATOM 0 HB2 ARG A 144 -4.220 1.198 -14.148 1.00 1.52 H new ATOM 0 HB3 ARG A 144 -4.656 1.940 -12.621 1.00 1.52 H new ATOM 0 HG2 ARG A 144 -2.409 0.884 -11.731 1.00 2.59 H new ATOM 0 HG3 ARG A 144 -1.999 0.713 -13.426 1.00 2.59 H new ATOM 0 HD2 ARG A 144 -3.041 3.394 -12.593 1.00 3.20 H new ATOM 0 HD3 ARG A 144 -1.467 2.953 -11.961 1.00 3.20 H new ATOM 0 HE ARG A 144 -1.370 2.364 -14.717 1.00 3.61 H new ATOM 0 HH11 ARG A 144 -0.215 3.786 -16.081 1.00 4.82 H new ATOM 0 HH12 ARG A 144 -0.259 5.526 -15.776 1.00 4.82 H new ATOM 0 HH21 ARG A 144 -2.149 5.240 -12.804 1.00 4.78 H new ATOM 0 HH22 ARG A 144 -1.349 6.344 -13.928 1.00 4.78 H new ATOM 2161 N ASP A 145 -4.797 -2.205 -14.022 1.00 1.04 N ATOM 2162 CA ASP A 145 -4.244 -3.294 -14.833 1.00 1.08 C ATOM 2163 C ASP A 145 -5.329 -4.018 -15.619 1.00 1.05 C ATOM 2164 O ASP A 145 -5.079 -4.501 -16.718 1.00 1.31 O ATOM 2165 CB ASP A 145 -3.534 -4.356 -13.974 1.00 1.12 C ATOM 2166 CG ASP A 145 -2.345 -4.973 -14.707 1.00 1.38 C ATOM 2167 OD1 ASP A 145 -2.189 -6.207 -14.569 1.00 1.93 O ATOM 2168 OD2 ASP A 145 -1.631 -4.216 -15.400 1.00 2.42 O ATOM 0 H ASP A 145 -5.810 -2.110 -14.097 1.00 1.04 H new ATOM 0 HA ASP A 145 -3.533 -2.816 -15.506 1.00 1.08 H new ATOM 0 HB2 ASP A 145 -3.192 -3.902 -13.044 1.00 1.12 H new ATOM 0 HB3 ASP A 145 -4.242 -5.140 -13.705 1.00 1.12 H new ATOM 2173 N LYS A 146 -6.523 -4.151 -15.026 1.00 0.97 N ATOM 2174 CA LYS A 146 -7.641 -4.962 -15.505 1.00 0.98 C ATOM 2175 C LYS A 146 -7.360 -6.457 -15.420 1.00 0.97 C ATOM 2176 O LYS A 146 -8.101 -7.154 -14.730 1.00 0.97 O ATOM 2177 CB LYS A 146 -8.091 -4.496 -16.888 1.00 1.11 C ATOM 2178 CG LYS A 146 -9.260 -5.317 -17.434 1.00 1.18 C ATOM 2179 CD LYS A 146 -9.377 -5.011 -18.923 1.00 2.25 C ATOM 2180 CE LYS A 146 -9.807 -3.559 -19.136 1.00 3.20 C ATOM 2181 NZ LYS A 146 -9.982 -3.247 -20.570 1.00 4.50 N ATOM 0 H LYS A 146 -6.742 -3.669 -14.154 1.00 0.97 H new ATOM 0 HA LYS A 146 -8.484 -4.806 -14.832 1.00 0.98 H new ATOM 0 HB2 LYS A 146 -8.381 -3.447 -16.837 1.00 1.11 H new ATOM 0 HB3 LYS A 146 -7.252 -4.561 -17.580 1.00 1.11 H new ATOM 0 HG2 LYS A 146 -9.089 -6.381 -17.273 1.00 1.18 H new ATOM 0 HG3 LYS A 146 -10.184 -5.061 -16.916 1.00 1.18 H new ATOM 0 HD2 LYS A 146 -8.420 -5.189 -19.414 1.00 2.25 H new ATOM 0 HD3 LYS A 146 -10.102 -5.683 -19.383 1.00 2.25 H new ATOM 0 HE2 LYS A 146 -10.742 -3.375 -18.606 1.00 3.20 H new ATOM 0 HE3 LYS A 146 -9.060 -2.891 -18.706 1.00 3.20 H new ATOM 0 HZ1 LYS A 146 -10.274 -2.254 -20.676 1.00 4.50 H new ATOM 0 HZ2 LYS A 146 -9.083 -3.399 -21.071 1.00 4.50 H new ATOM 0 HZ3 LYS A 146 -10.713 -3.867 -20.974 1.00 4.50 H new ATOM 2195 N LYS A 147 -6.300 -6.977 -16.044 1.00 0.99 N ATOM 2196 CA LYS A 147 -5.918 -8.375 -15.852 1.00 1.00 C ATOM 2197 C LYS A 147 -5.857 -8.721 -14.367 1.00 0.91 C ATOM 2198 O LYS A 147 -6.156 -9.853 -13.986 1.00 0.93 O ATOM 2199 CB LYS A 147 -4.559 -8.684 -16.508 1.00 1.09 C ATOM 2200 CG LYS A 147 -4.665 -9.675 -17.675 1.00 1.21 C ATOM 2201 CD LYS A 147 -5.028 -8.990 -18.994 1.00 2.34 C ATOM 2202 CE LYS A 147 -4.949 -10.031 -20.116 1.00 2.86 C ATOM 2203 NZ LYS A 147 -4.835 -9.407 -21.453 1.00 3.74 N ATOM 0 H LYS A 147 -5.697 -6.455 -16.680 1.00 0.99 H new ATOM 0 HA LYS A 147 -6.682 -8.986 -16.333 1.00 1.00 H new ATOM 0 HB2 LYS A 147 -4.116 -7.755 -16.867 1.00 1.09 H new ATOM 0 HB3 LYS A 147 -3.883 -9.089 -15.755 1.00 1.09 H new ATOM 0 HG2 LYS A 147 -3.716 -10.198 -17.790 1.00 1.21 H new ATOM 0 HG3 LYS A 147 -5.418 -10.428 -17.441 1.00 1.21 H new ATOM 0 HD2 LYS A 147 -6.031 -8.567 -18.939 1.00 2.34 H new ATOM 0 HD3 LYS A 147 -4.345 -8.164 -19.193 1.00 2.34 H new ATOM 0 HE2 LYS A 147 -4.090 -10.681 -19.946 1.00 2.86 H new ATOM 0 HE3 LYS A 147 -5.837 -10.662 -20.086 1.00 2.86 H new ATOM 0 HZ1 LYS A 147 -4.785 -10.149 -22.179 1.00 3.74 H new ATOM 0 HZ2 LYS A 147 -5.666 -8.807 -21.628 1.00 3.74 H new ATOM 0 HZ3 LYS A 147 -3.974 -8.825 -21.492 1.00 3.74 H new ATOM 2217 N TRP A 148 -5.472 -7.762 -13.524 1.00 0.85 N ATOM 2218 CA TRP A 148 -5.277 -8.065 -12.123 1.00 0.79 C ATOM 2219 C TRP A 148 -6.607 -8.275 -11.424 1.00 0.77 C ATOM 2220 O TRP A 148 -6.687 -9.073 -10.499 1.00 0.75 O ATOM 2221 CB TRP A 148 -4.335 -7.065 -11.432 1.00 0.83 C ATOM 2222 CG TRP A 148 -4.952 -6.088 -10.483 1.00 2.16 C ATOM 2223 CD1 TRP A 148 -6.067 -5.367 -10.699 1.00 3.74 C ATOM 2224 CD2 TRP A 148 -4.520 -5.746 -9.142 1.00 2.89 C ATOM 2225 NE1 TRP A 148 -6.424 -4.692 -9.548 1.00 5.36 N ATOM 2226 CE2 TRP A 148 -5.517 -4.930 -8.534 1.00 4.92 C ATOM 2227 CE3 TRP A 148 -3.373 -6.045 -8.383 1.00 2.31 C ATOM 2228 CZ2 TRP A 148 -5.417 -4.503 -7.201 1.00 6.10 C ATOM 2229 CZ3 TRP A 148 -3.227 -5.551 -7.082 1.00 3.42 C ATOM 2230 CH2 TRP A 148 -4.253 -4.805 -6.476 1.00 5.26 C ATOM 0 H TRP A 148 -5.295 -6.793 -13.787 1.00 0.85 H new ATOM 0 HA TRP A 148 -4.751 -9.016 -12.046 1.00 0.79 H new ATOM 0 HB2 TRP A 148 -3.580 -7.633 -10.889 1.00 0.83 H new ATOM 0 HB3 TRP A 148 -3.814 -6.501 -12.206 1.00 0.83 H new ATOM 0 HD1 TRP A 148 -6.604 -5.322 -11.635 1.00 3.74 H new ATOM 0 HE1 TRP A 148 -7.248 -4.097 -9.459 1.00 5.36 H new ATOM 0 HE3 TRP A 148 -2.597 -6.663 -8.810 1.00 2.31 H new ATOM 0 HZ2 TRP A 148 -6.223 -3.951 -6.740 1.00 6.10 H new ATOM 0 HZ3 TRP A 148 -2.315 -5.745 -6.537 1.00 3.42 H new ATOM 0 HH2 TRP A 148 -4.146 -4.465 -5.456 1.00 5.26 H new ATOM 2241 N GLU A 149 -7.661 -7.586 -11.858 1.00 0.84 N ATOM 2242 CA GLU A 149 -8.934 -7.713 -11.185 1.00 0.89 C ATOM 2243 C GLU A 149 -9.634 -8.959 -11.688 1.00 0.90 C ATOM 2244 O GLU A 149 -10.378 -9.571 -10.935 1.00 0.94 O ATOM 2245 CB GLU A 149 -9.788 -6.451 -11.303 1.00 1.14 C ATOM 2246 CG GLU A 149 -10.384 -6.187 -12.689 1.00 1.71 C ATOM 2247 CD GLU A 149 -11.890 -5.951 -12.562 1.00 2.42 C ATOM 2248 OE1 GLU A 149 -12.269 -4.832 -12.145 1.00 3.21 O ATOM 2249 OE2 GLU A 149 -12.660 -6.895 -12.839 1.00 3.04 O ATOM 0 H GLU A 149 -7.653 -6.950 -12.655 1.00 0.84 H new ATOM 0 HA GLU A 149 -8.762 -7.825 -10.114 1.00 0.89 H new ATOM 0 HB2 GLU A 149 -10.603 -6.516 -10.582 1.00 1.14 H new ATOM 0 HB3 GLU A 149 -9.179 -5.593 -11.019 1.00 1.14 H new ATOM 0 HG2 GLU A 149 -9.906 -5.318 -13.142 1.00 1.71 H new ATOM 0 HG3 GLU A 149 -10.192 -7.035 -13.346 1.00 1.71 H new ATOM 2256 N MET A 150 -9.361 -9.371 -12.930 1.00 0.97 N ATOM 2257 CA MET A 150 -9.882 -10.624 -13.424 1.00 1.10 C ATOM 2258 C MET A 150 -9.304 -11.732 -12.563 1.00 1.06 C ATOM 2259 O MET A 150 -10.041 -12.434 -11.884 1.00 1.07 O ATOM 2260 CB MET A 150 -9.534 -10.833 -14.904 1.00 1.24 C ATOM 2261 CG MET A 150 -10.729 -10.517 -15.807 1.00 1.46 C ATOM 2262 SD MET A 150 -10.891 -11.610 -17.246 1.00 1.85 S ATOM 2263 CE MET A 150 -11.163 -13.199 -16.400 1.00 2.82 C ATOM 0 H MET A 150 -8.788 -8.853 -13.596 1.00 0.97 H new ATOM 0 HA MET A 150 -10.970 -10.626 -13.362 1.00 1.10 H new ATOM 0 HB2 MET A 150 -8.692 -10.196 -15.175 1.00 1.24 H new ATOM 0 HB3 MET A 150 -9.218 -11.864 -15.063 1.00 1.24 H new ATOM 0 HG2 MET A 150 -11.642 -10.578 -15.215 1.00 1.46 H new ATOM 0 HG3 MET A 150 -10.643 -9.488 -16.156 1.00 1.46 H new ATOM 0 HE1 MET A 150 -11.752 -13.856 -17.040 1.00 2.82 H new ATOM 0 HE2 MET A 150 -10.202 -13.667 -16.187 1.00 2.82 H new ATOM 0 HE3 MET A 150 -11.698 -13.027 -15.466 1.00 2.82 H new ATOM 2273 N THR A 151 -7.980 -11.870 -12.552 1.00 1.07 N ATOM 2274 CA THR A 151 -7.331 -12.958 -11.854 1.00 1.14 C ATOM 2275 C THR A 151 -7.627 -12.921 -10.364 1.00 1.01 C ATOM 2276 O THR A 151 -7.897 -13.956 -9.758 1.00 1.07 O ATOM 2277 CB THR A 151 -5.826 -12.903 -12.135 1.00 1.25 C ATOM 2278 OG1 THR A 151 -5.581 -12.640 -13.503 1.00 1.32 O ATOM 2279 CG2 THR A 151 -5.177 -14.239 -11.806 1.00 1.54 C ATOM 0 H THR A 151 -7.339 -11.233 -13.025 1.00 1.07 H new ATOM 0 HA THR A 151 -7.726 -13.905 -12.221 1.00 1.14 H new ATOM 0 HB THR A 151 -5.409 -12.109 -11.516 1.00 1.25 H new ATOM 0 HG1 THR A 151 -5.615 -11.674 -13.662 1.00 1.32 H new ATOM 0 HG21 THR A 151 -4.108 -14.184 -12.011 1.00 1.54 H new ATOM 0 HG22 THR A 151 -5.333 -14.470 -10.752 1.00 1.54 H new ATOM 0 HG23 THR A 151 -5.624 -15.022 -12.419 1.00 1.54 H new ATOM 2287 N LEU A 152 -7.618 -11.736 -9.757 1.00 0.88 N ATOM 2288 CA LEU A 152 -7.949 -11.627 -8.350 1.00 0.82 C ATOM 2289 C LEU A 152 -9.403 -12.010 -8.124 1.00 0.78 C ATOM 2290 O LEU A 152 -9.695 -12.598 -7.097 1.00 0.79 O ATOM 2291 CB LEU A 152 -7.692 -10.223 -7.792 1.00 0.80 C ATOM 2292 CG LEU A 152 -6.211 -9.909 -7.530 1.00 1.12 C ATOM 2293 CD1 LEU A 152 -6.070 -8.426 -7.175 1.00 1.74 C ATOM 2294 CD2 LEU A 152 -5.681 -10.747 -6.361 1.00 2.09 C ATOM 0 H LEU A 152 -7.388 -10.854 -10.214 1.00 0.88 H new ATOM 0 HA LEU A 152 -7.295 -12.315 -7.815 1.00 0.82 H new ATOM 0 HB2 LEU A 152 -8.089 -9.488 -8.492 1.00 0.80 H new ATOM 0 HB3 LEU A 152 -8.246 -10.108 -6.861 1.00 0.80 H new ATOM 0 HG LEU A 152 -5.638 -10.146 -8.427 1.00 1.12 H new ATOM 0 HD11 LEU A 152 -5.021 -8.195 -6.987 1.00 1.74 H new ATOM 0 HD12 LEU A 152 -6.433 -7.817 -8.003 1.00 1.74 H new ATOM 0 HD13 LEU A 152 -6.655 -8.209 -6.281 1.00 1.74 H new ATOM 0 HD21 LEU A 152 -4.631 -10.511 -6.191 1.00 2.09 H new ATOM 0 HD22 LEU A 152 -6.254 -10.521 -5.462 1.00 2.09 H new ATOM 0 HD23 LEU A 152 -5.781 -11.806 -6.598 1.00 2.09 H new ATOM 2306 N LYS A 153 -10.327 -11.710 -9.039 1.00 0.80 N ATOM 2307 CA LYS A 153 -11.719 -12.117 -8.845 1.00 0.87 C ATOM 2308 C LYS A 153 -11.825 -13.629 -9.000 1.00 0.97 C ATOM 2309 O LYS A 153 -12.611 -14.267 -8.311 1.00 0.98 O ATOM 2310 CB LYS A 153 -12.660 -11.383 -9.815 1.00 1.01 C ATOM 2311 CG LYS A 153 -12.925 -9.943 -9.344 1.00 1.16 C ATOM 2312 CD LYS A 153 -13.554 -9.092 -10.457 1.00 2.38 C ATOM 2313 CE LYS A 153 -13.577 -7.601 -10.084 1.00 3.57 C ATOM 2314 NZ LYS A 153 -14.637 -7.248 -9.115 1.00 4.56 N ATOM 0 H LYS A 153 -10.143 -11.199 -9.902 1.00 0.80 H new ATOM 0 HA LYS A 153 -12.033 -11.841 -7.838 1.00 0.87 H new ATOM 0 HB2 LYS A 153 -12.220 -11.368 -10.812 1.00 1.01 H new ATOM 0 HB3 LYS A 153 -13.603 -11.924 -9.891 1.00 1.01 H new ATOM 0 HG2 LYS A 153 -13.587 -9.959 -8.478 1.00 1.16 H new ATOM 0 HG3 LYS A 153 -11.989 -9.487 -9.021 1.00 1.16 H new ATOM 0 HD2 LYS A 153 -12.992 -9.228 -11.381 1.00 2.38 H new ATOM 0 HD3 LYS A 153 -14.571 -9.436 -10.648 1.00 2.38 H new ATOM 0 HE2 LYS A 153 -12.609 -7.325 -9.667 1.00 3.57 H new ATOM 0 HE3 LYS A 153 -13.714 -7.011 -10.990 1.00 3.57 H new ATOM 0 HZ1 LYS A 153 -14.331 -6.432 -8.548 1.00 4.56 H new ATOM 0 HZ2 LYS A 153 -15.509 -7.006 -9.627 1.00 4.56 H new ATOM 0 HZ3 LYS A 153 -14.817 -8.058 -8.488 1.00 4.56 H new ATOM 2328 N GLU A 154 -11.018 -14.216 -9.878 1.00 1.09 N ATOM 2329 CA GLU A 154 -11.048 -15.639 -10.178 1.00 1.26 C ATOM 2330 C GLU A 154 -10.567 -16.417 -8.956 1.00 1.25 C ATOM 2331 O GLU A 154 -11.117 -17.454 -8.600 1.00 1.37 O ATOM 2332 CB GLU A 154 -10.180 -15.917 -11.418 1.00 1.44 C ATOM 2333 CG GLU A 154 -10.955 -16.707 -12.473 1.00 1.83 C ATOM 2334 CD GLU A 154 -10.181 -16.747 -13.792 1.00 2.91 C ATOM 2335 OE1 GLU A 154 -10.465 -15.881 -14.651 1.00 4.11 O ATOM 2336 OE2 GLU A 154 -9.307 -17.633 -13.915 1.00 3.37 O ATOM 0 H GLU A 154 -10.313 -13.705 -10.409 1.00 1.09 H new ATOM 0 HA GLU A 154 -12.063 -15.964 -10.405 1.00 1.26 H new ATOM 0 HB2 GLU A 154 -9.839 -14.974 -11.845 1.00 1.44 H new ATOM 0 HB3 GLU A 154 -9.290 -16.474 -11.124 1.00 1.44 H new ATOM 0 HG2 GLU A 154 -11.132 -17.722 -12.118 1.00 1.83 H new ATOM 0 HG3 GLU A 154 -11.932 -16.250 -12.632 1.00 1.83 H new ATOM 2343 N ALA A 155 -9.541 -15.893 -8.288 1.00 1.17 N ATOM 2344 CA ALA A 155 -8.962 -16.486 -7.098 1.00 1.22 C ATOM 2345 C ALA A 155 -9.800 -16.178 -5.873 1.00 1.08 C ATOM 2346 O ALA A 155 -9.908 -17.023 -4.995 1.00 1.13 O ATOM 2347 CB ALA A 155 -7.530 -15.980 -6.913 1.00 1.29 C ATOM 0 H ALA A 155 -9.084 -15.026 -8.570 1.00 1.17 H new ATOM 0 HA ALA A 155 -8.943 -17.569 -7.223 1.00 1.22 H new ATOM 0 HB1 ALA A 155 -7.099 -16.428 -6.018 1.00 1.29 H new ATOM 0 HB2 ALA A 155 -6.932 -16.256 -7.781 1.00 1.29 H new ATOM 0 HB3 ALA A 155 -7.538 -14.895 -6.808 1.00 1.29 H new ATOM 2353 N VAL A 156 -10.416 -15.000 -5.800 1.00 0.94 N ATOM 2354 CA VAL A 156 -11.366 -14.706 -4.745 1.00 0.88 C ATOM 2355 C VAL A 156 -12.552 -15.660 -4.880 1.00 0.95 C ATOM 2356 O VAL A 156 -13.100 -16.085 -3.870 1.00 1.03 O ATOM 2357 CB VAL A 156 -11.753 -13.216 -4.788 1.00 0.79 C ATOM 2358 CG1 VAL A 156 -13.078 -12.937 -4.083 1.00 0.83 C ATOM 2359 CG2 VAL A 156 -10.647 -12.380 -4.123 1.00 0.76 C ATOM 0 H VAL A 156 -10.270 -14.238 -6.462 1.00 0.94 H new ATOM 0 HA VAL A 156 -10.931 -14.870 -3.759 1.00 0.88 H new ATOM 0 HB VAL A 156 -11.870 -12.942 -5.837 1.00 0.79 H new ATOM 0 HG11 VAL A 156 -13.305 -11.872 -4.142 1.00 0.83 H new ATOM 0 HG12 VAL A 156 -13.874 -13.505 -4.566 1.00 0.83 H new ATOM 0 HG13 VAL A 156 -13.003 -13.234 -3.037 1.00 0.83 H new ATOM 0 HG21 VAL A 156 -10.920 -11.325 -4.153 1.00 0.76 H new ATOM 0 HG22 VAL A 156 -10.527 -12.694 -3.086 1.00 0.76 H new ATOM 0 HG23 VAL A 156 -9.709 -12.527 -4.658 1.00 0.76 H new ATOM 2369 N ALA A 157 -12.913 -16.054 -6.104 1.00 1.00 N ATOM 2370 CA ALA A 157 -14.008 -16.995 -6.297 1.00 1.12 C ATOM 2371 C ALA A 157 -13.549 -18.374 -5.835 1.00 1.20 C ATOM 2372 O ALA A 157 -14.220 -19.047 -5.064 1.00 1.25 O ATOM 2373 CB ALA A 157 -14.446 -17.000 -7.765 1.00 1.25 C ATOM 0 H ALA A 157 -12.466 -15.738 -6.964 1.00 1.00 H new ATOM 0 HA ALA A 157 -14.875 -16.699 -5.706 1.00 1.12 H new ATOM 0 HB1 ALA A 157 -15.265 -17.707 -7.898 1.00 1.25 H new ATOM 0 HB2 ALA A 157 -14.779 -16.002 -8.049 1.00 1.25 H new ATOM 0 HB3 ALA A 157 -13.606 -17.295 -8.394 1.00 1.25 H new ATOM 2379 N ARG A 158 -12.365 -18.804 -6.277 1.00 1.27 N ATOM 2380 CA ARG A 158 -11.778 -20.064 -5.842 1.00 1.38 C ATOM 2381 C ARG A 158 -11.378 -20.066 -4.363 1.00 1.37 C ATOM 2382 O ARG A 158 -11.010 -21.117 -3.847 1.00 1.56 O ATOM 2383 CB ARG A 158 -10.595 -20.445 -6.749 1.00 1.51 C ATOM 2384 CG ARG A 158 -10.979 -21.644 -7.618 1.00 1.90 C ATOM 2385 CD ARG A 158 -9.838 -21.993 -8.580 1.00 2.03 C ATOM 2386 NE ARG A 158 -9.924 -23.388 -9.040 1.00 2.55 N ATOM 2387 CZ ARG A 158 -10.816 -23.885 -9.907 1.00 4.01 C ATOM 2388 NH1 ARG A 158 -10.809 -25.189 -10.188 1.00 4.67 N ATOM 2389 NH2 ARG A 158 -11.712 -23.085 -10.486 1.00 5.43 N ATOM 0 H ARG A 158 -11.792 -18.288 -6.944 1.00 1.27 H new ATOM 0 HA ARG A 158 -12.552 -20.825 -5.937 1.00 1.38 H new ATOM 0 HB2 ARG A 158 -10.320 -19.599 -7.380 1.00 1.51 H new ATOM 0 HB3 ARG A 158 -9.722 -20.687 -6.143 1.00 1.51 H new ATOM 0 HG2 ARG A 158 -11.205 -22.502 -6.985 1.00 1.90 H new ATOM 0 HG3 ARG A 158 -11.883 -21.417 -8.183 1.00 1.90 H new ATOM 0 HD2 ARG A 158 -9.869 -21.323 -9.440 1.00 2.03 H new ATOM 0 HD3 ARG A 158 -8.881 -21.831 -8.084 1.00 2.03 H new ATOM 0 HE ARG A 158 -9.237 -24.040 -8.662 1.00 2.55 H new ATOM 0 HH11 ARG A 158 -10.126 -25.803 -9.743 1.00 4.67 H new ATOM 0 HH12 ARG A 158 -11.486 -25.572 -10.847 1.00 4.67 H new ATOM 0 HH21 ARG A 158 -11.721 -22.088 -10.270 1.00 5.43 H new ATOM 0 HH22 ARG A 158 -12.388 -23.470 -11.145 1.00 5.43 H new ATOM 2403 N ARG A 159 -11.396 -18.916 -3.684 1.00 1.22 N ATOM 2404 CA ARG A 159 -11.201 -18.866 -2.238 1.00 1.24 C ATOM 2405 C ARG A 159 -12.453 -19.280 -1.467 1.00 1.34 C ATOM 2406 O ARG A 159 -12.327 -19.540 -0.273 1.00 1.56 O ATOM 2407 CB ARG A 159 -10.749 -17.466 -1.787 1.00 1.23 C ATOM 2408 CG ARG A 159 -9.242 -17.245 -1.988 1.00 1.89 C ATOM 2409 CD ARG A 159 -8.589 -16.886 -0.647 1.00 2.04 C ATOM 2410 NE ARG A 159 -7.122 -16.988 -0.697 1.00 2.83 N ATOM 2411 CZ ARG A 159 -6.436 -18.132 -0.575 1.00 3.55 C ATOM 2412 NH1 ARG A 159 -5.102 -18.112 -0.531 1.00 4.41 N ATOM 2413 NH2 ARG A 159 -7.083 -19.296 -0.495 1.00 4.18 N ATOM 0 H ARG A 159 -11.545 -18.005 -4.118 1.00 1.22 H new ATOM 0 HA ARG A 159 -10.416 -19.586 -2.009 1.00 1.24 H new ATOM 0 HB2 ARG A 159 -11.302 -16.711 -2.346 1.00 1.23 H new ATOM 0 HB3 ARG A 159 -10.997 -17.329 -0.734 1.00 1.23 H new ATOM 0 HG2 ARG A 159 -8.784 -18.146 -2.397 1.00 1.89 H new ATOM 0 HG3 ARG A 159 -9.075 -16.446 -2.710 1.00 1.89 H new ATOM 0 HD2 ARG A 159 -8.871 -15.871 -0.368 1.00 2.04 H new ATOM 0 HD3 ARG A 159 -8.971 -17.548 0.130 1.00 2.04 H new ATOM 0 HE ARG A 159 -6.591 -16.128 -0.834 1.00 2.83 H new ATOM 0 HH11 ARG A 159 -4.603 -17.224 -0.590 1.00 4.41 H new ATOM 0 HH12 ARG A 159 -4.582 -18.984 -0.438 1.00 4.41 H new ATOM 0 HH21 ARG A 159 -8.102 -19.316 -0.527 1.00 4.18 H new ATOM 0 HH22 ARG A 159 -6.558 -20.166 -0.402 1.00 4.18 H new ATOM 2427 N GLU A 160 -13.633 -19.279 -2.087 1.00 1.32 N ATOM 2428 CA GLU A 160 -14.849 -19.759 -1.452 1.00 1.61 C ATOM 2429 C GLU A 160 -14.759 -21.269 -1.241 1.00 2.85 C ATOM 2430 O GLU A 160 -14.153 -21.939 -2.107 1.00 4.24 O ATOM 2431 CB GLU A 160 -16.079 -19.385 -2.296 1.00 2.00 C ATOM 2432 CG GLU A 160 -16.236 -17.860 -2.420 1.00 2.57 C ATOM 2433 CD GLU A 160 -17.441 -17.462 -3.281 1.00 3.83 C ATOM 2434 OE1 GLU A 160 -17.214 -16.927 -4.392 1.00 4.78 O ATOM 2435 OE2 GLU A 160 -18.582 -17.662 -2.805 1.00 4.50 O ATOM 0 H GLU A 160 -13.767 -18.945 -3.041 1.00 1.32 H new ATOM 0 HA GLU A 160 -14.959 -19.282 -0.478 1.00 1.61 H new ATOM 0 HB2 GLU A 160 -15.987 -19.824 -3.289 1.00 2.00 H new ATOM 0 HB3 GLU A 160 -16.975 -19.808 -1.842 1.00 2.00 H new ATOM 0 HG2 GLU A 160 -16.345 -17.427 -1.426 1.00 2.57 H new ATOM 0 HG3 GLU A 160 -15.329 -17.439 -2.853 1.00 2.57 H new TER 2442 GLU A 160